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-011-r001	philic-11nov15-011-r002	philic-11nov15-012-r001	philic-11nov15-012-r002	philic-11nov15-013-r001	philic-11nov15-013-r002	philic-11nov15-014-r001	philic-11nov15-014-r002	philic-11nov15-015-r001	philic-11nov15-015-r002	philic-11nov15-016-r001	philic-11nov15-016-r002	philic-11nov15-017-r001	philic-11nov15-017-r002	philic-11nov15-018-r001	philic-11nov15-018-r002	philic-11nov15-019-r001	philic-11nov15-019-r002	philic-11nov15-020-r001	philic-11nov15-020-r002	philic-11nov15-021-r001	philic-11nov15-021-r002	philic-11nov15-022-r001	philic-11nov15-022-r002	philic-11nov15-023-r001	philic-11nov15-023-r002	philic-11nov15-024-r001	philic-11nov15-024-r002	philic-11nov15-025-r001	philic-11nov15-025-r002	philic-11nov15-026-r001	philic-11nov15-026-r002	philic-11nov15-027-r001	philic-11nov15-027-r002	philic-11nov15-028-r001	philic-11nov15-028-r002	philic-18nov15-001-r001	philic-18nov15-001-r002	philic-18nov15-002-r001	philic-18nov15-002-r002	philic-18nov15-003-r001	philic-18nov15-003-r002	philic-18nov15-004-r001	philic-18nov15-004-r002	philic-18nov15-005-r001	philic-18nov15-005-r002	philic-18nov15-006-r001	philic-18nov15-006-r002	philic-18nov15-007-r001	philic-18nov15-007-r002	philic-18nov15-008-r001	philic-18nov15-008-r002	philic-18nov15-009-r001	philic-18nov15-009-r002	philic-18nov15-010-r001	philic-18nov15-010-r002	philic-18nov15-011-r001	philic-18nov15-011-r002	philic-18nov15-012-r001	philic-18nov15-012-r002	philic-18nov15-013-r001	philic-18nov15-013-r002	philic-18nov15-014-r001	philic-18nov15-014-r002	philic-18nov15-015-r001	philic-18nov15-015-r002	philic-18nov15-016-r001	philic-18nov15-016-r002	philic-18nov15-017-r001	philic-18nov15-017-r002	philic-18nov15-018-r001	philic-18nov15-018-r002	philic-18nov15-019-r001	philic-18nov15-019-r002	philic-18nov15-020-r001	philic-18nov15-020-r002	philic-18nov15-021-r001	philic-18nov15-021-r002	philic-18nov15-022-r001	philic-18nov15-022-r002	philic-18nov15-023-r001	philic-18nov15-023-r002	philic-18nov15-024-r001	philic-18nov15-024-r002	philic-18nov15-025-r001	philic-18nov15-025-r002	philic-24nov15-001-r001	philic-24nov15-001-r002	philic-24nov15-002-r001	philic-24nov15-002-r002	philic-24nov15-003-r001	philic-24nov15-003-r002	philic-24nov15-004-r001	philic-24nov15-004-r002	philic-24nov15-005-r001	philic-24nov15-005-r002	philic-24nov15-006-r001	philic-24nov15-006-r002	philic-24nov15-007-r001	philic-24nov15-007-r002	philic-24nov15-008-r001	philic-24nov15-008-r002	philic-24nov15-009-r001	philic-24nov15-009-r002	philic-24nov15-010-r001	philic-24nov15-010-r002	philic-24nov15-011-r001	philic-24nov15-011-r002	philic-24nov15-012-r001	philic-24nov15-012-r002	philic-24nov15-013-r001	philic-24nov15-013-r002	philic-24nov15-014-r001	philic-24nov15-014-r002	philic-24nov15-015-r001	philic-24nov15-015-r002	philic-24nov15-016-r001	philic-24nov15-016-r002	philic-24nov15-017-r001	philic-24nov15-017-r002	philic-24nov15-018-r001	philic-24nov15-018-r002	philic-24nov15-019-r001	philic-24nov15-019-r002	philic-24nov15-020-r001	philic-24nov15-020-r002	philic-24nov15-021-r001	philic-24nov15-021-r002	philic-24nov15-022-r001	philic-24nov15-022-r002	philic-24nov15-023-r001	philic-24nov15-023-r002	philic-30nov15-B001-r001	philic-30nov15-B001-r002	philic-30nov15-B002-r001	philic-30nov15-B002-r002	philic-30nov15-B003-r001	philic-30nov15-B003-r002	philic-30nov15-B004-r001	philic-30nov15-B004-r002	philic-30nov15-B005-r001	philic-30nov15-B005-r002	philic-30nov15-B006-r001	philic-30nov15-B006-r002	philic-30nov15-B007-r001	philic-30nov15-B007-r002	philic-30nov15-B008-r001	philic-30nov15-B008-r002	philic-30nov15-B009-r001	philic-30nov15-B009-r002	philic-30nov15-B010-r001	philic-30nov15-B010-r002	philic-30nov15-B011-r001	philic-30nov15-B011-r002	philic-30nov15-B012-r001	philic-30nov15-B012-r002	philic-30nov15-B013-r001	philic-30nov15-B013-r002	philic-30nov15-B014-r001	philic-30nov15-B014-r002	philic-30nov15-B015-r001	philic-30nov15-B015-r002	philic-30nov15-L001-r002	philic-30nov15-L002-r001	philic-30nov15-L003-r001	philic-30nov15-L003-r002	philic-30nov15-L004-r001	philic-30nov15-L004-r002	philic-30nov15-L005-r001	philic-30nov15-L005-r002	philic-30nov15-L006-r001	philic-30nov15-L006-r002	philic-30nov15-L007-r001	philic-30nov15-L007-r002	philic-30nov15-L008-r001	philic-30nov15-L008-r002	philic-30nov15-L009-r001	philic-30nov15-L009-r002	philic-30nov15-L010-r001	philic-30nov15-L010-r002	philic-30nov15-L011-r001	philic-30nov15-L011-r002	philic-30nov15-L012-r001	philic-30nov15-L012-r002	philic-30nov15-L013-r001	philic-30nov15-L013-r002	philic-30nov15-L014-r001	philic-30nov15-L014-r002	
Factors	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:muscle | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:24h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:48h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:muscle | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:2h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:male | tissue:heart | timepoint:lmnaKO | genotype:lmnaKO	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:48h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:male | tissue:heart | timepoint:24h post feeding | genotype:WT	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:heart | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:24h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:48h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:2h post feeding | genotype:WT	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:female | tissue:kidney | timepoint:tfeb-/- | genotype:tfeb-/-	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:24h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:2h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:brain | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:48h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:2h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	sex:male | tissue:liver | timepoint:24h post feeding | genotype:WT	

Embelin	1014008	976621	911569	902597	891160	908313	895641	858381	894142	912910	873098	877437	911539	894076	964962	960148	1043899	893901	933561	886263	868935	860328	835840	926462	962268	954766	908706	922327	885699	937969	961777	945756	912222	918228	941234	940608	916939	894391	891859	877431	886078	881075	893962	869481	950609	929285	902921	925876	915548	915019	956550	893479	978719	938607	906015	900103	981326	1013698	697611	740133	747015	767308	719623	724069	717865	720896	720786	708066	715174	737979	738606	727290	1053995	1038695	1054462	1049530	1061588	1054073	1066357	1047850	1079411	1025376	1028807	971837	967817	908924	907376	886709	901865	922747	931733	906182	749775	943316	962181	983874	1009468	988565	970860	987166	1040566	988696	1008742	1028146	1068283	991432	956503	942077	1027894	1033123	1051052	1029771	6.17E+07	1124326	982500	989765	973086	979015	999275	991216	1067735	1046850	979967	959134	1027958	1017561	1010305	1005154	1040654	1003735	970000	1016329	1020968	1004555	992991	1005396	1012942	1030475	990785	1008230	1006800	1000890	1003732	977996	983850	1035919	972846	976802	989266	959969	988724	988135	1010234	1024978	1070096	1093569	968249	974252	1081599	1071053	1034015	1060245	1007887	980201	965960	956489	918227	927156	1023904	999528	1003229	998559	979426	965857	996976	994848	997218	961948	874324	838869	827641	815302	819372	828660	874547	845775	913404	921832	844107	825810	835473	834534	851597	821588	825256	798309	873146	887145	806790	844918	920160	852718	862020	883650	830891	835020	862906	891461	855044	838732
C25 H46 N4 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1272827	1370223	1183863	1264594	1256553	1263537	1327565	1287181	1232032	1277807	1195468	1228033	1216270	1211401	3065054	2827813	2850653	2810702	2714361	2779932	2871298	2850174	2703485	2768850	2784900	2751184	2748637	2655234	2694919	2644324	2673060	2793148	2782555	2735029	2471633	3297056	3131492	3062368	3082359	3060855	3123144	3076557	3084636	2973667	3107804	3100229	3030366	3077980	3200393	3112423	3074975	3167912	3221542	3207152	4.00E+07	3329404	1274261	1297724	1272047	1281348	1301750	1297345	1349072	1353544	1319890	1327177	1286141	1281273	1354296	1287649	1317357	1313907	1305360	1318043	1320031	1271411	1240081	1263652	1314932	1295842	1298907	1284159	1292532	1328973	1286941	1275685	1318482	1307724	1328113	1299404	1293115	1308195	1324417	1281794	1240148	1260838	1266932	1254560	1314651	1265488	1240988	1272070	1266505	1281625	1272097	1287328	5149707	5143435	5250493	5050669	5265797	5312768	5329129	5221270	4929331	5045709	5180939	5293645	5370740	5488557	3658370	3522619	3489383	3355660	3387570	3340704	3400586	3486437	3417078	3442459	3414014	3307199	3482521	3456224	3452746	3466147	3503365	3399068	3539719	3391391	3398084	3459900	3276751	3416088	3423471	3348076	3359964	3395212	3609632	3577910	3519326	3425000
L-Tyrosine methyl ester	834644	838325	849067	864332	839939	834431	811846	792943	814590	796089	790190	800839	797211	820699	835394	826520	856211	830086	832190	809249	851391	825369	843030	846340	888169	903748	867874	884922	847690	873232	848413	871423	881436	910054	880593	871414	878741	859184	894157	894679	887590	892261	873231	877001	917247	931544	924247	907812	925672	914021	1080273	1094090	1129006	1075747	1088920	1065392	1134682	1133273	1159990	1163498	1135080	1163634	1153032	1163985	1189915	1188955	1214476	1180568	1184578	1211540	1197078	1194152	216084	206335	196049	197486	194505	206015	200701	209967	219163	215530	222023	210577	206010	216801	216098	222865	224789	242232	245208	251989	385731	547668	575209	589026	603612	602897	595389	621242	637216	629234	659220	659434	668381	669518	674523	661707	683272	688513	690379	672502	3.41E+07	845471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Inosine 5'-monophosphate (IMP)	1172740	1150780	1230350	1286486	573891	581576	1276204	1269119	1122637	1147507	864328	867046	1094022	1100408	1369766	1313481	1294082	1274532	1226150	1187909	760343	775722	1914026	1979224	1137508	1233588	1434337	1427888	1774232	1786884	600954	605652	821282	821010	565020	573422	648946	636647	929142	939685	983804	968603	469504	464897	765873	778351	980569	979699	194454	190963	253842	283123	1205961	1157702	194017	193492	1502914	1551433	4872177	4898854	7157003	7247330	1.45E+07	1.45E+07	5421741	5313446	7115666	7094734	5228618	5219326	1.93E+07	1.94E+07	2546826	2514994	5176565	5061936	4908502	4842128	7665104	7749808	1.47E+07	1.41E+07	7972437	8020526	5542505	5713978	2.24E+07	2.25E+07	1.79E+07	1.82E+07	1.71E+07	1.72E+07	3712827	4209674	2.09E+07	2.09E+07	1.06E+07	1.07E+07	5752256	5675495	1.35E+07	1.33E+07	8600165	8730601	8464543	8439729	4989125	4991211	3580960	3612023	4867011	4808804	9844666	9594153	96512	92499	1866998	1955288	730762	735031	1646752	1644638	440462	449644	1738924	1737055	2156134	2185628	2100149	2061928	626516	617187	1845300	1801100	199089	197041	779033	777288	1698076	1719420	2295516	2322700	1529065	1570420	278389	269355	1936305	1902987	798759	801895	2434445	2408222	647804	648521	555484	547145	458641	466920	1671320	1669120	2209069	2251977	441036	427854	575928	559323	185258	181154	119821	118345	45979	36959	256451	250583	239648	240819	194580	193368	422590	400532	282520	284226	283746	297929	238291	223800	543137	543824	248172	259413	383234	385373	210553	223144	436448	449902	478019	486445	523699	532619	252133	242747	42214	43049	63604	65698	131266	131601	211445	218780
Taurine	7273229	7343681	6976061	6988764	5417380	5318310	7237530	7248716	6848019	6957907	4988087	4894959	6074882	6159813	6427753	6300002	6836058	6656802	6205700	6073814	4630434	4676790	8423733	8688404	5955795	6436619	6291525	6287572	7494070	7689960	2498856	2500115	2929018	2877530	2649989	2570980	2280299	2277692	2833242	2869655	3516110	3606040	2482922	2585012	3545567	3554657	3214696	3283121	1789919	1818322	2672784	2655930	4005245	4024145	1096041	1098161	5360138	5503948	1.29E+07	1.29E+07	1.34E+07	1.33E+07	2.24E+07	2.26E+07	1.16E+07	1.14E+07	1.11E+07	1.12E+07	8004153	8029847	2.54E+07	2.57E+07	1.24E+07	1.19E+07	1.01E+07	9864673	1.17E+07	1.10E+07	1.34E+07	1.36E+07	2.20E+07	2.11E+07	1.84E+07	1.83E+07	7496157	7704028	2.86E+07	2.87E+07	2.37E+07	2.46E+07	2.23E+07	2.25E+07	1.41E+07	1.51E+07	2.74E+07	2.75E+07	2.31E+07	2.32E+07	1.27E+07	1.28E+07	2.11E+07	2.11E+07	1.63E+07	1.65E+07	1.51E+07	1.51E+07	7621793	7724448	1.52E+07	1.54E+07	1.45E+07	1.43E+07	1.82E+07	1.75E+07	6088051	5993540	4967781	4928941	6482982	6549326	5847853	5814177	3533521	3519838	6081954	6075858	6278590	6213704	7149842	7109002	5706368	5724961	7342973	7487660	6943629	7010333	5907474	5922863	6452752	6461212	6597600	6603951	6513298	6553162	4785125	4806671	5599941	5483987	3486906	3534311	6126805	6103484	4669013	4748337	8617796	8807660	3845077	3914400	9377683	9347601	7663412	7476346	4425048	4502207	2215711	2234398	2165819	2105133	3274931	3300832	1885142	1882553	5728627	5807461	2634730	2684021	4187686	4164295	2433882	2340547	3009951	2993584	1761332	1770666	5728981	5630219	7906486	7908496	2668110	2718745	5617860	5496628	6561720	6512255	2456818	2473566	6200793	6189940	2365795	2382587	5376092	5330738	2454669	2467773	5200182	5174799	6350244	6348569	5985796	5932628
?-lactic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6293656	6256357	7869912	8140000	1.59E+07	1.63E+07	5211726	5241829	7708630	7642583	6750911	6386825	2.50E+07	2.56E+07	4137811	3953820	5497397	5180599	3914063	3877784	5634773	5880505	1.55E+07	1.42E+07	1.29E+07	1.38E+07	5136128	5206209	2.26E+07	2.22E+07	1.56E+07	1.71E+07	1.87E+07	2.01E+07	6202303	6714079	2.04E+07	1.95E+07	1.66E+07	1.67E+07	7228005	6837265	1.58E+07	1.55E+07	7914962	8092849	1.11E+07	1.08E+07	5130401	4858096	8226436	8438690	7421014	7219134	1.25E+07	1.21E+07	1.07E+07	1.05E+07	9472626	9596192	1.22E+07	1.19E+07	1.27E+07	1.28E+07	7848944	8005710	1.14E+07	1.14E+07	1.06E+07	1.07E+07	1.28E+07	1.27E+07	1.22E+07	1.20E+07	1.37E+07	1.37E+07	1.18E+07	1.18E+07	1.25E+07	1.29E+07	1.27E+07	1.30E+07	1.21E+07	1.23E+07	1.25E+07	1.24E+07	1.00E+07	9750027	9493794	9430256	6997583	6936211	1.17E+07	1.15E+07	8726414	8560594	1.23E+07	1.21E+07	7689318	7808611	1.57E+07	1.54E+07	1.31E+07	1.29E+07	8779030	8999989	1399298	1426425	1326873	1333288	1127787	1148425	797995	781803	3643229	3753291	1933430	1982404	1644638	1640944	1241095	1221634	2310259	2318007	724198	734001	3107002	3105481	5295447	5375297	1652434	1656788	3364812	3250772	4163965	4185842	1249548	1236525	3116699	3127035	1367579	1386912	3130501	3069238	1132131	1116697	2764035	2745654	3505030	3454686	2400617	2305092
MID42250:(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-tri	1	1	1	1	1	1	23211	1	1	1	1	1	29950	1	126499	1	1	1	1	46910	1	33565	1	1	1	1	1	1	82418	1	35024	1	1	1	1	1	1	26956	59620	1	1	1	1	1	1	1	1	1	1	91142	1	1	1	1	1	1	1	1	928232	1021108	882222	932054	931967	937915	971954	944811	928330	929556	902777	881856	937848	898520	2369338	2161028	2178951	2119464	2057223	2094420	2103465	2117438	1948850	2043319	2061656	2018999	1955095	1959475	1950361	1932452	1927710	1982458	1991252	1981929	1615521	2256244	2228888	2137191	2228655	2186902	2206957	2236869	2201063	2187766	2179681	2195393	2168600	2162164	2277535	2189446	2188723	2198904	2284858	2224827	2.02E+07	2419870	800810	792420	804824	792851	815795	816361	834566	819419	815071	826044	809696	817507	846852	827065	834915	820411	783555	833235	823787	792367	776836	789001	780160	807166	773047	777204	816534	797800	786490	781226	803862	741867	801801	751496	780141	824480	811644	788018	768682	828807	804441	806138	829367	828028	807579	796244	799033	848814	799623	832665	3721215	3696420	3679094	3640882	3598078	3733224	3779528	3695996	3843842	3811300	3695426	3657044	3807991	3756143	2502632	2386324	2305411	2284143	2301530	2321157	2351513	2395773	2300530	2380643	2291772	2286722	2333860	2383726	2364808	2374526	2282331	2278294	2284773	2366400	2288402	2365182	2182256	2354303	2332677	2309424	2314355	2309836	2457671	2397844	2475462	2396562
C33 H59 N2 O8	595809	611082	683128	662412	707981	676369	590923	634641	610682	621938	657085	635982	572373	565764	556308	558061	464889	535456	528445	539268	626806	638802	643017	673527	792838	799939	751691	777329	718546	765188	750159	737384	748331	748590	863297	882369	785517	756949	745080	750679	754502	742311	753229	752442	706779	720545	734246	766871	792053	843432	953970	924845	883480	887455	900918	882918	796225	788697	576755	609366	570615	575920	590023	573906	607189	586232	589459	602090	555896	573715	552587	545036	1237336	1246302	1262906	1314152	1257730	1292225	1372184	1381728	1175407	1311708	1345209	1310159	1330217	1296424	1220799	1272722	1288872	1335242	1345188	1361890	949413	1284213	1242560	1344905	1362684	1467784	1492844	1476312	1504480	1454090	1564386	1531840	1495271	1556561	1584350	1589710	1519557	1509643	1579945	1545091	2.08E+07	1774904	607762	620018	637958	646666	575405	612097	641096	640971	634672	657153	584355	607107	645122	654050	654011	641166	659538	616485	605893	616816	581329	581668	617866	616131	620252	620806	626662	619781	611591	617297	633481	625094	657812	632498	653595	684223	649545	609019	624547	635204	587039	592648	647700	652566	590731	587019	605524	600756	620505	611746	2805485	2783419	2746549	2837613	2673430	2691992	2707758	2699124	2136630	2143635	2646507	2653986	2802947	2764945	2454629	2179260	2000090	1881526	1936529	1884466	1785367	1761769	1644045	1675417	1752113	1698406	1765042	1692031	1708096	1753994	1772909	1731109	1756172	1742342	1835523	1785265	1558881	1653499	1700374	1657170	1726703	1769262	1776176	1669925	1539182	1532979
Allopurinol-1-ribonucleoside	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5879826	5858868	2913816	2841546	2194230	2661690	2510497	2492624	1886026	1898833	1596850	1573885	1.40E+07	1.42E+07	3741544	3538837	2591782	2546927	3695472	3670260	2595731	2613943	8157495	3455567	1.39E+07	1.41E+07	486559	491747	1.47E+07	1.51E+07	4453734	5015975	5174727	5315831	1	1718196	7685239	7604752	1.75E+07	1.74E+07	2946980	2953969	7247683	7108426	3200369	3317932	3336994	3301125	901424	890141	8932717	8973197	6647598	6463761	4074353	3958315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-(Pyrazol-1-yl)-L-alanine	1435723	1437932	728482	747769	260954	264434	998209	1005968	594277	656342	376379	369539	701932	695157	827583	769328	1223036	1178831	882489	866328	440254	454387	1122515	1112887	427851	481896	1093419	1096470	1337048	1342288	62954	62875	104068	106728	78653	71103	76758	74660	130412	122069	80302	84182	65953	69677	84017	72982	124449	118281	28880	28082	65487	66801	173454	169527	26435	31934	158328	148562	4340126	4292093	5045087	4912558	1.01E+07	1.01E+07	2287316	2256344	4004179	4006230	7122334	7137219	1.56E+07	1.58E+07	2989474	2849249	3251449	3161124	2339626	2847291	4830064	4829944	1.53E+07	1.46E+07	1.24E+07	1.23E+07	7947509	7868596	1.44E+07	1.43E+07	1.17E+07	1.20E+07	1.50E+07	1.49E+07	5827389	5809177	1.35E+07	1.37E+07	1.33E+07	1.36E+07	2771238	2788758	1.04E+07	1.05E+07	4452046	4503285	5742854	5685454	4736043	4829402	5880410	5931265	4755690	4738619	6468015	6266075	362240	393795	433240	429730	311731	317146	611055	639644	193325	197644	427945	434818	524447	533796	469367	460467	360509	358911	560296	530118	429588	430367	413881	403410	750542	687073	444487	432649	691867	626418	352165	355595	469204	449539	225290	234400	373141	370508	248757	248759	517941	535616	221188	229857	605903	566776	516338	474547	238406	239882	330896	335912	194682	185666	178876	182613	123994	116335	762084	745146	281780	276467	302422	303607	285530	276218	383104	388086	193629	195140	586924	534527	1085340	1046960	365742	369460	641067	549231	665577	679471	308564	314185	658427	582978	196262	189370	672740	650547	156355	151010	509646	520305	638852	589279	684825	626515
C13 H17 O4	62254	63774	57117	63259	62260	59176	60418	56497	55194	57544	52468	54977	62373	56369	67112	65711	68116	62125	60232	55261	60889	59596	59698	62380	67170	65404	65195	64850	60723	64776	68853	65900	61788	68015	63831	62674	60453	63523	67639	54695	59802	62555	60040	66105	68909	68861	62678	67559	67260	54647	66338	63180	72615	70150	67901	66640	68238	72387	51437	49431	48766	52424	46382	47944	48283	47675	49285	43234	47573	47856	48496	50929	69211	69064	73815	63885	64150	70547	66827	68583	68399	69323	67344	63235	55459	62484	58735	56676	58561	56029	57660	52278	51515	65104	68541	65980	68563	63550	66996	70310	68711	65694	69699	70076	72056	69718	71166	67387	65801	71629	75099	73313	1.34E+07	79071	67749	72382	61346	64418	67292	68438	70794	77805	64132	68936	69853	72588	67279	64743	73024	62293	65524	66080	63888	64043	69041	70869	74657	68767	74687	71479	74908	68773	70681	73101	70170	74497	77032	73143	70199	67902	69496	74426	74219	74012	78084	81556	68265	70805	78589	73024	77344	71631	73634	70268	67598	62569	67935	61686	70863	65725	69389	71355	65913	64484	67549	68763	67899	65526	63251	56826	57317	62758	58559	58945	57269	63509	65090	61815	57191	60888	54205	61441	57178	57136	59391	55498	57511	62163	60732	60479	64650	62364	61356	63239	57863	59782	60500	62330	62798	59170
C19 H45 N20 O3	564791	582299	630262	617194	618351	606315	546400	574274	583297	572844	595130	569308	539878	519723	510472	513224	449851	520722	495101	517003	567266	584280	573900	614458	691208	712152	698423	704998	652351	677156	680497	666882	677002	688652	782093	817068	694753	689314	686247	691995	682374	681080	676691	681929	650792	669542	682260	707547	722382	735480	802478	803323	773958	771615	768394	767723	745224	712453	572820	594143	542419	559679	569308	565844	577405	580274	561641	582980	540697	537501	549425	538241	1181552	1173765	1207437	1234096	1211295	1223217	1253743	1257098	1150811	1266779	1295841	1240473	1243720	1252486	1203060	1226229	1210693	1220867	1256301	1259017	827581	1147229	1176656	1259098	1265538	1315109	1353929	1348509	1354406	1337643	1365961	1371048	1364993	1380567	1410611	1408498	1376287	1385940	1420155	1390859	1.56E+07	1581169	510319	495942	527340	529637	480197	510038	534017	524610	523691	525692	505719	512231	523786	532267	514571	512257	532252	507404	511341	514179	492902	500959	514725	523048	500970	503859	521506	520198	508472	512207	521954	508472	526218	522161	543189	543280	526438	506191	504340	526149	489028	495354	541262	527130	487089	490812	511737	511494	519412	510994	2542258	2532609	2485761	2508272	2457095	2461293	2507661	2546449	2499822	2500242	2461275	2447151	2596430	2553378	2286403	2031901	1873665	1779440	1718591	1714280	1681949	1651263	1584444	1595596	1575712	1609532	1619403	1608630	1633447	1676291	1636252	1607601	1639234	1638857	1652895	1617785	1538934	1608283	1614775	1557648	1604753	1629788	1674868	1636960	1585079	1561869
C17 H20 N2 O8	1090684	1130087	1433798	1439687	650356	619318	371913	365434	1034660	1022461	603308	608840	593298	600257	577240	587822	659576	704230	530239	558621	754133	840667	478435	519591	276136	296181	778271	769094	470318	484058	1	1	19728	22042	213579	216896	41706	35509	238688	244421	42557	44432	27734	25539	1	1	173318	186647	17087	14252	47650	52051	279095	281031	25814	25228	136677	138772	1424726	1624602	1286397	1284074	4143413	4190106	597271	582970	1613404	1597056	1535210	1527641	3665485	3505866	1052864	1044154	1145699	1137313	491611	497440	1148305	1137521	6450379	6614059	5023241	5005594	1782959	1759128	3732951	3820378	1.18E+07	1.21E+07	4550897	4558420	2025070	2233306	4696552	4548627	4286528	4349321	2224764	2157090	6242737	5993270	4917902	4843644	3377283	3331631	2632293	2509371	1310504	1317542	5180242	5127132	3521104	4065416	8533	9149	1	1	1	1	1	1	1	1	7603	1	1	1	1	1	1	1	1	1	13937	13007	18288	21167	10888	11611	1	1	14157	13851	12382	12687	1	1	1	1	1	1	10010	10027	1	1	1	1	1	1	1	1	1	1	107974	102673	503391	511801	1	1	1	1	125887	134132	399612	397419	274135	286085	316211	308654	790873	789927	299566	304692	579783	567229	141097	137695	460169	444546	142742	141683	346345	346044	1200725	1205851	345565	334365	313842	312084	237122	246436	14237	15600	256402	256810	462674	451551	307156	313252
?-lactic acid null 0.915454	1	23560	1	1	30642	1	1	1	43232	1	1	1	34567	1	1	1	1	1	40381	1	1	37484	1	1	1	1	1	1	1	1	155099	113717	203895	189873	135657	154588	127936	100520	212139	219174	100339	124488	99174	137235	152255	133201	237548	216436	47435	51876	49168	53105	244010	229701	59434	44722	183035	195778	760149	785456	667054	608480	1033531	1006906	878106	828728	752138	739827	693461	705417	1303413	1304416	1013096	881471	789696	803888	958518	805278	924372	971658	1538860	1419588	1278109	1329860	764885	678336	1529028	1551216	1488369	1549962	1337488	1294193	498081	602111	1208149	1220000	1553313	1542071	1202779	1210868	1888337	1884051	779244	959443	1474904	1470018	587212	539452	1292350	1295391	1323109	1175650	1400899	1398716	45766	50890	21632	60137	65052	61690	22874	20802	32060	29001	20758	7798	16264	97491	34337	26891	24588	27493	21535	14650	27260	22445	13601	18438	16324	16317	34308	1	40632	34099	39361	16428	12514	10691	85084	83096	38012	33709	34197	19437	35686	42679	43804	55832	70937	58769	18755	19686	77417	83422	109324	117696	128434	139330	141635	149759	69425	66492	317833	303255	159167	148713	56832	60517	107198	102220	256596	241260	92999	21944	68492	74780	321334	289659	148151	165743	90187	78954	289123	78507	107269	112562	287376	288496	126372	106436	237035	64174	109058	41330	45163	71337	13605	99235	286735	251919
Alanine	5973934	5872626	6376620	6234560	4079124	3767934	6446145	6406734	5892316	6199872	4659452	4635816	5197324	5336351	4756661	4744595	5891318	5957351	5220121	5067128	3217827	3169206	6390585	6557719	4406687	4684809	4725587	4753901	5865037	5951617	96833	99261	125614	125569	137010	132752	93412	107219	85522	84210	120641	116251	114022	117139	159087	159265	100874	100094	73004	70056	44385	48238	147103	138828	46083	48644	147350	138811	6104258	6072363	6523180	6493523	9720928	9820470	5521456	5431674	5786171	5872982	5263748	5285887	1.36E+07	1.36E+07	4531614	4378372	4789702	4770546	5290719	5365854	6968535	6944508	1.12E+07	1.08E+07	9704512	9709225	5083276	5108662	1.30E+07	1.30E+07	1.11E+07	1.15E+07	1.14E+07	1.15E+07	5456823	5252266	1.18E+07	1.18E+07	1.08E+07	1.08E+07	5003358	5118078	9363605	9394712	6881395	7008935	7040294	6980543	3921210	3994551	6408726	6578827	6172342	6184355	8297353	8153980	872274	845880	841449	826016	953243	970041	1247762	1271403	497455	491909	1248028	1293496	1031267	1028602	1310963	1306326	901319	923427	1339445	1346453	1099306	1115648	1024283	1055138	1167654	1177748	1384668	1357416	1157371	1171538	793906	838418	838809	813441	597438	583050	1244748	1225454	666264	659851	1121075	1107037	558670	570201	1462386	1482566	1528109	1520003	672887	666042	472849	464777	443227	438936	380427	382446	312225	309997	1053745	1028569	415317	418830	703718	692975	370769	361915	519553	522107	261390	262912	777677	743781	1614106	1566170	480431	495263	725904	734282	1107211	1097452	402570	406954	902155	905458	290764	299555	743830	737047	457843	451701	642845	657422	779907	825443	922877	889422
967.008@0.68811125	8334568	1	1	1	6599634	1	4087728	1	1	3951784	1	3124384	4987352	1	3110651	5842887	3462900	1	3635577	1	1	4653896	2569092	2651777	3007073	1792300	1	3056015	1	1063069	1	2320747	1	2860375	3094227	3527074	1	3555304	2985557	3063325	1	3415892	3792514	2679695	1	1760172	1	1251010	1	1018401	1	1	2040697	1	2138739	107017	1	2247157	1	1	2696819	4113247	3224157	5781343	4429207	1	1	1	4792848	1	1	1	2084877	3108676	227997	3267789	1773337	2968091	3048610	1877535	1	2870893	2791406	834834	2093596	2725825	3116038	3151449	1.73E+07	1	1	3238598	44345	1	1191496	1157870	949480	1208949	1591441	1497522	1459228	1	1664321	1	1446745	1	2816652	1040910	1075375	1	1	1	2092447	1	1	1613916	1752490	1	1	1	1031578	1	1	1	260909	1	1	1	1	1	1	1	1	1	1486120	1	1	1	1	1	1228071	1	1413656	1	1	1	1	1	1	1	1	1315591	1353934	1	1	1	1	1	1	1	1	1	1	1115428	1	1240194	1	1	1	1	1	1597669	1	1538803	1	1611006	1	1	1	1636058	1	1	1	1	1	1	1	1	1	1408146	1	1452501	101513	1	1	1	1021203	1	1714321	1514365	1	1	1	1	1	1	1525122	1	1	1
5?-Cyprinolsulfate	8867468	9220595	2521162	2575263	1164355	1137980	4668951	4551355	1.13E+07	1.06E+07	2948824	2954219	5650735	5573024	6144297	6271497	4298799	4179358	4879970	4914103	4535571	4592388	4817792	5139945	3578027	3613587	1.99E+07	2.00E+07	7394829	7787126	1.61E+07	1.59E+07	9662121	9667568	2.36E+07	2.35E+07	2.35E+07	2.31E+07	47765	49372	2.36E+07	2.34E+07	1.01E+07	1.00E+07	64996	69682	1.72E+07	1.78E+07	4864039	5011537	2436643	2673027	2.40E+07	2.40E+07	2134380	2081852	14982	7669379	2130983	2257542	2913076	2987564	2315017	2350043	4150189	4069270	1635713	1642056	303735	310400	5099629	5004458	5248158	5139798	1614353	1609711	6224615	6251598	5561929	5500073	1213383	1189835	1647978	1585263	696801	685543	3546006	3637085	4833294	4979783	1867612	1887925	1185638	1384418	4593852	4589566	4215400	4251874	6132221	6113814	1.06E+07	1.05E+07	6625757	6564191	2437771	2455394	238401	239080	3907913	3965232	3513352	3439456	2737988	2983955	239069	242405	151180	161161	269460	277806	118314	112532	460697	451106	295588	299482	160733	158894	1167334	1187569	258673	257657	270909	267559	447333	446789	648299	651549	161252	166485	463403	473737	704161	716422	1156964	1174215	342313	343987	3268546	3261850	1865934	1826599	1116917	1110919	898984	889628	2261890	2266249	501415	498907	150494	146424	3384788	3373037	2787221	2742781	1326194	1336224	1294605	1294502	5215409	5152811	2439363	2466904	1043350	1048127	2947974	2936759	986457	962647	890812	877836	2286815	2285661	1887296	1900912	2090855	2068735	796720	781538	1510324	1480054	1224927	1216412	1570612	1585028	1206896	1210048	916609	907915	1503045	1484904	1293998	1294696	920166	943001	1915580	1896879	1107564	1106830
268.0808@2.6356907	1034443	1041877	790040	818677	572032	609155	817381	809478	1010457	974018	465928	484996	633193	589913	447860	453562	952223	967735	564473	574049	441373	452638	375259	404068	443094	493692	622252	656914	843925	880985	51592	47152	83908	84244	122705	126383	54844	52829	77456	80357	98258	95084	45933	46336	49875	48978	44892	45481	42561	47328	1	1	103057	101331	20522	18215	84651	94933	1	1	1048155	1	1	1	1	1	1	1	1	1	1	1	1	1	960735	922711	1359370	1351587	924469	910064	2562464	2487649	4768370	4491119	454406	455601	5056571	5098039	3154932	3162919	3425381	3447073	1	797876	2842021	2849718	5851396	5709280	1109337	1106207	2511689	2572606	1229296	1232728	1313247	1302349	331948	338156	3272708	3294833	2373365	2296717	1	1538140	912357	937556	345853	349329	815537	831839	565332	558889	449294	442050	538260	548559	331547	331781	399605	394346	784594	800165	558130	547902	1081162	1101517	809780	831392	582183	587278	505902	511572	583527	576409	871416	882145	289150	289130	445649	451987	335241	322852	644220	638828	1088333	1101427	464021	472574	1060024	1076528	483821	473475	577769	586426	129930	124759	202307	207054	400441	385878	284108	272415	846774	831673	272543	253832	617520	603188	188634	199271	468405	461789	152640	159232	850365	857370	1376453	1232644	343995	355822	845117	840285	1188743	1195070	199244	189789	919839	936319	138242	137454	967477	934397	417042	420694	795350	777267	1009218	1033214	1071379	1056932
Creatine	2833267	2769921	3089712	2967965	1811077	1680226	3301254	3375250	3141818	3057328	2269912	2146892	2479912	2532813	2167677	2126392	2856579	3018357	2585815	2630736	1495781	1513843	3469038	3568162	2218650	2384200	2481474	2490831	3183551	3306532	44404	48641	55138	61419	60569	57013	46881	40231	39573	37570	48517	49627	48002	50084	75155	69508	46647	46340	28090	29583	18733	19035	62762	65826	20366	21225	64398	65045	3140948	3119842	3448676	3476213	5530108	5539080	2684792	2629797	2867581	2875555	2520990	2532912	7921932	7809658	1978641	1954786	2205228	2221357	2534220	2500036	3528991	3663094	6479901	6373611	5472216	5553857	2600518	2616763	8076304	8126302	6842633	6979604	6927817	6920149	2730628	2906932	7364148	7278317	6366333	6513415	2672686	2630801	5261214	5202287	3782052	3723260	3606831	3662069	1946968	1914724	3264222	3285518	3103068	3135960	4349994	3999069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.9799@0.79106516	1961071	1791305	1530950	1614049	1473530	1503197	1218466	1194233	2036048	2049263	1641595	1681241	2082049	1622233	1062643	716251	3038161	1959788	1468200	1307531	1383344	1594996	595148	654658	1463106	1400220	991930	971547	722114	675404	4687712	4708429	4800355	4956775	4874925	4946952	5029758	5115733	2606681	2644219	3857073	3891270	4121479	4242787	1513277	1524369	2263155	2348540	5368425	5491122	3611812	3493237	3001551	2868067	7419275	7342802	5326886	5225925	3586508	3515359	2479254	2500315	3026107	2873082	2951365	2931328	3308616	3424377	2641936	2452297	2962146	2920433	2586014	2495116	4927900	4966503	4755618	4065518	1816723	1971267	689148	531494	2610921	2678769	2894415	3124984	3390803	3500263	2521365	2959411	3690210	3659148	1209738	2571124	4202742	4138998	3554537	3750816	4702465	4525147	4104435	3812664	3825243	3951836	4648278	4593796	6035836	6099649	3314522	3376273	4509923	4626838	4476526	5099576	4875303	4961047	5684164	5886037	5767081	5848867	6813213	6860308	6349681	6306537	2498734	5634225	4970992	4903893	3679659	3658899	5568193	5537209	3813959	3795644	4057250	4000443	6103432	6230054	4801699	4871396	5921441	5898296	4252108	4216668	6587916	6639595	4791706	4844304	6541072	6513373	5457053	5584904	5305066	5173561	1567883	1455639	5156182	5037481	4954630	4916776	2845108	3601844	3838476	4192445	1170160	1210478	1507955	1466100	1521368	1537331	2834811	2842027	1683741	1689984	2041963	1957540	1574726	1630306	1540261	1571639	1499240	1461022	1463380	1496050	1319844	1258335	2043658	2059926	1846456	1786506	1002406	992120	2804866	2797556	1429027	1451635	1838555	1753297	1473381	1511429	2376369	1800706	2427265	2445578	1438545	1441685	1188015	1340691	1269514	1274320
C4 H2 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7651438	6727787	6871294	5759647	4983276	5071275	1.23E+07	7204220	7231266	7344185	7168962	5602172	5741942	5689187	6678346	6462392	6306915	7428963	7596160	6466278	5722039	4619161	8085561	4035810	4268949	4564988	5701686	6950280	5178928	3965168	5239701	4686535	6270514	5827842	7067805	6565019	5458352	5561335	5435080	5739391	8325834	8281575	5964196	6346748	8153994	7949717	6612585	6602424	6905671	6890432	7326846	6654236	6691159	6695855	8940030	8052485	7704861	7647955	7561019	7779201	8093190	8374016	1.00E+07	7581645	8308095	8689706	1.02E+07	7389028	7298906	7834063	9048068	8581237	8839980	8012823	8465762	7482644	8166552	8155033	8283727	8058345	1.01E+07	8741341	1.02E+07	7644536	8073166	8602903	8536994	8870344	9372752	8843212	8849464	9099633	1.05E+07	7806019	7885151	8549178	9924655	7497651	8540320	8361957	8686024	9299793	8270828	1.04E+07	8268844	8881819	8670125	7919777	7452489	8033379	8092713	7307207	8272802	8207098	7826549	7098082	8165848	7599297	8437335	7522275	9096732	9020651	9426356	8071886	9160767	9205014	7816750	7759093	7417094	7507447	8850987	8737389	7813854	8603719	8346978	8546856	8735656	8818000	8784728	7642122	8897258	8928272	7720513	7747380	9652836	8705735	7827136	7850261	7659742	7693200	7815916	7746319
Allopurinol-1-ribonucleoside nullnullnull 1.5458727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5880423	5857241	2909878	2859352	3897344	3421623	2511241	2480439	1886026	1898833	1597114	1573885	1.39E+07	1.42E+07	1	1	2591782	2554279	3697806	3671315	2599312	2615616	3999663	4424556	1.39E+07	1.41E+07	843710	875618	1.47E+07	1.50E+07	5341628	5326895	6165342	6066739	1	1718575	7728236	7611251	1.75E+07	1.74E+07	2956928	2943306	7244164	7122005	3200371	3309688	3336098	3301125	901424	890141	8950934	8970516	6646902	6446382	4089212	3957874	1	1	1065168	1086184	2508367	375318	412802	481314	240498	260821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1622902	1	1823428	1	1	1	1	1	1	1	1	380248	1	691415	774327	277857	246433	617267	724839	1	1	1	1	1	253477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H42 N6 O7	324829	335192	356843	321805	337509	310391	307642	305876	315142	309246	298316	306812	300255	295039	302360	302376	271913	288273	276819	285939	300362	309614	330360	351577	352799	349664	345041	363655	349025	356036	335180	348876	353942	350283	454693	450340	336591	344431	386427	364830	373777	359825	352514	356213	356132	370388	339375	374393	352609	365004	408463	385821	402906	387583	376347	371497	368158	362523	338092	373837	326110	349333	336673	329746	351744	342335	337001	329216	311715	311409	322968	311800	773080	724830	726761	713029	687845	713019	715062	705243	675750	707306	699883	695794	701424	674569	679139	668232	672428	679237	688974	702887	557788	753314	750161	740324	749923	711677	732294	748831	740489	734269	727691	740747	710499	723003	744848	735613	737936	751257	738827	758219	6955851	765257	282531	282531	286928	287573	287564	288098	293745	311630	285249	293456	293522	273371	292706	307299	281611	286839	289325	290477	295418	283913	286586	292720	287365	273699	288794	287278	287663	292137	285362	270125	282025	274497	276167	272153	281481	292514	285954	283435	267360	281019	272567	278387	275722	282758	270015	262816	273633	286180	279515	283509	1209247	1202984	1228753	1193980	1194198	1222587	1229397	1207332	1235873	1204176	1180085	1212709	1234796	1222693	842236	798714	820800	759550	772019	786681	780855	838869	795440	807782	793533	748342	820365	803213	812803	819702	830110	788771	815559	796804	765867	796311	766936	787361	749224	775736	778081	829123	821261	814245	813326	840511
Trinexapac-ethyl	144131	140871	148821	146452	147756	143918	134991	144107	130774	149105	138299	135234	130046	132567	125977	143679	135056	141566	122853	133030	138175	133362	141874	142778	135480	146019	139926	135868	138351	145388	153386	147236	153582	147806	142244	152746	139685	142189	143496	147992	140212	144108	133167	149477	142180	140655	147631	138749	145537	127953	147774	134626	135946	131926	140019	127870	120982	131314	66634	68041	74112	64110	66749	64794	67139	69156	69193	71376	62125	60451	68855	62122	157463	162077	157596	141457	149740	145233	143429	140909	122942	139531	134576	142277	141151	137761	137787	144431	139378	146065	154547	139358	116052	146038	137683	147962	135295	144875	135955	135487	136965	126979	144960	153205	134530	142639	147856	149075	137397	141214	141680	149281	7038458	157888	160251	175136	167886	165803	164862	161948	160876	158684	173287	178202	156538	154499	160299	162749	170314	164702	158681	158694	167912	156980	157268	145025	162011	159653	161522	151153	119712	106114	135501	136527	167714	149778	153637	157357	165222	165462	120144	125595	162141	156416	165221	158626	178242	162147	147942	165688	145196	141521	182150	160837	157802	147545	156883	151690	154052	164230	154847	157074	157125	150121	156978	148295	144213	156519	91850	85257	84164	68127	90990	99093	103070	99005	96877	96082	92493	92173	100568	99131	94952	90781	95520	98623	88370	101605	91304	96758	85136	98178	85076	88115	91934	86768	92906	90051	90392	95218
Aniracetam	1.13E+07	1.17E+07	1.20E+07	1.26E+07	5851889	5704700	1.20E+07	1.15E+07	1.09E+07	9781876	7032557	7008207	1.08E+07	1.03E+07	8612179	8813718	1.20E+07	1.20E+07	1.00E+07	9953470	5099892	5379233	1.44E+07	1.54E+07	6051365	6249120	8738216	8734540	1.12E+07	1.20E+07	71636	70180	119449	125569	59451	63168	87126	84303	136657	133659	138928	140435	74067	73224	82164	75052	145414	142029	13547	14175	42167	43509	288404	290972	22102	20925	301388	307431	652155	676030	1235455	1264814	629249	631914	535208	530637	429629	422731	738428	742037	2364192	2332602	1042958	1008393	926162	924994	785792	772722	2746215	2683592	5946941	5934443	6027920	5921656	1320122	1251039	4346478	4283854	3189173	3405331	2582891	2627335	1789870	2094615	5706528	5592722	6729746	6917675	2032712	2035156	6774761	6425998	3255332	3209129	3913124	3891281	1567847	1562678	3183392	3206338	3578754	3619539	4698393	3915531	448013	451812	498929	503524	711259	731761	730186	741129	111262	111974	623381	634644	544373	562701	509834	519699	275911	272411	786714	800373	604228	610400	428779	433316	658580	685451	506817	521388	657533	673779	512904	512595	450578	446700	258075	268874	549670	564797	361082	362114	1205381	1211136	207938	209003	1181884	1177942	518454	518354	266022	274247	57961	63624	128683	126117	210836	210046	49645	48167	588992	596855	75445	76678	559722	569689	63784	62850	106828	105856	80496	81653	996025	979307	781321	775024	211914	213484	249322	251289	470113	486265	288708	287697	591308	598076	45043	48818	658757	652778	86164	93093	251630	262805	180732	190022	726768	724794
3-o-Ethyl-L-ascorbic acid	2033704	2056052	2028553	2077415	1578721	1502461	1874965	1835059	2257786	2386055	1337983	1335056	1544355	1546611	1633433	1558554	1363146	1348836	1894340	1834284	1356976	1418745	2895705	2988326	1775169	1887818	2221161	2255087	2366512	2349234	34245	33291	78146	80188	522187	523082	81032	77341	576892	570978	164808	167779	55132	49284	40966	42116	441068	456201	62873	61039	92458	99507	690847	680335	39257	32656	546856	528742	1080444	1015386	1845914	1804687	6938948	6828269	695038	674219	971187	955987	1180674	1157437	3278143	3260059	467931	402889	1437477	1394710	457225	432420	1354082	1373802	4962311	4724443	3683035	3740257	1029923	1042810	5664839	5648328	4791004	5042452	3819462	3834981	1635359	1056478	5379131	5332302	3841048	3863092	953389	958721	6341181	6282253	2017013	2051279	2162761	2164011	1199319	1261364	976979	1059272	1451441	1444564	4186128	2896655	149284	156374	14414	12586	26946	28605	20349	23629	67018	65936	106798	95740	18165	15180	20812	19796	20897	21044	69280	76453	229251	225574	389410	384019	109370	107520	17727	23666	127821	123060	86809	87405	21443	17797	31167	33180	20089	21198	99331	95733	15354	20607	18305	20128	26983	15505	28842	23950	26183	28219	1043784	1006321	918535	893341	103216	102009	69528	75994	715972	703507	1150538	1155462	1302608	1273307	1227645	1210466	1535411	1492085	792658	795772	965314	1007762	2279447	2269306	1420818	1376273	1371299	1344484	2199174	2264365	1184596	1173623	2267311	2291644	1228833	1211505	798344	804447	78620	79880	711256	729485	1847296	1849556	982147	999603
179.9855@0.79079866	966189	845273	714986	778470	688788	698821	606375	608978	835241	792876	628581	712965	956462	690573	587701	473585	1585727	804115	659004	560237	715479	774040	379628	384627	731222	727037	584401	564884	461700	448927	2583651	2585836	2620349	2578926	2670307	2589482	2625017	2609086	1443801	1428680	2082460	2129750	2336269	2436785	869913	973439	1361076	1410604	3337334	3240185	2145415	2046310	1654983	1593732	3866869	4011780	2902298	3034356	2215767	2256806	1615764	1528073	1854500	1836874	1857397	1831631	2240368	2305801	1676045	1652807	1933960	1992454	2061554	1858795	3249752	3242353	3015191	2157195	1045577	1121806	505062	364825	1550103	1762144	1754410	1815263	1784334	1886284	1303295	1624959	2122152	2100071	1032901	1501067	2420901	2499058	2126438	2123788	2756703	2707816	2286711	2274187	2404700	2451998	2868801	2744604	3549820	3621729	2043972	2065360	2665094	2640690	3167918	3182463	2065999	2048317	2372232	2496517	2376427	2359892	2895884	2911209	2788183	2776520	1097579	2402286	2025155	2025442	1524895	1559965	2246570	2307759	1603998	1590481	1686570	1674145	2691924	2653181	2045968	2077707	2561819	2581201	1817349	1816300	2773156	2740826	2146234	2054208	2760089	2737872	2329211	2374782	2263823	2283466	633079	642496	2404289	2448549	2130840	2172102	1563458	1626745	1845889	1837864	678838	662639	761268	756260	847703	827782	1469023	1515439	859676	850770	1125107	973824	824639	802778	775783	779729	779824	782444	810455	823056	690237	666746	1001412	1003155	862736	882202	582157	578666	1316418	1299948	714841	714992	864303	835995	739059	755934	1097854	856240	1236246	1199781	757137	726990	630190	690879	669263	659307
Isokobusone	853256	611897	59226	129744	51281	34460	29688	46130	134024	89573	201650	248626	1138310	472828	1254487	814276	1827351	692249	875782	282799	312706	303313	57456	85812	51669	85415	54677	40499	43406	50708	25314	68331	41290	23705	64246	11098	35594	65739	55067	115806	77584	42011	71662	29850	84371	81885	125941	70150	61520	47075	45824	33039	292756	127110	72387	47766	93684	73600	28168	27951	39899	32965	40657	21985	49055	18939	12790	31443	43366	31577	51874	20902	23986	38272	16803	41395	22763	47363	38201	69288	336328	148601	86000	40321	33944	14739	35568	7462	40506	36711	43714	25080	13970	27609	85086	41883	86269	47858	45977	40325	84975	59823	44864	41918	222295	67407	24244	28457	130626	72866	54623	51374	4974176	48463	41531	64101	34121	35152	44109	53548	66996	50596	52306	44563	75974	45341	68254	69727	87946	81890	38916	54509	69296	85513	68517	59525	72010	75792	69634	86164	58520	90890	70689	81438	61487	66171	70173	45956	42834	71152	73371	74330	47799	64861	198580	34845	63652	57943	101482	106081	104046	64623	49556	52278	64516	103053	105850	41197	82478	40137	48932	54067	90712	71715	222937	186413	71767	54546	38822	46947	44734	47341	42120	37673	34981	21257	42022	26700	28791	44067	52086	31781	17582	33852	52352	24130	58128	36154	35993	36030	205647	29906	57790	32067	94934	13166	78359	133650	42617	53990
C27 H53 N7 O8	203634	212253	224854	221997	214787	227559	206955	215451	208704	206216	215171	216318	190360	191892	184124	190718	158609	187086	179801	187340	204666	211271	207730	231283	243726	260387	249115	257931	240717	253907	239752	246759	253632	254485	275924	297144	256698	252121	245763	254316	242470	242767	248319	234230	238655	242889	233594	255448	257971	260579	294266	286837	281807	274556	273984	275793	256844	254572	202830	213470	198850	206135	209908	206545	207549	204984	206281	203029	199743	195478	203163	195635	425998	425663	443834	454506	423394	446429	456025	486410	418679	471605	460467	452886	453420	457782	438591	446892	453161	456946	448844	459658	291148	415176	429052	468604	465745	474175	489824	503585	504794	488650	503099	503736	486597	512870	501241	518974	520190	517269	524964	500073	5491214	565901	189582	184561	194272	192526	171431	189029	193962	196097	198318	189761	184749	182290	189380	193393	184150	193707	194899	188428	193278	185168	185709	175808	182139	186760	182456	190874	183153	185331	181320	178845	194553	182765	192330	185704	190920	195379	194456	183653	190347	185254	178521	183111	196762	193679	180889	179465	188885	184903	190799	181544	932757	909624	897055	924800	897745	902670	916367	899857	898932	903442	872979	864459	919790	913998	806023	723462	660354	633026	602425	622435	615061	588370	581168	563307	573747	564497	582038	585836	579760	599825	574339	561711	572969	593470	585633	577607	538245	571758	580186	564753	571365	580122	601344	589877	574735	564555
967.0077@3.0919995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2284994	1	1	454279	1	5357465	1899492	1	1	1	1	1	1	1	1	1	497458	1	1	290476	1	1	1	1	1.25E+07	1	1	1	1	1	1	1	1	76836	1	1	50779	175216	3803007	51457	880421	1	1	1	1	1	1	48792	349161	72793	1	1	1	1	1	24277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
F-Honaucin A	2928736	2925275	3478460	3744302	2691925	2656238	3387085	3194229	3331124	3641486	2668612	2636608	2738262	2731474	2395023	2217528	3809013	3521192	2801951	2539986	2277271	2439868	2787084	2891355	2889035	3048141	2921713	2837113	3551884	3644903	483041	486966	796081	841126	325556	335050	462928	459475	681633	679462	807458	780943	421997	410238	187071	186542	669781	714795	173079	187502	76036	80352	1183404	1155780	243228	238873	1054563	992153	1083819	995518	1235066	1252892	3011407	2860266	644937	636485	1025366	1011105	1039385	1049093	4275425	4300159	492315	459792	1199598	1169478	851698	883237	1370706	1407909	3394426	3200423	3091179	3147484	1016526	1016910	4585308	4697009	3604163	3761394	4719436	4620023	955286	803689	4674949	4496526	4026739	4033159	1305267	1229992	3491426	3390867	1577101	1588741	2367188	2337583	865348	890738	1369721	1357228	1363536	1335589	3373224	2433218	1979520	1968282	2022731	2073028	2480566	2446990	3103958	3093237	1296911	1321784	2393445	2375836	2420857	2370094	2471092	2423973	2534573	2619559	2739014	2681592	2186130	2161296	2605226	2703172	2663761	2708556	3033493	3068610	2450449	2451869	2170012	2183006	1889718	1943760	1490716	1512778	2633674	2725340	1699441	1661052	1939611	1827873	1278923	1310933	3510008	3512823	2382997	2403576	1435818	1475334	169932	165759	166810	168865	126535	126751	85891	83802	904320	908898	320892	320246	333773	341696	131865	135238	399627	381703	61943	64463	764490	762164	1479799	1507223	248183	253736	794900	782312	1300650	1324073	142623	142141	881327	862840	159767	157715	798942	719474	128980	124574	646786	670550	888034	867813	503091	509029
3-Fluoro-cis,cis-muconate	3497969	3549663	3580843	3481007	3601742	3501586	3286121	3371410	4392268	4347225	3956888	3933611	3851719	3837353	2587282	2478932	4236954	4033127	3765161	3738341	3272797	3239136	2417359	2543314	3832657	3997038	3225197	3176638	2757276	2822170	3390640	3344225	3560192	3591075	3506177	3513088	3465897	3393016	3074809	3103764	3523413	3463848	2926783	2979446	2329950	2353050	2797906	2881367	2887257	2983545	2092431	2165089	3244179	3175538	3325351	3340866	3898904	3782833	3709048	3748552	3315667	3314792	3843484	3859873	3682739	3651578	3832527	3825077	3216536	3198176	3875406	3799885	2867908	2670973	3891653	4003322	3850842	3952843	3297728	3455026	1966025	1842280	3194164	3297756	3169615	3144435	3049056	3063967	2969455	3035829	3488162	3566375	2224048	2429917	3762855	3680929	3885994	4034908	3766107	3728093	3603168	3561354	3486489	3564058	3758643	3761954	3932243	3832228	2684065	2754695	3596284	3541610	4654203	4433129	639223	632858	670721	671428	742292	746274	757197	774672	642479	626236	674068	681808	667415	660663	574542	554603	717938	719686	583494	573792	632311	625278	779146	764968	694019	700095	771902	794149	628248	624182	798667	786919	654488	658171	795220	768873	793293	798174	708214	700885	462267	452919	595186	599345	809542	814748	596379	599348	589708	595500	433400	434581	464102	469515	407745	440130	539017	550859	493520	493875	547014	539200	456424	460051	493582	498784	613685	606486	482002	481161	594775	598502	628074	641734	625804	613272	525392	514584	773208	759349	512746	514063	653596	664291	530225	528298	636660	623512	424585	421546	596260	590078	483065	497091	502777	490596
Inosine 5'-monophosphate (IMP) nullnullnull 1.2435035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4638205	4670479	6692912	6779838	1.27E+07	1.27E+07	5146964	5049056	6686689	6658596	4982341	4978104	1.61E+07	1.61E+07	2500295	2473117	4956447	4845553	1444118	3925067	4429233	4143781	3806626	3154635	2609285	2234283	1955492	1724891	1419360	1202606	1058507	917103	825438	734412	248732	277931	1.72E+07	1.72E+07	9810268	9824423	190720	5479334	1.21E+07	1.19E+07	8144890	306677	320161	370241	354984	377328	351847	369826	407383	398760	1	553780	54027	53608	1875764	1964711	62177	57990	1704826	1677866	62027	62089	1755951	1754281	2156330	2189916	2108208	2085294	64488	67951	80312	81996	57535	60347	63762	64230	1733808	1757408	2294685	2320460	1564327	1600431	61987	61228	1961629	1918471	70596	70045	2429616	2407345	70865	73930	63597	62141	67785	68794	1718992	1699360	2232217	2255625	67609	66037	647953	621519	59027	54296	49296	65680	61993	59102	319058	56614	49821	45073	61728	69060	458871	432722	311592	316457	316173	330574	39500	263148	583293	578640	281762	295699	418789	418947	251487	270151	471508	483552	523052	532812	560270	571933	285236	273059	30460	31892	36500	36271	164297	167174	254187	256522
175.9638@0.79084295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1251952	1274686	1044325	1001675	1267275	1239323	1244911	1227155	1342173	1349114	1011893	957719	1214406	1202092	835382	847822	1489674	1425276	1361681	1402898	955794	966448	547815	574596	986234	1040248	1045104	1059802	1159829	1251027	899394	1040229	1159979	1174052	968394	742122	1425396	1327040	1328271	1247499	1391190	1357856	1192198	1191433	1135215	1168213	1256672	1292034	1551098	1526871	1017370	1010234	1292869	1196765	1470287	1460010	2498367	2407674	2546762	2569924	2453180	2450258	2539666	2584260	2203462	2138974	847760	2065559	2060584	2069725	1842255	1779370	2188207	2197278	1847786	1739001	1941060	1915805	2254140	2212095	2052647	2057507	2120901	2140521	1836304	1819952	2322515	2364166	1940472	1936897	2352347	2291054	2301791	2280446	1952896	1936744	1508109	1489449	1810888	1816338	2099963	2067182	1029845	1704969	1721703	1768887	933843	976574	996624	1038168	1072458	1036386	1371412	1300880	1052326	1046444	1110053	1139437	934902	1082181	953269	950563	988512	940856	878305	898564	963398	926388	857649	985633	1050001	990043	830233	684995	1276062	1250434	921479	879733	1031152	1038454	962669	979793	1058755	919275	832628	835487	882076	876949	795933	772175	810941	828761
Thyrotropin releasing hormone	108345	113633	112241	102162	105193	105338	95726	95842	99136	102830	103186	100447	105160	105049	99320	103830	107166	101371	104290	103034	102141	106152	100728	112427	120976	124361	125009	118116	112439	124493	133168	125645	130943	128675	125589	123841	122826	119391	119447	116811	123184	118690	119975	111850	127035	125778	114911	117146	123629	135850	134760	119266	130595	133641	130277	127611	136768	145935	70400	72232	74415	80375	72152	74753	78902	76786	72029	68834	67120	63613	67278	71579	104168	100944	112992	102479	109130	114182	117032	116674	126049	131452	125651	115733	108971	102919	95480	96680	93776	106783	95021	98692	96427	117657	122152	109127	116881	123983	121904	110291	115896	106336	106606	113107	123499	123934	114195	110018	119885	122147	118698	117842	3406209	128865	131794	144460	133839	132541	144745	149811	149300	151122	145697	145914	148317	136393	146245	140473	148126	150551	146073	135432	148668	145194	144662	159586	151396	145049	153141	145823	148112	141967	139051	148009	149817	145764	140073	141030	136989	135544	142090	131499	143009	146459	144033	146420	135695	129739	148282	147434	147916	141971	139770	130743	124988	124055	119267	127570	141942	133763	134848	142483	137296	133433	142959	138023	136520	135444	131138	118971	115039	117576	118428	114019	125427	127093	136834	138519	124238	123802	120089	123554	116057	124720	123670	113952	126562	120826	117072	115931	133563	130642	130612	135481	122868	124836	117415	125085	132093	136708
C22 H41 N3 O18	100518	104995	131573	133045	61799	57733	182186	182969	146667	146759	70493	68737	82031	84709	119180	111146	129552	128183	135428	134891	38094	38673	201242	214963	100068	105300	92743	90374	161962	162369	11445	11562	31322	31331	36179	38688	12161	13120	46506	48415	13779	12634	18333	20172	17828	20498	25541	25930	1	1	1	1	76301	70703	1	1	59782	60050	479339	480900	336525	338163	938998	907332	141046	138608	226232	228245	99644	97780	971903	976388	195248	191191	236641	233202	203670	194043	367237	371039	425222	409244	771147	813987	145796	146431	3111819	3108065	2070014	2129987	651294	647022	128432	156246	1163457	1170786	1065477	1085408	417423	420214	1412398	1376976	295743	296396	361817	361523	79557	77511	698410	721501	525160	508507	422585	459589	21679	20585	22086	22374	23678	24387	33452	37089	15399	18084	36187	34315	42765	39434	64716	61574	21773	22710	33887	32516	21535	19184	20963	21012	47834	45550	25141	26012	45410	44037	21400	18973	18748	21173	30199	30425	61646	62391	38003	37180	37528	36463	22313	21107	56627	56098	45045	45814	35831	34440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.019@0.890171	287597	281852	261293	257463	153533	150697	282639	297768	270068	261863	157146	152372	211799	218070	215276	211627	236100	243895	220784	228555	118652	125409	393110	402243	207386	225287	213037	216930	312238	317991	35724	38092	59022	55398	36596	45066	32050	29408	52820	56521	75856	80211	30933	28027	57342	57755	55386	61050	13213	12029	34169	32614	88220	83000	1	1	175136	175634	1146011	1160083	1200729	1240851	3046012	3043275	823336	800543	733700	737900	397546	383987	3165436	3172710	721381	711815	505899	511432	782853	625617	996501	1042500	2575997	2637512	2096978	2212257	361781	363206	3615229	3628171	3161491	3299118	2822259	2848234	1255733	1340723	3579499	3586457	2909959	2929189	868671	869789	2568958	2526447	1525594	1510845	1280629	1222609	291151	282155	1185896	1236601	1120891	1097039	1497135	1466584	214048	209855	151818	155893	312751	308452	214158	227807	68375	73026	232488	226654	226958	234385	261491	268548	198920	206197	280657	273431	265019	259492	220416	212125	237658	230979	252652	245254	210191	217343	157150	150995	171280	171347	82000	82550	215876	222748	126853	128720	399490	402747	80542	80451	531877	541721	282437	263873	101425	104974	46111	51470	35384	37129	61342	64738	24294	20333	197503	203801	42941	46785	85541	87856	40235	43646	70018	65035	26299	24825	209591	210490	405180	411629	53445	52200	199960	197352	271334	279728	44391	45332	252389	256474	46549	44212	191414	194539	32025	29859	170426	175517	271513	277569	212000	212330
339.252@4.8825965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	393525	391816	383154	373383	382283	360293	379968	364449	367411	371539	360671	353295	364625	350882	815742	770004	760279	761401	728044	724506	744586	738766	715344	710699	694724	709302	698409	701840	689417	707420	705367	699462	719013	699746	527779	788926	798255	782833	776993	799227	770563	781737	788906	759143	791833	763625	766458	754377	773957	757746	811617	787382	782588	791864	1.95E+07	829256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12648	13750	14371	13827	15468	13196	13550	12027	14956	14906	15055	13453	12864	14251	8035	1	1	7931	8369	8152	8536	9093	1	7817	8042	7731	8144	1	8950	8192	7861	8616	1	7194	7708	1	8325	1	8724	1	7612	1	9957	7945	8313	8247
<none>	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2641741	2648987	2919644	2999527	1966216	2012640	3229267	3259213	3282578	3300296	3425344	3445252	1605430	1612486	2516318	2476087	3345368	3310675	2885336	2833726	2489004	2597812	1776488	1765872	1996711	2011888	3073196	3095872	1162202	1152529	1443897	1467555	1555937	1534157	2201068	2148892	1721184	1747579	2020247	2080746	3537717	3544852	2370315	2342255	3049015	3122168	3225194	3238581	3938448	3928344	3196110	3254584	3423804	3357024	3525482	3410377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H2 N2 O5 S	2933937	2905428	2949663	2907666	3142971	3080618	2724743	2703237	2841425	2907503	3131048	3069519	3010614	3028566	2890352	2863688	2744944	2699301	2799423	2733564	2949128	2937758	2558353	2645746	2938436	3114120	2903520	2954028	2707665	2757272	3420617	177971	3377808	3405518	3443150	3389773	3526167	3437077	3467130	3446722	3384125	177794	3479756	191394	3493103	3535770	3395609	3552854	126792	3603004	3924798	3801678	3919036	3854189	3908962	3880740	3777133	3678078	1993036	1924619	1893888	2005931	1602594	1515967	2189734	2141154	2053058	2101821	2098635	2002351	1038962	1001558	3105862	2942249	3043138	3005727	2367632	1470311	1120476	1283109	917764	991033	1270245	1401711	2025843	2146640	1026489	1016162	1369824	1458219	1398827	1497590	2513258	2582963	1753759	1813619	2048044	2030969	3028774	3070053	2335638	2294260	2786613	2836709	2816560	2814816	3064816	3089547	2814485	2825292	2911107	2884625	3695359	3091055	2899134	2992839	2980444	3044534	2922871	2954746	2989618	2935517	3019686	3089114	3024339	3004701	3034601	3019036	3012728	3016596	3034280	3034063	3009609	2969117	3021251	2975980	3038904	3027185	3001515	3006023	3058584	3057633	3014194	3035056	3074650	3033379	3082570	3048311	3092907	3000275	3001674	2940465	3025871	2978766	2799902	2828973	2968085	3001239	2853268	2824988	2973224	2909393	2939584	2952834	2941356	2941374	3108386	3027673	2925199	2992746	3188140	3226913	2866444	2877331	3092692	3088843	3161820	3169474	3261984	3307331	3174511	3185478	3298690	3293150	3144043	3199335	2989736	3048541	3353575	3290392	3237982	3175483	3138024	3146280	3361566	3345997	3187221	3146755	3421384	3253054	3315874	3266160	3556764	3481968	3191010	3380349	3252596	3275500	3258970	3257895
159.0196@0.9355413	2757572	2758116	2642208	2816326	2901003	2836315	2728736	2746104	3621668	3308198	3095086	3049698	2966061	2946728	1935129	2068678	3524593	3464242	3079273	3040393	2648504	2695088	2053547	2113833	3039824	3299024	2619095	2588279	2264092	2293283	2765835	2767017	2988815	3001337	2885704	2878437	2782062	2826711	2604536	2616852	2892078	2886371	2377181	2428666	1941037	1948484	2345439	2405107	2338145	2386434	1708948	1685181	2646979	2619636	2672495	2679475	3211114	3219816	3051387	3045353	2651305	2657186	3221759	3170037	3035754	3001038	3116978	3076083	2593820	2560190	3233906	3268639	2304594	2140122	3188115	3021990	3084175	3127704	2603786	2698261	1610185	1510704	2601854	2735951	2497334	2483378	2548342	2546207	2397626	2469852	2851995	2809024	1721093	1924465	3143748	3115657	3330580	3424502	3006649	3056584	3046869	3018180	2814477	2900925	3124053	3096922	3207615	3172021	2278245	2311603	3010318	2933649	3902736	3657449	486618	488392	522587	523278	562263	568272	586512	583880	478450	479654	499360	518406	499811	502246	442657	426481	545542	552494	441084	440152	481034	496371	590010	596996	535575	542714	604675	614135	465270	462249	604936	618144	511805	496296	617312	615676	613141	619331	540853	551474	368555	370377	490936	501174	671591	671443	488274	481516	489718	492324	338666	342471	373337	368107	331055	341976	446699	428331	406654	404011	433229	447405	387121	378749	396249	386391	472847	464506	395648	392865	486400	486833	496611	495838	484950	480051	407531	386644	597014	599597	386793	393118	503953	490416	395995	409354	482714	493628	309386	310293	473948	464334	373989	379542	379553	375879
967.0076@7.658998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1213307	1	1158228	1	1	1	1	213213	1	1	65958	1	1	1	24271	1	347457	1	1	1	1	603891	1	1	241300	18087	1	1	1	1	1	1	36192	46667	1	52129	16046	23264	155750	1	37761	1	33677	1427928	1	1	1	164792	1	1540127	1	1069127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-(hydroxymethyl)- 2-Furancarboxylic acid	1	1	12377	1	1637836	1	12033	1	1	12637	1	1	1	1	1	1481240	1	1	1	1	1407995	1455401	1	1	1	1	1	1	1	1	1309324	20964	1379776	1307437	897970	885872	1160924	1150259	1226610	1209210	1254552	1256058	1297963	1338884	27537	827708	1452400	1445429	745958	743409	391112	409852	1602539	1521712	691575	652465	918982	948812	1419061	1353292	1740782	1707563	1972405	1922461	1032445	997362	1595128	1577305	1525282	1535579	3603802	3614952	1450117	1338570	1502839	1472418	1168903	1165246	1285815	1370682	2056945	1995406	1972525	2018661	1372151	1387656	2730935	2736562	2028779	2166767	3169975	3114762	2043553	2054515	3968296	4020438	2837909	2881769	1683924	1733577	2348347	2674281	2018802	2028953	2653458	2627008	1438323	1431856	2062725	2073347	2065922	2009422	2508773	2868181	23709	23938	29775	27118	20344	22263	19520	18073	22710	24045	28142	23605	28291	23387	25227	26621	28317	19334	26280	28012	34274	35264	23960	26054	24747	18714	27026	33642	27562	21860	22230	34114	26810	31411	36492	37494	25648	26382	42918	41360	22426	27015	22359	27736	35389	34740	21642	17624	36225	38593	50768	44325	44627	47589	46807	46318	32591	26932	67995	65461	36374	38695	69991	60465	36159	36021	44412	44184	39430	39727	73762	71930	65685	59876	40702	40510	105423	108829	58358	61084	37703	40250	53810	46348	32478	36697	57358	60126	30471	31185	58953	58453	76621	75704	68923	65583
C25 H45 N5 O4 S	13958	13141	17469	14481	17204	16140	16342	15668	13579	15656	14910	14502	12401	14015	12373	14340	11397	12334	9566	12862	13279	12056	16249	14947	21916	20298	19535	20866	15810	21486	17596	21125	20754	20148	23689	24518	20953	19936	19325	21070	21112	20381	20490	17708	16277	19107	18707	21435	21582	23714	30700	27091	25301	27323	24789	25533	23500	23344	1400813	1544813	1335264	1465514	1498640	1473749	1490357	1468256	1495191	1492773	1402166	1394357	1323457	1313499	1520559	1297780	1388002	1385219	1309950	1338055	1395756	1374909	1145746	1282775	1262193	1247745	1258066	1292455	1200147	1130249	1210655	1297715	1325587	1344361	1333016	1485964	1514790	1501173	1439303	1471241	1563436	1499655	1474760	1419303	1562767	1416544	1482654	1479535	1546075	1536022	1434959	1485388	1537175	1517327	3261249	1629615	354464	328609	365789	372196	348086	359935	374089	374724	367136	391481	362595	364459	381393	388158	365733	360801	363812	357872	333949	354650	321834	335418	356723	364210	345491	333675	352406	366974	350876	355163	350606	360528	374524	371386	389363	359321	375149	358519	358857	350748	315396	340326	345305	378916	337250	325902	338514	343846	361349	354890	236225	218579	267504	231422	225928	224308	253309	217674	204550	193721	234768	226647	233577	224594	188087	180008	192396	171088	195236	175716	183037	172190	163815	164178	172762	165664	173266	167740	173073	175640	182020	173435	165266	171544	185202	168747	158152	174838	171432	173763	164794	168857	176502	165832	154659	154309
C39 H70 N3 O9	112468	117620	132090	127153	135791	131255	112998	107462	104296	107857	126548	126065	104202	102832	96025	94737	69167	90009	86461	91861	108225	119092	108864	122323	152396	150348	144578	147547	131417	135681	139621	137187	146457	147617	179043	176483	157323	157478	149640	148847	144697	144255	147393	151440	138112	136668	143642	147611	165215	171599	196502	195945	171987	182293	194849	194686	164799	166219	64591	66361	58870	63008	65893	64651	68711	67359	69552	68013	67442	65734	66657	63366	17314	16828	18490	17413	26687	25959	19142	20628	15599	22333	31190	32647	26780	27738	27984	31373	33456	37717	41227	41602	89478	107809	90644	95917	99951	107577	100007	101662	98619	99364	107580	111370	102034	107245	117482	110262	109602	116222	121284	119147	3222649	195519	130768	126209	134641	132854	109607	115866	127217	132513	134352	133707	122316	121094	127381	122369	131047	121913	123806	126526	118002	116189	104116	117546	118132	118650	118108	122679	122511	117278	112319	114641	127855	121979	133457	122008	126172	132393	126932	128452	116717	121495	116622	117440	131268	130120	109900	113318	119583	117619	122170	123035	578912	578648	575834	584486	546964	565233	562356	545996	294472	303867	544358	556710	558661	549069	682115	657307	641517	641735	650311	659621	575092	577238	505212	495304	575054	554598	526281	508180	498724	508682	543797	525839	486152	490991	538265	520492	415353	458632	452298	474627	479705	488697	465278	456231	371105	371879
6-alpha-Maltosylglucose	239219	240325	282735	284645	194146	193680	352836	360752	300686	316484	195262	194730	224590	224689	313221	320936	271725	272510	339191	331652	152753	145732	377698	388450	261597	287970	238009	247098	325347	326261	1608123	1588752	3527776	3560884	4129598	4085108	1842142	1843661	8262560	8226948	1527024	1547549	2493879	2566016	1745067	1741551	4022990	4123139	863411	872661	688154	738477	8924389	8850105	927323	929352	6394043	6348093	1174523	1171596	782403	791482	1410645	1387872	407955	401709	602879	601994	298690	290903	1022962	1021969	636860	620163	747253	738118	522875	520089	732510	749465	511964	491555	1069156	1088442	398179	404363	2710709	2674749	2134882	2201943	706634	709834	333361	374460	1268647	1251726	1287487	1291459	1165676	1168616	1971636	1952351	582651	584123	737602	735947	289478	299259	1616725	1635641	1271426	1243276	1064294	906435	47806	43303	55547	52794	42273	43808	54424	57888	65061	63521	54822	55222	77293	76014	92416	93198	47410	46338	52824	52533	37699	37683	43397	44291	75836	74078	38718	36392	76500	83082	48129	50026	46435	44856	109672	107069	105322	106407	108444	113587	61946	65468	87121	82675	68468	75096	66380	61923	110408	106701	1	1	8101	1	1	1	1	1	23030	22718	9011	8876	8380	7628	1	1	12807	13133	1	1	1	1	1	1	20689	18283	1	1	1	1	1	1	1	1	1	1	1	1	1	8208	1	1	1	1	1	1
Embelin nullnullnull 10.008071	130181	128365	129594	129099	138218	116912	125826	109195	122835	167511	116646	133142	127890	129915	131064	118431	127996	133907	124254	111538	112118	114652	114801	112405	130985	128272	127276	121181	143205	168959	122232	123030	139742	119585	121189	141345	124149	133277	137969	126529	126003	120794	116172	161973	152836	129618	133874	135510	134440	156902	143223	154843	169198	155876	174526	140624	161056	165212	125954	174926	135480	157471	166365	144571	141851	154402	147205	145906	134410	162823	168881	134936	55273	13481	23203	19543	14889	20461	12370	16752	20192	28001	72246	59982	16739	15438	25606	43019	23065	26342	27965	23563	37994	33676	45472	50205	52496	86715	64676	49670	58931	49983	54842	43637	56945	49844	47778	51130	63003	58562	63658	133385	2828920	61563	130255	99824	100350	108970	118728	111139	115502	105666	116474	102842	103851	111155	143101	141549	104671	115037	100362	106636	110459	112214	114105	111591	98468	167742	114421	103064	103654	109009	99024	94115	98274	105412	94533	104765	125661	91290	103938	123915	122465	104413	117921	117954	101899	121378	164495	119280	120020	118531	131857	94917	112980	102486	108736	105685	185322	120415	125063	133045	125634	122469	122448	127487	120106	142618	142687	145717	162334	146156	143536	155585	174650	170389	156534	173254	161512	156489	140221	156451	181951	167722	174350	153635	162478	158468	173103	140074	196152	161356	151580	183980	150635	165218	174065	149930	173742	155652
C7 H18 N5 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1319691	1305450	1425819	1412548	2182172	2055113	1122467	1101310	1210873	1218925	1059061	1062950	2753460	2754398	860936	838834	901974	913468	1076013	1122321	1518080	1497366	2402383	2311228	2090151	2138275	1046948	1022866	2379690	2339706	2226653	2243088	2429398	2379960	1165700	1153419	2501838	2501676	2373656	2364227	988300	1011494	2042437	2035135	1541171	1579709	1551585	1558449	743771	773823	1335232	1389057	1333031	1346060	1767702	1840300	76372	74189	62119	64950	98001	94522	122795	131225	23287	25076	138681	133229	99075	89930	138806	137431	77149	78083	148743	143158	110977	103819	89467	91552	115144	113207	147289	133041	111553	115444	61594	56506	63232	63904	32068	30337	109038	107286	40987	39260	111784	114065	26207	26069	156869	166940	157091	157948	44189	38338	27899	23318	20969	19535	15329	15190	8452	10031	76900	80614	17944	16246	38814	43178	16850	17230	27430	26308	9604	8922	44136	44667	161798	161896	26134	25018	41571	42583	93660	95306	23340	24830	68580	67565	13079	13036	43381	45081	25087	23580	36494	37483	46251	43876	68773	67677
4-Acetamido-2-amino-6-nitrotoluene	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	311034	287219	405709	384934	432907	413881	177636	179125	163782	169036	528945	516876	1069842	1122248	185065	158863	406704	407011	280173	265845	450329	485406	2035157	1907547	1899723	1892116	767603	743643	1305025	1307775	1198185	1308730	1438915	1458245	148126	372267	1775278	1743542	2248953	2329179	356119	355366	1837096	1846631	521009	543371	836189	831893	602440	599046	953518	951007	656097	615345	969487	906761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	576628	541311	741522	753733	811152	770638	496186	505666	285082	288259	339199	338322	1987693	2001525	333898	298304	647242	641127	712470	746686	1297951	1429300	2937454	2901945	2041775	2106452	506637	516530	3070679	3051041	2102989	2293817	1824440	1842541	295639	582433	2644285	2633937	2264543	2298398	796949	774962	2227731	2158064	1131210	1153003	1080216	1096014	426492	422081	1049192	1083221	947791	917093	1322423	1425246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H N3 O3 S	1120553	1116924	1090953	1080472	859763	836430	1120804	1066791	1075014	1078925	764368	793102	991238	1005863	956615	948039	1050941	1043156	987041	968631	716710	711470	1195132	1255791	927884	1014811	950138	977310	1121963	1145027	441907	444004	551178	531468	485222	478118	400785	411815	532143	526597	640967	656449	438943	447527	591960	581559	572267	570086	289612	287510	407571	402267	668157	651692	122261	128165	970059	1024713	2004083	2003567	2139828	2135598	2528206	2624843	1946551	1930218	1857646	1896907	1358538	1393121	2316175	2346388	1666889	1591864	1697969	1662814	1952034	1737698	1988038	2009495	2384542	2307018	2358831	2329368	1219378	1234946	1939323	1955759	2092757	2130910	2113165	2221030	1800921	1857350	2570045	2643562	2653853	2693827	2091587	2082723	2710424	2705528	2508782	2539338	2375609	2398151	1286813	1339462	2326841	2352655	2370816	2322420	2966340	2755213	954590	945725	819624	859003	1026330	1017743	1015758	1026305	570071	571098	1000871	1019996	1021964	1018543	1120982	1089050	944128	933447	1141387	1159858	1094194	1114050	1025677	1016987	1078005	1064228	1122239	1135945	1028586	1038390	830404	821961	902278	896912	628647	636727	1080973	1079200	797248	802528	1218965	1215364	635403	637919	1428893	1462317	1236859	1221214	711117	715789	351788	359831	339753	330187	456880	457446	285936	295267	788526	816551	389624	393539	657920	671010	360657	348576	468426	459087	264095	261918	841063	816130	1163011	1139686	403987	404676	793485	774179	961406	954400	371267	374984	878009	861796	350434	362783	771425	779700	433575	420823	762839	739517	907503	937484	824209	833945
SB 216763	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	884426	871311	1219378	1224418	2016558	1967672	983988	972328	1216024	1222755	927362	947626	2386156	2459939	485127	472843	867397	841321	821962	826187	1162873	1153531	1830727	1757356	1184423	1181491	909096	893340	2247645	2166256	1979264	2000699	1973583	1933412	606641	711538	2277393	2318122	1504910	1509211	927211	925793	1738370	1739974	1283297	1300562	1263512	1266724	821143	814678	614720	631517	808647	783918	1483498	1429487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0078@3.6059997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	542328	204381	2087076	1	1	1	1	86292	1	258463	3178078	1035983	6270256	1	1	1	1	272510	183326	1	1510194	1	1	1	1	1	134406	1	1	60729	1	1	1	222908	1	1	38450	1	2245874	1	226438	1	1	1	1	1	1	1	1	1	128378	2127265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.0514@0.85283214	311625	299052	185806	166805	80001	89966	181584	253909	161152	167190	106938	114501	175924	176395	179218	172863	254011	242501	206871	212460	126992	127945	199113	225439	100260	117098	243022	234948	257810	270741	25330	23547	38436	40070	29785	28387	31635	32167	47176	51305	26547	31406	25926	31859	31564	30141	45947	46594	12462	13019	25157	27558	65032	59332	13461	11221	59648	53837	711718	687582	751108	746303	1485186	1441829	422449	422675	640320	679089	1218574	1205295	2364701	2431634	484964	474791	606638	603954	432400	502496	630616	649628	2113158	2005012	1807541	1810572	1340481	1332758	2340512	2351950	1837295	1934200	2578371	2685332	825725	909904	2282635	2227860	2304736	2401294	510782	490479	1682325	1656432	604427	577463	895813	869820	967716	986935	822908	826150	758787	747640	927046	925663	8764	10395	11440	9252	1	1	12747	12193	1	1	1	10374	12044	10682	1	9783	1	9589	8609	13589	1	10598	9927	8653	12144	15805	9099	1	11879	10990	9839	10748	8567	9678	1	1	1	1	8338	1	7362	1	1	1	1	12102	13096	10925	1	1	1	1	1	1	1	1	1	1	9326	1	1	1	1	1	1	1	1	1	1	1	1	1	12772	9122	1	8400	1	1	7827	1	1	7640	8824	8132	1	1	14342	1	1	1	8036	1	6621	9684	1	1
C9 H4 N O10 S	1864285	1855257	1848622	1844383	2184438	2129083	1738427	1731183	1847204	1886624	2039535	2034896	1965838	1970285	1949394	1921826	1741113	1713766	1861339	1828942	2059077	2059107	1619846	1655808	1985068	2091757	1947313	1992934	1737848	1754478	2609087	2583910	2626827	2610781	2715789	2622964	2648399	2659005	2664587	2645422	2641556	2667981	2680179	2732213	2709757	2793855	2712233	2708789	2772256	2840693	2846399	2698846	2867723	2775576	2885167	2864739	2772017	2836617	1211248	1205204	1291774	1285136	850893	870096	1483269	1447314	1439513	1447656	1423386	1426636	501657	504630	2143964	2108874	2204650	2212050	1662581	941060	663932	743674	431942	490675	671123	786103	1315360	1400778	437894	440421	692527	712460	764427	765621	1506518	1585691	934535	967899	1206787	1191978	2185646	2264668	1430423	1455534	1955073	1952096	1957973	1942405	2316672	2279864	1941877	1960876	2062766	2075629	2578936	2096641	2097377	2195071	2210600	2219589	2124225	2166142	2151579	2157095	2243838	2283185	2144348	2167808	2170491	2189249	2180063	2200126	2167464	2180233	2092620	2072122	2062968	2082902	2072892	2106434	2147234	2077603	2124953	2114306	2173910	2103639	2158839	2154485	2157485	2166111	2223675	2217814	2184731	2173890	2203106	2189950	2016352	2036300	2234997	2256503	2039573	2032194	2211805	2133345	2208972	2230643	2281164	2263928	2295027	2245075	2231705	2210883	2452187	2521880	2077932	2081645	2334310	2373007	2386499	2382530	2511219	2447268	2330658	2391302	2531001	2525256	2267751	2224814	2021993	2019662	2430044	2386661	2215748	2191499	2143912	2171051	2439397	2407392	2104948	2107671	2421047	2485115	2283271	2273189	2610297	2591912	2292209	2288618	2185287	2178613	2248856	2231810
Hydroxyibuprofen	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	239647	228251	422780	417079	178320	149932	255033	263354	100691	97928	262596	284728	371356	312846	451738	443024	330018	330130	293768	290693	652309	658926	1426315	950794	828236	9866	496235	491930	258008	272708	361075	379986	293561	291877	356569	370666	507644	452635	624855	681227	566182	556307	750684	683321	445682	428977	637294	551967	233020	227924	849593	821529	444870	423747	509124	568702	346911	344527	397960	390955	406395	409467	340071	334984	198114	213595	259142	259298	222571	217274	260235	265231	191895	194499	319060	332065	367352	381732	351449	421012	141503	143571	128733	131238	149584	146280	319510	308315	177740	167774	108697	110398	361520	353291	194541	182354	757643	751162	168561	172627	382389	383458	185031	181079	256436	252759	122501	151965	149235	153997	165367	176324	90451	87941	291174	269424	331609	307059	478611	470652	96001	94326	82329	62507	93769	98201	295750	268508	416578	423992	247844	250258	145508	140650	121688	128321	191234	208337	262857	235805	93062	95365	407063	197767	57149	57858	134985	127067	121474	167277	208476	199040
95.9323@0.8730356	2191572	2225444	2323314	2282908	2510237	2483868	2273211	2266717	2320162	2242121	2360271	2271927	2271473	2334764	2226450	2345555	2283961	2275743	2337431	2345447	2498667	2469518	2148429	2204600	2404160	2538399	2484215	2562078	2313250	2344587	2901888	2905705	2831286	2817785	2878482	2882135	2862716	2866642	2916438	2907202	2838940	2807018	3026586	3048785	3050463	3107889	3012361	3033933	3015827	3039434	2256912	2213745	3046297	2929193	3108675	3047041	2831871	2900428	1804940	1776718	1992808	2045883	1328656	1364390	2173802	2219597	2193488	2227327	2291808	2321740	1067860	1076053	1695289	1624103	2276085	2231917	1928885	1930716	1685105	1737762	1184778	1194856	1335855	1325094	2087627	2113942	784862	776094	964392	1029478	1058515	1064853	1485625	1441187	1145044	1190516	1375538	1406630	2371509	2379586	1593101	1592957	2087236	2083579	2200817	2134144	2669704	2633920	2188461	2206702	2313778	2261237	2434284	2272478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7alpha-Methyl-4-pregnene-3,20-dione	3069035	2443065	309805	869366	226847	143452	218113	28722	1578907	641374	369582	533417	2751085	505756	1742657	810788	1.02E+07	1112439	1671011	487284	741713	1224225	72396	77425	3050695	589264	606776	135916	399760	111551	1	1	1	1	19091	14346	11689	8280	1062754	523411	17269	19487	5852	1	1	1	349905	114098	1	1	14834	13209	931483	165758	1	1	31843	29640	1	1	1	1	12917	1	1	1	1	1	1	1	18835	1	1	1	1	1	1	1	22667	13982	2071082	410134	98144	14523	1	1	1	1	9899	13075	50244	21749	1	1	286692	40269	219375	41986	22311	9098	353568	117638	16530	10005	477036	28667	10341	6604	69953	23616	19923	26383	131719	20225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6327	6581	1	1	1	1	1	1	1	1	240858	275712	341991	227416	1	1	1	1	55167	19883	2061407	1398763	35576	18449	63366	46382	471998	255130	86461	75328	116051	39396	7456	1	82393	67015	86139	68904	55257	31682	117563	101178	80645	19604	86872	80365	2033904	70351	1	1	262389	96599	1087859	2637295	132538	60690
Phosphoric acid	2648764	2657782	2565843	2613158	2748367	2648372	2514837	2412816	2243103	2297859	2448311	2454712	2519507	2554102	3080587	3091459	2401043	2358894	2478435	2388287	2788923	2807275	2649059	2644807	2378691	2482685	2893291	2992975	2778810	2752086	2488482	2416304	2044723	2006208	2259679	2118682	2165620	2142676	2316474	2345815	2229429	2277461	2858336	2915238	3950586	3930555	3058620	3075216	3386580	3377410	2714250	2644714	2890244	2833489	2473966	2400508	1959771	2038000	2089169	2086891	1914454	2021714	1938693	1990169	1858401	1805844	1836044	1765647	1917630	1989679	2913031	2821556	2759865	2629151	2011909	2036169	1639975	1657100	2031631	1996588	2466368	2496704	2336804	2236175	1904945	1944038	2616453	2535877	2316459	2484562	2433542	2403861	1879621	2195763	2674941	2746069	2479858	2511910	2323117	2343065	2419008	2436908	2648303	2696560	2473766	2217892	1989292	1983062	2832152	2866373	2368603	2292724	2976012	2427916	2701181	2542015	2160624	2180826	1624199	1718389	2108242	2084279	2603882	2590782	2389643	2437869	2460792	2418329	2925163	2897171	2390382	2347387	2917586	2898310	3020020	2935131	2392432	2317388	2611596	2622262	2252758	2316394	2876863	2939737	2213192	2166178	2656140	2556461	2257886	2242206	2203523	2225509	2591259	2628714	2771178	2800208	2904782	2905178	1863143	1794638	3048218	2882815	2781583	2890876	1998572	2009097	2320551	2316333	2628597	2668042	2294678	2249486	2390965	2341479	2273115	2246905	2823414	2760714	2919350	2829778	2066189	2025877	2864243	2848762	1830615	1816342	2142846	2093041	2181536	2194889	2038230	1878244	1721256	1763223	2650311	2654737	1931996	1915652	2667712	2727644	1702919	1579679	2857137	2929730	2061805	2127786	1725799	1742996	2448224	2432360
158.0192@1.267791	1747834	1783127	1526391	1633411	1355215	1311811	1632242	1651575	1623591	1499529	1230270	1215951	1453511	1421060	1447005	1493773	1626007	1627938	1588113	1592129	1333645	1354914	1639676	1704253	1414501	1455507	1579036	1556201	1756717	1782518	588743	576477	672531	686167	804186	799101	623041	606798	904285	909544	709351	710568	691264	695063	487553	475571	777406	807727	455151	462314	367329	374890	1184843	1173065	419352	435457	754434	797730	1219160	1181369	1325878	1315267	2060231	2013808	1347948	1349401	1445009	1409187	995707	1218570	3341175	3402233	995332	937169	1045263	982948	902838	801733	958970	1023654	1288315	1304199	1405907	1519531	1122469	1073115	1895602	1961139	1641190	1734182	1421377	1447393	1019182	1268179	2198889	2234953	1836260	1879940	1775535	1323041	2355452	2314694	1566267	1266926	1777427	1705876	1258682	1252532	1440485	1521099	1355620	1323378	2010504	1837088	1245497	1156225	1090253	1073428	1208876	1262894	1323634	1340245	914527	883905	1298619	1188805	1136481	1106464	1244501	1253523	1329193	1236123	1319087	1422916	1274869	1377096	1433378	1451940	1399979	1489097	1214298	1278860	1307654	1278108	1173447	1162725	1076396	1070598	886662	889414	1235245	1207754	987303	984277	1382999	1384473	936101	978396	1570795	1547645	1273868	1394954	1034248	1084801	336672	343708	280356	341868	306831	286473	194459	245909	561561	489830	405201	350779	307572	318774	405363	296468	479687	479072	213444	228360	505093	479842	756735	774475	329053	386533	627119	483817	629774	620593	346525	313928	565646	540588	324073	377305	535464	519014	332212	315970	491447	468942	537745	490440	402182	365075
625.3594@11.989655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49439	19946	50969	58827	156119	35470	66242	53334	19450	1	129941	48867	266267	70972	47476	1	37839	1	27342	1	294068	247223	3511861	1207513	356323	114992	112218	68200	66304	23323	41161	64718	107346	56423	19579	1	440888	77569	327388	56570	87319	31969	480817	239039	36356	28355	860345	103357	1	22496	357431	153819	29507	30838	320012	55987	129002	183822	185089	182489	129801	96393	170876	157576	88330	77427	240669	284364	248067	223263	348584	337062	127930	169364	357710	380240	167788	161878	124331	119095	271834	236630	370048	394914	312569	315794	101690	98713	232348	250148	82277	69699	168932	194587	172955	185744	310189	282455	78726	70964	182262	208891	265585	221988	102128	95956	130007	139683	121849	91299	154046	88869	78543	52793	122387	46869	499318	410561	61216	34197	39911	26767	90494	54520	40303	38033	90299	23123	168798	68178	75442	58583	58181	52435	42498	26548	70782	65758	139273	32362	44432	45708	540838	40150	29776	20277	91380	38105	188488	327751	91797	44371
C5 H11 N6 O	790110	809777	875507	967032	948168	842194	721304	755705	717234	638318	672083	708640	691935	562270	542749	546323	615996	550400	575204	528995	535605	771318	795235	1082178	1503160	1661656	1300898	1411774	1025912	1525932	1107568	973168	1163367	1215058	1229256	1251092	1275590	1078628	1194458	1188573	1117082	1153859	1186411	1270249	1131327	1099138	1244373	1330829	1186808	1403221	642265	645473	1929591	1909496	1654756	1646648	1872091	1820848	447456	461842	470864	485242	471554	439540	499902	510061	521772	561007	509643	516996	428576	443659	781016	579795	898213	949797	729878	791768	1024459	1178577	1066267	1088456	1084399	927924	943261	828037	608589	627201	777694	783260	832832	833420	634192	693476	1570228	1587980	1551582	1599670	1741161	1678259	1680857	1606275	1717447	1755229	1729763	1757488	1753824	1758253	1833024	1879314	1792735	1791514	2324639	2034655	1709307	1718877	1829347	1818538	1914851	1929524	1841269	1864065	1754722	1768679	1826304	1814712	1746800	1769398	1732527	1738635	1690641	1663743	1823772	1866372	1936975	1915018	1958533	1953061	1811155	1843234	1805135	1812943	1838278	1852830	1948720	1953768	1706702	1687513	1838675	1837998	1831143	1834944	1851207	1871057	1515921	1531540	1772907	1774020	1942715	1939636	1748645	1800191	1770422	1796193	982721	951068	1055233	1062372	1040824	1043330	968589	943000	1109910	1129609	1096927	1095427	982572	1013645	1266061	1269467	1165855	1114173	1196156	1184753	1235959	1214210	1228023	1193988	1172561	1185569	1185521	1196015	1287668	1256293	1221428	1197747	1113842	1088819	1207001	1237834	1198706	1213881	1125207	1128259	1225708	1222451	1239392	1218538	1253808	1254594
956.9787@0.8934457	699115	587097	697707	580218	685098	1487664	773248	253348	1466104	504284	701849	399532	733896	530900	296086	1014132	736936	536268	512721	687655	649232	925932	609171	592491	617173	567187	730711	528423	902478	1348095	604304	557245	237243	599138	294559	670321	591706	224710	577581	589984	915258	255535	672118	660425	598539	635421	666351	680402	507565	484048	337345	399664	586808	619906	264829	192595	324985	424789	300109	260555	389856	668072	316767	251405	311284	340083	244669	332957	351663	284327	311571	309568	305179	452792	152195	536286	323661	202704	424827	324758	343595	354507	361795	526204	333300	381135	226297	343402	2073551	405591	389255	408056	368932	321400	307789	269223	1414900	309513	342494	319346	332310	322109	346676	304000	325193	299054	361155	275541	354944	300459	345308	699511	538935	299940	477676	486754	354897	152398	399919	388697	289960	425191	185574	315620	429240	377301	352872	305135	370187	371129	343929	427562	378120	393416	379916	434714	349616	382824	302556	356868	343113	360806	365332	471620	338000	321142	314161	317332	304620	271008	352086	354853	311736	313321	300356	342718	311938	319813	306271	285232	334868	346803	322545	310837	305650	307270	390679	347162	347035	392902	397050	288088	283424	276148	298612	408463	345348	335951	496909	449204	379117	389516	255944	299650	259742	276541	252605	266096	273378	256995	298424	290905	298136	279992	400700	281460	281589	359660	351691	356385	340912	335665	387309	419919	351183	330488	326921	282098	319088	294983
LysoPE(0:0/18:0)	861585	623626	154895	260716	134174	127936	146747	77757	365055	224538	266850	297025	919681	354561	950250	557301	2819406	501176	818163	368813	449605	605712	134256	108779	316744	131722	172525	91129	181897	112192	93238	92677	114564	110742	57251	46200	84792	97045	1385857	963257	116481	115400	107269	104309	393399	396047	544269	288564	117050	109346	48132	44320	661109	261237	48823	37470	145712	137208	130465	91681	65182	58972	213486	84795	68574	58579	41244	19948	72370	37443	240486	116920	51210	36544	29819	22631	74685	62264	273853	220252	2447469	791480	249823	117390	100612	79900	92391	79297	140982	147575	234712	144773	36813	39872	331717	112607	322745	134440	106514	65602	408395	245961	73064	57795	540372	89793	27366	26343	259481	141230	91669	95995	406062	70370	103841	137401	46322	46644	65824	65288	40890	42783	56159	54282	66592	72000	54317	57108	97872	103261	68487	72224	97073	92357	170437	163441	76890	64563	79892	81464	88174	101779	81226	78655	53483	55474	66957	68061	56968	53784	53605	68536	69207	65294	191749	168792	50665	50950	73217	72668	83073	80305	99295	102020	189716	180127	164528	133467	209006	123945	120137	78714	162448	88874	694416	509880	80818	56803	63423	58173	245317	155382	74131	69890	115333	55800	180272	97360	93250	77814	102567	91040	90404	59860	84418	78940	177660	67669	73139	69686	681535	75687	65744	44095	182613	88599	448977	717937	125159	78818
L-threo-3-Methylaspartate	5563531	5488485	7184953	7080354	4319558	4305161	7907958	8143973	6705399	6480492	4816139	4867897	6111736	6035236	6886944	6683827	5654159	5792597	5886403	5999466	4172521	4232079	1.07E+07	1.08E+07	6094127	6158241	5915305	5842824	8712784	8862462	240725	246321	505325	498085	167641	171435	729540	734621	1202525	1186195	336715	336403	149353	158393	313576	317018	736409	727207	83255	82790	350581	350082	1216830	1196891	59378	61562	410206	402182	488264	491017	479610	482823	1344418	1320882	300819	299221	330248	321233	265757	250687	774839	797559	307893	290621	349070	348077	267540	253581	554788	576163	920959	932017	679118	719636	355609	358116	2067356	2045481	1425494	1463377	1153629	1191338	318677	364795	1194383	1214080	988030	988119	574064	556352	1006126	975788	468849	486144	647902	631242	241475	238265	585198	593514	473690	451715	961630	619580	1399728	1434088	1819748	1839027	943729	943023	1416530	1390637	667949	667074	2030654	2010711	1506981	1493301	2575099	2565424	1708284	1726218	2857725	2781464	1948153	1953407	1587136	1585236	2291384	2278205	2364678	2379589	2385494	2359777	1033297	1031914	1985671	1996078	688173	681509	1879790	1849282	1013902	1011517	1740422	1725596	853642	871427	2246519	2155716	2475639	2487954	912811	941317	698327	684749	677563	709704	821936	803480	465451	459013	1228929	1234865	810988	824019	1430477	1454228	984716	955553	959408	933679	662119	671202	1427181	1464530	1699167	1700151	854000	813597	1631232	1634066	1633647	1635429	984901	1013284	1369902	1409751	935958	932890	1271403	1245634	679174	710914	1205054	1214572	1832560	1867220	1532096	1521258
Methyl jasmonate	142154	103364	50853	51692	41454	90113	37613	45246	78705	56977	44600	57808	110691	87563	115963	103255	261670	85334	66930	67505	63388	63870	42199	31901	40198	25555	33369	34692	91292	32372	101814	108888	114490	115469	84087	109319	83617	89504	49524	56289	146857	129627	84366	111957	87897	108296	94753	87772	17452	92209	142556	65218	115394	101428	59598	19348	141793	146730	55653	49117	88175	96669	20578	20635	83419	72743	16918	19716	39009	37623	56000	33591	131251	129485	74916	65614	96572	95136	215336	207618	246846	136659	114312	119410	100291	77443	29026	37274	42392	44395	38393	34918	94172	101983	61486	61468	120191	89244	163416	167933	124156	92141	104244	112206	159175	145813	36075	36721	176582	177006	103348	116304	126676	123294	119645	120245	166423	162968	333626	327669	122892	120914	85746	85181	87200	96496	103008	97768	109313	111004	84196	81264	139239	137593	145020	144989	146096	155180	58298	58612	57639	62795	58144	53164	111238	110097	79980	84201	49647	50930	135097	130658	83422	89610	529167	530943	79023	72581	307008	312032	77545	76857	98675	101735	48562	45947	53203	50958	197129	198794	133747	137310	106376	93004	127436	115678	346736	337785	30355	34057	24875	21997	38023	35957	115205	105334	219929	206868	97511	97459	53177	63713	65429	54498	76097	78042	109232	97348	36662	49437	193056	83013	95618	97048	59045	52039	43827	61994	96133	88112
C12 H27 N9 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90809	92263	112646	115176	412170	401707	61349	59818	72780	70794	50799	52365	1100346	1083242	25921	26665	34593	33826	57588	52923	132813	117784	552058	553312	407452	402997	51667	52737	1205309	1188018	780419	794716	702119	708433	42079	47674	663132	669378	505782	509854	41981	43808	307148	316964	119499	115269	109547	117835	18466	19939	87532	88774	72434	73275	136511	135553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.068@1.5645381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1020721	1009778	486078	495899	1013351	1005397	439999	443422	324263	334137	266647	256633	1880376	1881018	578268	549879	416882	403832	562336	562322	413062	428347	1147863	1127929	1744942	1830780	79803	80621	1845829	1828248	1453844	1454549	722198	1528182	1	306224	1031210	1029578	2198798	2188651	493885	484527	1055910	1018120	515263	507664	503113	505568	148667	144148	1109363	1170571	904603	864141	639679	572820	1	1	1	178798	425136	1	65433	87521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	309310	1	1	1	1	1	1	1	1	1	92439	1	1	1	1	1	1	1	1	1	1	1	38145	1	58813	1	110500	80718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H20 O4	159565	166256	109668	105547	111915	108374	115323	101675	126713	123614	122964	121484	120638	119822	128890	122239	145361	131907	112375	106995	146098	153234	111812	123778	123341	117902	113317	107555	127885	128935	143814	155068	114385	123485	118631	118487	124554	132196	125014	122562	119070	122414	128875	128165	124539	127935	122139	118481	118073	113299	67435	57858	160508	153472	118675	116997	161670	156030	38542	36375	82867	81316	49459	44264	49151	45746	48490	50106	46233	43695	42583	36973	59420	54618	60793	59752	69711	76241	70377	64590	83129	73554	89329	83885	67346	64074	103286	100759	83192	84217	53367	52549	41578	48678	144563	118151	80630	71050	105999	99305	66098	61665	61890	59338	79968	72915	46299	43566	80755	89327	66756	66612	1822398	142537	79374	85392	71661	70727	63388	54536	82158	81452	58541	61759	59810	63733	75180	66805	66526	68354	76038	78553	86384	85031	63492	63113	148894	155306	86999	82083	130028	129141	76844	73061	125582	129988	178023	188324	163525	157237	99819	105794	125585	124775	69316	76252	68953	62513	76037	78390	102576	102452	104939	98389	67476	65356	59276	58804	70561	66149	77923	66558	69053	68395	96027	95976	100636	96066	86922	76855	80838	73701	83913	81166	104277	100729	117036	109256	96222	97349	96338	96407	81329	87222	93802	89735	102680	105418	78336	76506	116311	99824	107602	101021	92785	84030	82739	91050	109767	97762
103.9641@0.858544	1699154	1620154	1830279	1702914	1693792	1636552	1645894	1587665	1845590	1779015	1834309	1807998	1858682	1855645	1537403	1553709	1687601	1705225	1615180	1714506	1680826	1675524	1580907	1610202	1698380	1761737	1723626	1656425	1620270	1674752	1922106	1938977	1918922	1929024	1879658	1931011	1945566	1966013	1896911	1832209	1959399	1917214	1845382	1894723	1853586	1862417	1852852	1946161	1896591	1852805	1412530	1405865	1920275	1883358	2095267	2044264	1980936	1886473	1461253	1467917	1493393	1610840	1285399	1334087	1653016	1669376	1721373	1759875	1609904	1691183	1159113	1186946	1110913	1062367	1537533	1569524	1664684	2076423	1963374	2021618	1424238	1380034	1503379	1467102	1742460	1663994	976198	954087	1013287	1076499	1082874	1087057	1178367	1080852	1071733	1067775	1108251	1188563	1537351	1544345	1199876	1160776	1372974	1369242	1400130	1412710	1637327	1648872	1347920	1333381	1429760	1435994	1430174	1512616	1931056	2007675	2150880	2173651	1759695	1720821	2178367	2183430	2161261	2142453	2190549	2202511	2094381	2146060	2093917	2170481	2195378	2258007	2134942	2080608	2093576	2099180	2277614	2268638	2146657	2209648	19823	2232839	13267	2201013	2360519	2302450	2179528	2194854	2380032	2315648	2255163	2288625	2279951	2252201	1649382	1553865	2186744	2092794	1773525	19945	1933089	2073666	2147309	2254710	1193439	1187912	1270268	1233484	1176530	1134794	1562152	1643812	1205150	1217887	1292507	1321008	1649480	1658335	23168	1484608	1442756	1380330	1457720	1459506	20647	20369	1374834	1363213	1481166	1522449	1350599	39790	1517106	1496209	1480897	1517721	1432855	1358632	1528700	1542225	1477724	1392194	2014057	1980777	1477061	15575	1360735	1357441	31315	1446619
278.1868@10.657124	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10570	16257	16919	18178	16434	21621	17441	20947	19342	14057	19799	19807	21983	23025	22474	18687	19637	21536	19025	22341	1727837	26197	30619	23478	19803	26404	51654	22378	30380	25598	19509	27848	19894	18229	26949	26039	23068	21564	21628	47976	23717	24205	28201	21298	21960	21754	29949	24281	18073	31019	21109	25230	31571	27136	24297	27387	25027	18964	25498	24420	17479	24480	28307	22692	25707	18383	25868	25043	19870	23213	21148	22264	29442	23734	25050	19999	23405	24697	20200	23210	37382	36847	23483	24658	27882	36709	29882	25987	28223	25025	26212	26499	29908	26061	31903	25290	31004	19452	29739	41744	21146	25508	19952	20152	27283	23470	26183	25132	33506	27127	22772	18998	32390	26003	26175	25449	30880	40351
218.0432@0.90584385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	821001	828902	631049	589438	904364	883811	763989	782643	799926	799042	580635	586782	990213	991263	583386	545754	861957	830989	954024	870691	611057	619713	676870	645078	808141	835648	555712	554734	927427	934458	862272	896056	954748	949324	275235	438809	970033	954843	1035796	1060638	753907	754744	889997	896400	699948	701018	889537	852852	693841	686691	670071	677710	819191	807489	1319528	1114816	312936	309596	329300	318849	297621	303997	261743	262711	238121	237929	189197	190023	464827	490442	187103	186364	255143	247427	203458	210180	307437	308708	381950	373129	271867	279721	256030	253526	203960	208195	342208	331160	203569	210636	443939	466946	277783	280531	356764	355339	284262	286796	317716	319020	394640	394234	176051	174738	389240	409236	528997	511125	574141	580639	748598	734282	406995	392300	973660	992069	729286	737145	986714	993506	837857	834286	905651	876597	630373	634855	1086438	1074667	1046156	1020083	744043	738127	1225273	1219953	1030513	1021700	795643	789453	971120	976407	825194	822306	973204	916741	654111	647116	988815	954146	1275324	1255875	1130998	1094190
253.1436@6.4264555	56229	82894	73942	82060	63061	64852	73874	58534	68539	66750	66287	69742	47721	70574	74820	68812	94942	73011	68979	69925	66647	72872	70681	75860	75712	71496	91695	85576	88725	78277	72743	69036	69788	72243	66994	61341	61803	73996	71992	77377	70871	82828	64298	63091	70686	88287	87989	71834	84396	75361	56605	53577	73425	74414	63677	67801	73615	75680	37724	42188	40568	40831	38401	40259	41995	40231	36895	39621	42303	38070	42451	41050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12550	23570	31237	33104	45286	40321	37133	34241	41009	40421	31602	33591	41181	38879	27528	25578	44106	42269	32948	26693	1	34061	115072	91704	57927	90295	100712	90090	95883	77402	91966	91618	91155	102512	56334	94434	93814	79171	95576	92469	98900	102380	99360	102578	95065	98763	95862	96096	95756	93674	79661	104199	87940	97881	94087	89181	80131	89576	93427	99135	92015	106865	111608	100204	91640	88987	100976	100961	105554	95815	89551	104702	89561	82247	83528	81241	92777	97888	98153	102211	108363	111861	101306	99616	108452	110436	36935	19747	43891	39277	38550	39692	55642	55901	29529	76443	49237	54429	69299	67753	66273	62250	62818	54496	63957	63990	63195	62127	98944	72789	64124	65382	70022	68757	76401	77294	75645	71771
Zingerone	105733	107081	117802	117080	111170	117567	113743	115396	116191	115222	118767	113452	105665	104601	98926	99923	102314	103052	102684	107198	110317	115581	109528	120721	121151	126332	125862	122069	126887	121787	130337	131824	122471	127438	135599	133679	128413	132813	124716	132216	119818	128360	120749	122097	119819	125481	126791	131443	127155	134841	139766	136714	140275	140817	132770	129817	130005	128234	75774	78265	80655	75492	79751	77858	73915	68506	72069	73949	70379	69037	73351	68089	133457	136126	105682	131764	122505	124350	129833	122114	124428	131415	125508	129449	135583	132226	137045	128046	139599	141864	136072	133323	107552	144292	141652	149844	136276	138106	148881	132961	133906	129342	132164	137830	134953	134076	136704	131059	131215	137556	137543	126066	7305973	151562	133768	131115	128056	134406	131291	131026	141487	138965	134557	142892	132532	137708	142546	138839	133379	140502	137097	136603	138242	135346	133479	137459	142468	130399	143090	137495	139303	135539	134869	143317	134621	135935	140257	141438	143143	147093	132027	135055	142867	141796	126832	139165	142637	132364	138287	131364	131211	130904	169366	138991	122230	126884	124786	125699	122142	133851	130489	134093	122432	131965	118643	132008	129561	134288	118859	114094	111820	122168	110925	118209	112359	109641	108551	107816	113493	105001	115511	87800	113911	108966	115696	111390	109125	114056	117745	120043	110201	109718	116296	116277	117829	116635	118016	121574	111203	104044
Glutamine	2272323	2305868	3365181	3437503	2066179	2009244	2906443	2903856	2481178	2410794	1602707	1594986	1907874	2029629	2828115	2809484	2324052	2262323	2111887	2092918	1476166	1502844	3082339	3155323	2412488	2552225	2316554	2326580	3460607	3678392	223301	228230	280149	279292	149448	147516	254537	249891	419079	418345	342448	347668	137132	143136	341373	344637	349801	348538	83732	88475	193924	200131	571276	552757	49856	48484	455549	479553	481347	478392	787021	813488	1130556	1150715	572940	580604	692958	669146	697054	674601	1486330	1465316	535428	511965	536681	530777	446765	368676	457430	463737	978947	1008408	769767	823411	650764	673094	1815784	1825514	1848624	1931161	1168873	1167264	660780	793757	1405528	1408434	1200365	1230805	546287	564452	1811936	1815527	937242	942691	888590	891451	618772	648072	1091055	1117996	726310	736428	1371388	1200395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1466@9.486429	201302	202742	191489	172124	187740	181512	189142	200118	186628	192162	183092	193489	187438	176362	171923	194828	206881	181940	189335	178236	193957	185004	175522	189417	180269	189767	177700	162429	167112	192493	172596	188049	188707	190293	165862	168339	181611	179235	192200	197341	189441	190604	194257	207205	183826	202379	186977	209299	185458	212785	227935	203786	225895	211526	193214	215859	205561	221965	111932	119785	120418	132638	118339	115826	109459	112336	127720	120075	123654	114710	116607	112157	1	1	1	1	1	1	1	1	20511	17801	21135	29463	16414	14308	38717	46694	34125	40540	24871	21545	34162	42696	94401	73340	46061	44255	67692	64655	46090	51761	50457	42211	53228	49955	52027	51029	59259	56011	47790	49824	1846614	83664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H4 N4 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31876	27727	39056	40730	112133	109341	31740	27906	39457	36866	32145	33411	95114	98647	18489	16697	30424	28072	24043	22709	42773	30645	82771	46480	96200	101049	26496	24542	125504	92205	49651	85409	38607	42524	19780	22403	80006	113798	51238	1	31970	31378	100566	102820	35891	37244	33218	35561	22659	23301	23625	11239	34802	20546	43995	44151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine nullnullnull 1.15928	846729	844826	684430	716736	362963	343587	737451	734786	867078	853577	421196	429043	780065	750956	625995	596759	780707	753341	683161	664475	295440	319991	1044889	1127912	470020	485460	521847	518220	786240	769192	151803	144644	217997	233039	88800	90183	110491	101450	68724	77903	220780	212788	83912	90317	162738	166418	113277	127277	33590	32874	33563	33189	196826	199115	19911	20973	364133	373775	581392	544757	746618	756877	813012	772290	497684	508056	287704	289849	341656	340924	1997649	2009601	335093	300804	649495	643941	713418	749256	1300997	1433716	2933647	2906801	2046312	2112366	508874	517296	3078769	3055531	2107901	2301345	1832020	1850373	296664	584363	2655059	2640220	2270129	2301652	797948	777099	2231584	2161371	1132735	1156902	1085821	1099434	428774	423540	1051134	1086734	949568	919402	1323917	1429551	482481	472677	873770	904840	581503	577014	1005138	985208	251523	249866	656395	663789	682989	684847	867382	865903	709944	693067	875277	858846	409043	398876	389449	391830	730238	727148	1001504	1023335	687968	666427	369205	361072	632193	631767	353057	347582	1029164	1046260	317123	321689	669816	666245	501607	500769	1064696	1031612	998851	1005501	342024	355013	44861	39085	35414	31587	180993	166828	126385	122482	242687	249788	30963	36374	204412	211952	27963	27851	20821	21820	20226	21907	232719	233320	476248	492140	75125	77431	156469	146844	274138	271660	37932	40202	292402	284281	18925	19625	190821	177382	104504	100103	118024	123220	43443	43633	206691	207530
C8 H4 N2 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	141796	145085	143485	143774	676573	683042	83823	87821	84995	80331	42595	41282	1084373	1117145	77019	82037	53504	54519	89860	76203	130610	138579	696315	735414	456790	478518	39199	42213	1622663	1611213	1016359	1059928	887251	917129	212620	217798	1072855	1063350	664017	665659	88398	91195	511350	504073	180286	188039	165386	160101	32951	27006	149552	151019	125093	128613	199785	189272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	313206	292122	173909	199687	173157	166749	183411	163340	289591	243122	162505	172518	324524	223585	340860	264289	911077	272678	324353	238709	254247	297786	236879	242119	251208	188578	238870	222240	245630	244542	15962	13005	18450	19712	57397	50527	44868	45075	540601	492809	58505	55855	13511	14994	12208	10362	321013	281308	1	1	24002	24484	274025	211433	1	1	37576	36444	111260	112481	95554	109131	349306	294971	35625	29111	68509	61308	55299	41934	423068	338450	52596	47023	37097	37735	39880	38611	137240	131825	1734612	815594	445581	342746	63364	59230	437019	423236	503344	516079	523116	453838	72386	76220	587242	426996	572330	473084	108496	91534	510883	426163	144378	141699	255813	130470	46791	39345	224067	170913	121643	124680	135581	118325	15560	15646	22061	21027	33169	33191	26440	26498	11830	13428	10812	9346	19207	19033	16686	15595	15528	11878	21117	21324	21685	21472	29748	28619	1	1	1	1	1	1	18495	17839	9141	1	1	1	22782	25213	1	1	136537	132361	11472	13027	25130	23897	10204	11976	37147	35346	128392	130970	124453	112228	1	1	1	1	117869	93394	249758	193073	86228	76297	107632	100345	172756	140051	93237	88636	189506	168158	39714	35058	100826	96138	145797	144162	106944	90556	123490	121018	122878	101543	113568	111922	294657	127808	1	1	195050	147973	350434	437599	138448	115928
182.0929@6.244774	307616	270871	114622	109845	143514	85587	82178	80152	127722	71379	181631	144977	210393	251599	268317	295465	436729	187275	231432	165763	41314	206875	116085	90711	100430	103706	19867	62553	71822	124722	210352	198087	225904	213652	123047	119357	239674	194445	211340	193644	292811	305911	172813	177552	114538	136293	286722	262094	17249	11955	172064	262255	365033	309687	84661	45211	272855	240219	113443	130000	237300	229968	90646	72411	148296	156135	68516	72746	156619	151836	75271	95663	261939	281816	154972	164635	144939	172726	296986	308838	537438	369337	300428	290538	252540	244531	92391	73235	130070	124597	107790	108459	232182	224836	213501	177564	238369	219637	272400	248945	258886	249525	193195	198272	285729	215618	69274	122480	397940	397759	233813	200005	1203596	261374	353324	327030	256801	250422	346152	353274	240013	243625	197595	192850	207625	191599	143702	133907	191271	187181	165296	161090	270112	245450	339657	346519	391597	364205	130870	131465	97458	95423	109804	107285	262461	253712	131708	125215	79255	87472	214491	236699	176719	171268	520758	501646	136572	130119	265059	253031	112925	115365	192430	194522	74612	113433	77026	78305	198106	186992	91631	82558	168995	141031	160655	185136	249845	230904	66671	75379	28051	45855	72139	73564	162799	141081	330653	309682	176160	145100	92499	91182	88831	94689	126270	130921	175684	170965	59937	71768	222685	101342	55594	45919	104508	73124	98493	97353	139953	117941
Gemfibrozil	60652	53118	54082	55730	58430	56197	54315	52277	50595	53052	53191	53869	59076	43820	67034	51872	124074	55547	57325	38237	54035	63394	54033	61115	68781	75641	65960	66706	61854	65016	65858	67582	62581	58553	78712	83018	71841	67712	65609	68219	65932	62444	73694	76190	69720	66217	68442	70487	69406	74275	66154	69189	67637	82664	90726	89521	68048	71247	16668	17004	27985	25905	21966	18302	20667	19014	17777	15294	20717	21473	17171	17160	1	7873	10213	6601	8657	1	14737	11031	30355	16362	12652	11802	11064	9964	12221	9251	13309	13304	11487	8896	15295	18221	26062	22979	21191	20342	38179	29836	20255	17612	20750	19399	26267	21465	18342	21205	28751	26962	22237	20737	1520003	32330	33893	32282	31187	34389	30766	33120	35099	43104	36096	39099	39374	40872	37233	30409	33260	31257	34347	34006	32945	31782	36871	34784	47632	50459	32671	35373	45053	43121	36065	33424	47935	53828	50617	50649	56191	51400	46969	72520	51944	53155	37100	39618	34044	36928	31964	31173	40030	36807	44124	41339	59358	49829	59806	58623	56424	53795	54452	55602	55519	55694	63538	61770	60745	61386	71306	66992	68551	72473	70991	72717	68868	65798	56888	60581	63223	63153	68708	62990	61102	63879	62933	62717	64481	57733	73007	68791	70408	73577	69830	70304	67273	75507	66189	61795	70624	75261
967.0082@1.2131504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3734985	1.13E+07	556794	1	1	1336600	1	1	2791285	1.44E+07	574913	1	1578964	2129876	3448725	2429456	1682435	2501099	1	2851825	149121	1	1	1741931	245222	1008433	1138356	1075025	377863	980800	842481	663199	1021334	1	74326	83130	4981830	20731	125407	1434802	6733030	249601	862032	528227	1648097	1457825	1263207	1085252	283914	781928	1541030	1	1318889	1270499	1467616	1354448	1	1390929	1478405	1391183	1	1	9557159	1	1	1606037	1	1	1	1	1	1	1	8474488	1	7154446	6437908	1	7707466	1	1	7955917	8007320	1	1	7028889	1	1	1	1	8139024	1	3052081	127015	1	1	2312872	1227133	2840285	1	1	2002692	1	2312205	1	1	953510	1988067	1894971	1	1568334	2110444	823169	1095170	1770068	1776929	1701845	1	1740474	1734103	384597	1743287	2881162	1	1890789	1191151	1	5638164	1291727	1955956	3344834	855069	8910577	2019181	1830184	1761733	2017663	1932298
199.0572@0.9854376	1104247	1085831	1136422	1131515	952331	942120	1124797	1131616	1116350	1081898	935366	968203	1000011	980573	981017	1000483	1085302	1093286	1063608	1011654	843689	847651	1066731	1142107	1017583	1078418	1069175	1058918	1127555	1137471	44849	38324	54995	51964	56327	58228	43603	42459	29896	31916	51473	55119	48253	49658	67427	69025	40942	42546	32512	32507	22450	21450	52428	52335	20382	21908	59219	58696	1313362	1329530	1357650	1355836	1492955	1487881	1321520	1235830	1393634	1407160	1317769	1326787	1605243	1586210	1164961	1136994	1159130	1137336	1201884	1213461	1290768	1316065	1449841	1372241	1368827	1339137	1072132	1095609	1224435	1212676	1234539	1251530	1339427	1329731	1211442	1258804	1530903	1528978	1511802	1511795	1192348	1197143	1447459	1430420	1397163	1417393	1390825	1409310	1114688	1111252	1341090	1331059	1336436	1303941	1664283	1610902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3''-Hydroxy-geranylhydroquinone	708565	662707	264508	266879	257442	231648	226558	219055	298200	289557	364106	381328	726557	596179	875993	763611	1074218	512497	539895	401228	412889	431221	234938	224606	194634	180966	201526	186496	171904	168436	146237	148644	211934	210641	158778	157048	241957	245013	243721	236347	356556	361011	181613	181643	81029	75986	313571	283458	19602	25015	201122	191242	408664	347248	30526	30420	290943	281749	201353	196787	377247	414394	187745	149200	218179	214116	81730	83695	261497	256521	332634	262461	386577	383548	310230	296325	266036	268332	593869	583167	1559621	925886	851684	774960	506189	496676	218924	194530	324712	341728	299279	282366	355911	344602	475085	405660	702089	653906	490024	496870	671841	644776	443332	445296	643032	549195	253584	247131	787407	773722	435558	415635	502832	544715	210963	218644	287924	300150	309589	312416	266943	259504	138869	141915	173062	169154	148290	138110	182554	180345	127768	128201	233013	236949	252988	249857	284683	310085	95480	86999	84474	81614	89622	93889	202607	210211	102065	104119	63431	62031	274519	278183	98636	96351	609492	613895	113775	113068	222262	231295	120332	118501	204645	206728	132567	129232	119147	124084	72421	70662	42915	43327	251156	236281	305761	281343	357343	338415	87579	87091	79920	67172	90013	85221	245959	237939	317217	293380	238432	232073	121616	114124	113358	108037	175598	186729	212732	188535	89374	88092	343601	188035	33354	30437	132687	104446	99751	151194	198481	178558
128.1206@8.06602	39577	38139	58133	1	1	1	1	49837	54005	137446	67210	1	65219	93688	106524	83547	79035	88870	77075	15501	48138	1	91991	68437	71868	21923	81957	70672	51679	83054	75888	91210	39238	63448	86641	92390	85857	81936	79678	112571	170266	81175	43967	44849	123770	91450	78275	99707	49320	83727	66426	33973	80083	206601	91519	1	72696	93514	35325	1	1	1	1	55853	1	39181	1	1	35317	1	81901	43291	49297	1	1	1	15219	71921	50757	473323	1	47994	1	46117	1	1	79415	50550	1	83569	53596	43207	32465	1	55095	53590	95119	82902	69368	1	67687	120529	23365	76359	1	1	1	54357	1	47339	47959	38946	1	37237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H13 N O4 S	1	8063	10077	9578	11125	8215	9384	8898	9457	8476	8914	8503	1	9907	1	9386	1	1	8782	1	9308	8633	9417	9367	10543	10526	10459	12694	10227	9672	1	11198	10505	10230	9558	11336	10308	8932	9724	9711	10398	9304	11525	9299	10967	10544	9058	9060	9909	9537	9678	10011	11167	9978	11108	9279	10076	10253	8983	9662	9462	9331	8810	8766	9900	10785	8808	8683	9127	8320	8757	9577	49891	48897	48165	47896	48553	49490	50790	53066	39553	47084	49430	43682	44643	45096	37806	39746	38925	39709	40340	40636	34992	45520	48775	43364	45498	47287	49166	49960	46292	46895	45190	46696	48926	49004	43141	41422	47780	47096	47124	46430	1394369	51760	14466	11309	12947	10418	10569	12801	10934	12325	10966	11477	12769	11369	13114	11272	11767	12827	11718	10999	11857	12361	11972	11926	12472	11791	12680	11702	11663	9369	11974	11993	13810	12052	11991	12313	12950	10961	10383	11837	10172	13338	13346	13150	12024	13412	12107	1	11945	13117	11003	12095	67227	60685	60422	63059	64847	64900	67289	65325	66323	64343	64747	62682	66803	63730	55159	43236	36530	31201	33230	31021	31715	32878	32968	30354	28728	31444	31355	34040	31816	33106	31690	33849	33820	29550	31825	30190	32777	33509	31663	34110	29204	30203	28915	31081	29314	30151
311.9091@0.88136363	718939	749486	641950	646546	1022204	1017452	669448	660690	929392	893518	997840	1009112	801426	817998	525961	531951	817954	825445	776160	781315	1031335	1057039	434300	437747	1019648	1039841	855967	843543	540143	553182	1593694	1618344	1761237	1780189	1924156	1889646	1889150	1879666	1258067	1256399	1832685	1828680	1377047	1443699	711743	704731	1055579	1076865	1619358	1673644	997371	1092414	1270935	1271838	2360282	2382910	1759999	1830676	948463	948835	678313	663661	505779	502142	1040546	1028349	1042304	1091486	812633	817533	344602	343284	1096418	1068897	1366019	1312641	1142316	857871	443149	476892	95245	97052	340651	374361	709563	730798	209464	199312	237125	240294	297246	306789	384912	471665	308173	310049	407863	406878	1085118	1074493	451842	457461	807119	820716	824878	832568	1367840	1384859	651222	667830	977478	958595	965474	955044	214162	213968	252066	257020	252777	252754	263303	246472	269873	268657	242441	246379	223214	229634	180939	179895	248479	256630	185084	172508	189045	183203	258561	259768	201655	197818	271185	273760	217465	210519	295755	297117	242331	241759	289773	283998	264619	266077	252181	250159	146914	144936	238831	234087	221590	224790	183325	183415	211523	210128	111530	108879	182836	184101	177730	175369	257180	250535	155598	165252	228042	234577	155582	159694	199632	202162	233347	217308	218597	217066	176760	176048	170391	167291	248665	251696	151940	145782	222837	225889	201378	200714	208199	203725	210335	200446	193504	197075	135919	148425	199043	201768	137823	133517	161185	155609
CGP 28014	14731	13963	14034	16331	15287	12175	12861	10815	13693	12697	12498	12588	13968	12284	11750	14962	17125	17538	13715	9579	11770	15509	13455	11973	14972	17220	15592	17850	12402	17527	13514	11894	15021	18085	15188	14512	13835	11530	15691	13619	14533	15986	14284	11783	18650	15850	17030	16143	13033	19267	19337	17291	19084	19939	17427	16551	18972	16673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13632	9576	8043	10220	9768	8858	9390	12276	11211	13692	1	10113	1	1	8389	1	1	1	9900	7535	1	1	10371	11487	8285	8582	9513	9743	11685	11275	10829	9937	10274	10027	8584	9691	11570	11486	10181	10616	1633039	11371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N O S	244340	264166	263592	287352	256099	264753	244000	246880	296659	318828	284430	299332	260674	297524	194233	194925	332793	313305	260584	273692	242605	241976	173512	214712	281809	296612	213765	242654	203411	225178	318025	316593	354104	350947	339886	312953	337052	349263	273954	303176	337109	333540	262705	276913	194059	231551	252386	259917	274404	275243	152155	152855	316585	303791	365781	356297	368268	378503	254568	268637	249461	233089	275734	276087	280311	281945	282856	295304	324222	275964	256592	260129	242053	233481	351208	336755	375229	402748	283762	293797	218972	186332	249080	255453	280195	290833	250907	257001	252680	241083	281490	270348	156224	174439	259482	268991	302545	302756	292745	292994	294876	286372	265066	268762	270787	282573	342259	353194	224495	230480	350623	351172	322948	317827	246830	271417	309932	319838	316979	298346	321574	315730	286861	269843	123235	283702	279807	267067	239988	216574	300517	306964	216688	238176	241868	242843	310908	325477	276993	292160	320000	325500	282369	246867	344980	344417	268452	273831	333980	316649	332242	365153	305322	291619	208656	182342	270178	280723	336960	316221	272205	259281	258143	255522	149608	168229	184445	164520	178816	179082	229156	244999	199913	181099	211674	219801	180910	182060	165345	191139	190568	172419	165592	189970	203877	195719	202894	209924	196171	199184	165759	169460	239440	239042	170544	190731	208748	182225	181303	190083	246585	198803	167097	163866	168630	193742	161886	169009	178715	187100
C6 H2 N2 O3 S	1118399	1116656	1089291	1079165	859509	836164	1119683	1066791	1074584	1077555	763927	791615	990664	1005327	955028	946925	1049615	1049166	987041	968213	716710	711470	1194017	1254695	927884	1013999	949227	976815	1121055	1144695	439659	443395	550144	530795	484199	477204	400183	410533	530672	526038	640347	656130	438449	446320	591349	581559	570102	569048	289135	287510	407718	402431	666753	651073	122261	127149	967908	1022258	968462	947245	970947	981323	851172	863928	966366	935966	1037257	1005697	975756	871139	608258	693368	1138396	1195860	1162319	1149787	1089457	810139	666450	707823	499687	525105	612461	769564	824608	848832	633468	637307	662082	815510	726986	814960	1070042	1159572	940590	920835	1030048	1064208	1296828	1315537	1059619	1009791	1254129	1292797	1263256	1166607	1308000	1287959	1148029	1226908	1253672	1264642	1487217	1234805	1218339	1303004	1325582	1301547	2458101	1295348	2513930	1248904	1324896	15073	2205951	2155980	1291598	1287552	2574198	1239382	1329213	1343252	1305880	1271278	2316025	1317371	1391033	1343476	1329768	2585949	2654590	2395525	1199163	1286484	1395811	1282260	1364534	1326912	1450690	1455531	1363743	1351219	1411475	1294288	1270725	1261385	1267337	2207892	1368984	2859998	2713689	1328120	1367754	1280047	1593514	1105011	1237257	1524222	1140318	1642718	1315685	1569447	1951515	1238963	1638840	1677210	1886821	2042664	1374899	1685926	1715571	1795474	1640390	1615466	1259657	1239144	2295274	2309266	1709902	1762001	1234705	1910045	2246538	2253505	1700576	1691798	2183338	2102887	1325218	1697244	2030045	2093783	1417879	1708954	1287311	1934933	2169293	2217007	1231989	1675333
[6]-Shogaol	36064	51498	55883	54436	54149	59260	59146	55345	51309	50089	44227	50182	43371	33352	17954	86398	52062	42423	50452	34876	42694	46464	54162	58045	70817	73901	68307	69210	68452	67798	57191	57276	54971	60217	60889	66478	62217	59631	53187	56188	62785	56015	59974	59275	58450	49388	53573	57599	59657	66530	82564	74569	53844	53930	67018	70578	54587	50304	21930	25145	21509	22090	20240	21225	21122	22800	20387	18427	21592	22737	21536	19144	15444	19247	21581	19557	22480	23075	24995	24027	15355	24088	29147	30477	33065	37147	33603	37743	36731	36293	41605	43549	47254	52904	50057	52162	46089	55090	48133	53934	43197	50091	53788	56072	40636	59509	55718	58563	47085	48400	56301	52881	1299240	66778	55460	55287	55986	52013	52897	51618	58731	54699	63145	57488	50654	50263	57999	51548	53464	53852	56916	60478	53448	44074	50989	51857	53828	48918	46135	52814	50799	50719	45670	52329	52425	55948	56371	51143	56399	56872	51035	52999	50297	56085	45504	48845	52952	54453	52832	53267	50914	55510	58060	50243	73742	69154	71651	65697	61987	63663	62639	62199	69946	78173	51401	51371	66905	69224	76956	76497	76339	70698	76083	70878	63359	64918	62149	53941	57454	57804	63032	56084	57858	53380	48090	53845	46129	56066	54006	50237	33046	52207	51913	56582	44373	48913	42782	40981	50141	48250
203.0271@0.9355413	598530	608277	542649	557153	721880	700746	507113	515976	756234	717054	747376	733483	666199	647651	451529	430123	718114	715411	649768	646617	680849	680702	330656	351118	713843	763520	565366	558419	389428	398404	893402	888299	846962	847195	877691	861230	903192	911393	699177	690905	909322	913956	801974	807678	652333	640271	680545	678622	842176	899415	697029	700935	751240	751603	959802	957775	926914	924919	1349283	1348952	1177212	1140756	1331757	1331124	1368861	1353239	1435136	1446035	1197304	1162449	1266594	1295591	1018096	962631	1455818	1475169	1453708	1442452	1101174	1141975	509059	481186	1033661	1075588	1087535	1091386	904974	886815	895551	925239	1098668	1098854	779170	802457	1183661	1179525	1319289	1329310	1314690	1306816	1197268	1186555	1200855	1229100	1342969	1330812	1455288	1448880	927479	935207	1285831	1262987	1617551	1588310	352402	358894	370744	372865	396922	399569	406069	398848	340965	353412	363145	363113	360999	363064	314193	311667	385114	397479	300947	305778	346189	356129	418482	415167	378856	371160	409969	406273	333837	338219	426530	425956	359373	369807	429688	424142	415851	436399	386979	398634	276964	271126	359932	364869	449666	440954	341983	340752	354643	351905	252108	260811	283652	283602	258198	265578	328666	334830	287085	293578	319849	329784	274367	274378	302716	299134	334423	330187	301156	304289	310360	316958	339656	346319	353368	363161	265485	253830	402366	407509	301706	303540	360187	355304	305603	316510	338805	340572	252483	246160	317506	315575	233982	238576	278551	277877
C15 H2 O17	800782	797669	754460	755928	1073026	1085266	729208	709690	828024	801654	1014813	987782	912939	877936	882135	887018	743864	740813	843459	850173	1081772	1079770	638932	659638	978770	1024657	952721	946918	719174	747548	1791948	1785572	1792988	1777874	1861614	1855720	1873633	1867171	1782940	1772120	1839699	1807085	1891668	1931648	1888832	1914648	1826513	1863641	1991383	1993135	2043454	1969077	1891699	1891229	2087248	2073453	1869232	1908556	573764	560596	633272	631159	313882	308011	788379	758137	749426	748022	753110	746394	151643	154715	1225647	1201676	1303031	1267733	857472	403491	258239	292963	138140	161562	225328	267540	674334	718616	114701	120957	216711	213500	227631	228818	644560	681042	305374	301018	432503	421922	1296233	1301654	555683	553182	1007409	984807	981482	980025	1406865	1381814	982212	975124	1080007	1078879	1324450	1063358	1307441	1295771	1334416	1312252	1223753	37978	1243689	1266896	1380425	1396849	1267470	1251195	1305307	1304946	54231	1243982	1294328	1307976	55349	1255694	1278172	49401	1297554	1290828	1281579	1260605	1285675	1275005	1277062	1293760	1354078	50228	1361392	41254	1412766	1426883	53130	50120	1364340	1372085	58568	1198289	52015	1422774	57469	1158474	1321201	57050	45999	1418068	58852	1409349	1490661	1472086	1361406	1363424	64111	56936	1159165	1169917	56187	46813	58637	58397	1640533	1581477	1493571	1505858	56173	58391	1328488	51691	54781	53759	1583118	1562606	1251173	1243471	1184308	59316	1581921	1573159	54303	50043	1578880	1608809	1349485	1325065	1764850	1753575	1369242	1387551	1243086	1216858	56725	1310749
967.0077@7.529003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49963	1	1	366753	1	1	1	1	149116	38498	1	1	154737	219749	498709	27127	1	268001	490708	460144	1	1	369147	1	61683	231527	1	72306	1	65771	103278	1	1	35011	46667	1	43790	613199	40107	1576441	1	36403	40339	202529	1	12191	53320	30042	166955	1	1511833	1	1129707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.9654@0.88251	779779	769024	617664	607124	1200675	1177694	582013	607847	983043	939452	1289001	1283316	911992	897653	615322	621246	766375	786541	835284	816170	1291418	1296602	413269	410140	1131770	1102878	971960	970606	512563	508808	2529039	2488388	2352178	2393821	2812560	2796128	2716800	2648626	2149547	2161942	2546179	2541233	2574403	2607202	1468403	1432934	1834833	1814913	2869808	2914795	3314546	3344174	2133885	2140318	3458707	3473744	2270715	2277893	1179363	1173721	872849	850319	511732	493876	1381307	1396419	1382378	1369208	1205198	1203698	309108	307892	1239942	1207660	1462689	1442447	1256192	1024815	489583	510135	120503	119190	302121	299148	903000	929019	198660	190787	204343	216110	239258	249306	422901	487998	249320	236150	296007	307993	1027120	998924	311750	308891	691919	659141	654584	610759	1411666	1407864	529750	518044	850275	819658	660279	687523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Carboxy-cis,cis-muconate	483079	497277	232042	261953	138622	69527	152294	162530	193155	197600	103512	103581	254053	245046	286007	305471	156279	174535	268742	268904	146583	200138	215631	276938	33596	24605	162583	177595	92802	53843	126166	77117	240647	203393	418522	411990	163612	166346	412418	416774	238387	252840	196454	176240	201152	127548	216082	263329	109747	116765	75887	278178	501552	518335	113477	72447	298965	292570	696945	671153	495655	503065	1294277	1229000	988750	987085	589516	604306	435668	428685	894198	884093	316187	368098	491518	504816	591149	632125	846147	898582	982337	911588	1130712	1142561	641353	636988	1282045	1308928	1290771	1339903	869878	832212	297829	326504	1319745	1317711	1141467	1179609	766224	778513	1624872	1602842	597596	606846	591409	589473	595009	598741	514566	528377	415477	389762	684453	619139	177882	188146	243851	251313	238284	258025	254861	246797	200954	184923	241653	235206	260044	268366	326152	328144	227639	224704	264978	274524	202499	195424	180344	183324	226672	217567	228486	259601	204259	173000	117435	128409	285272	286365	388055	374900	296229	304813	341248	352301	323838	317592	230564	238700	372667	364571	257363	248220	370237	379956	461990	468445	406179	412934	391120	387954	254235	242206	613108	697226	374043	381368	630280	606275	360662	374018	508346	504445	380671	368671	708219	711044	536833	538374	446454	447888	1138487	1113144	664695	654648	432471	424298	575913	557405	405541	420578	630435	620998	295578	311376	604738	606761	869944	854794	688729	702274
336.0682@2.5982494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	338924	170550	177285	1	1	1	1	1	1	1	1	1	1	1	1	142246	142460	215005	203835	147365	145345	425191	428644	748974	750362	70150	71187	801878	815202	548408	548337	150658	587242	1	143426	488071	499709	960473	924885	194941	195242	429167	443327	199581	211804	218885	217914	53985	55845	533052	552278	395910	390601	1	258762	1	174866	1	1	1	1	1	1	1	1	1	98734	1	1	1	73963	151182	153485	110777	108491	213828	215313	160908	155840	112970	111750	92896	99826	111666	111508	170943	171229	57875	57634	85768	84669	64892	64908	118813	122293	197250	198756	41548	89988	198888	194957	1	84110	109704	109666	21949	20332	38182	33145	62363	66566	49431	45770	135998	138645	39970	42407	102262	97019	32469	25742	73781	80490	25061	25041	138494	139904	252965	247792	58559	60921	139154	134812	197313	195932	38367	33817	157282	154124	23334	21563	160304	155171	71890	73031	132718	135500	174367	173850	176058	176772
C10 H2 N4 O11 S	923123	926776	914023	902129	1176313	1153808	859564	844786	941105	929796	1052820	1061919	1019437	1013960	1008495	1001885	868051	866523	941791	945989	1128285	1155432	778183	799869	1051176	1096851	1047227	1044405	850503	881420	1610462	1630524	1658266	1624844	1739089	1669774	1719338	1704866	1686387	1650075	1683375	1662351	1739366	1775062	1769472	1750715	1712537	1711502	1805672	1826041	1879695	1813898	1766760	1731179	1839330	1845954	1724256	1751537	649038	642252	697572	683860	395055	397541	842575	826651	813567	819219	802505	813500	215077	210231	1275156	1259157	1310346	1300454	927413	470493	328098	368818	193671	213018	315908	350817	717558	783926	169283	173780	283703	285729	308380	309628	745362	780901	403805	410053	543632	538498	1312516	1319712	678494	682314	1069431	1067128	1068308	1038498	1402131	1391399	1067251	1069948	1149574	1140940	1387491	1147001	1257484	1318070	1339421	1358680	1256962	1274539	1293662	1283793	1398714	1381379	1301726	1334929	1330705	1303820	1284599	1290385	1285002	1332076	1315032	1237721	1263404	1269588	1280238	1290233	1291449	1240731	1272535	1266932	1262928	1277509	1326417	1334514	1332266	1331535	1394888	1388290	1317970	1330627	1344648	1338561	1206978	1213849	1393175	1385301	1196188	1178693	1341557	1282003	1342841	1372044	1374195	1387016	1443464	1425771	1359179	1355483	1588219	1590813	1216604	1207731	1422623	1449077	1450554	1483628	1566955	1528517	1448426	1459797	1585424	1586744	1340429	1324604	1095916	1119384	1513982	1503363	1277538	1263124	1232028	1245878	1491677	1503205	1208995	1232184	1534578	1553340	1340309	1318761	1701003	1652215	1368032	1386582	1263959	1242416	1322079	1326606
?-lactic acid nullnullnull 1.5332376	415051	515484	485307	679310	249810	263749	490137	581703	424489	439342	270160	436723	283559	304092	635605	406967	459940	555192	307742	333282	425396	310357	403012	489443	269462	261459	392218	458486	515933	542128	29694	26258	41628	41719	1	25674	1	1	1	43918	50089	31954	29834	1	1	1	25838	1	15670	15427	1	1	41732	1	1	19235	43585	1	577452	460383	110041	1	1	267236	1	1	84366	190717	1	1	1	1	73989	44112	331722	305533	217247	70036	324914	369715	1	1662839	1	1269748	1	1	1105179	1	1939945	1	2269640	1	1	1	1	324702	1959694	1918002	91491	420328	239327	1	118292	102515	145977	1	57368	259899	163279	160177	136391	120997	138150	1	71450	1	69789	74475	118034	111494	161148	1	77972	70691	95332	135733	99206	1	126081	135217	115842	1	1	156799	108508	1	136166	123173	108718	108544	119247	1	111605	148494	81516	1	1	108098	58304	62388	114936	92330	72822	74554	155686	124474	74204	65500	215277	217531	167527	153935	90221	94442	1	18539	16734	21612	1	1	1	1	1	1	21541	1	12978	1	11717	1	21488	1	1	9757	1	41797	1	1	1	19964	1	25396	57347	41387	1	1	21059	30326	22425	21707	29932	1	1	1	28585	28324	45748	38218	36827	1
C20 H45 N15 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	86957	89844	109987	112745	397678	390744	65932	59942	70514	71160	53671	49115	1019575	1022847	23796	24214	38931	38434	59623	58300	139684	129512	566120	575978	435968	429275	57329	60168	1208238	1179508	779218	788454	727418	711264	41525	53080	699303	700472	538021	550675	50012	49731	351228	346853	137944	139214	133772	136362	20965	20941	102007	106686	94174	82550	178656	167162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
60.0217@1.2836407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41152	1	812182	1	302870	559631	1	1	1	1	1	1	1	580152	729992	1204978	1632043	94223	151447	286966	124051	87123	192521	3201234	191451	1	219979	138468	351994	86132	779547	719281	1	138271	900021	37189	236782	135143	281387	175559	45422	15816	104910	268287	166875	121754	196944	40661	95835	159569	324876	166981	194095	664318	1872123	241023	54488	68452	155600	69676	169018	43671	103841	220945	95472	98090	439442	47657	118226	37438	109322	260584	238912	37842	51961	172138	59872	413049	77779	173611	90322	156286	298089	293285	142120	136667	69821	124012	87589	177368	1467343	290591	76825	201749	298280	67818	192349	1233097	96210	261668	252386	466323	63398	190503	38137	250188	195876	208365	104760	96886	58057	1	27582	162487	161178	131334	114923	241662	1	110238	352976	71352	72488	247993	73232	204291	186167	36075	202701	240662	1	73906	182999	187381	178115	60833	96542	85767	108859	142413	1	131621	317663	102209	68538	240172	153739	83728	147119	194364	214253	214482
C33 H50 N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53274	57102	43468	49227	58058	45732	53710	64528	55299	48544	74801	55643	69997	62480	95650	108311	84931	70286	73246	112735	161680	150147	1233383	1136404	1627605	122383	109788	96542	80692	77099	68455	83796	108369	104580	171591	106762	342845	118041	196073	127882	153014	105707	173810	141098	115201	111910	395903	149617	116323	114095	212334	139116	117358	99478	1713420	150188	167935	205320	149277	148299	205384	183892	173084	156535	136191	117545	200465	150127	154447	153052	159001	145931	155300	196339	195988	167727	291916	141139	149452	182804	195053	168493	165711	215715	178704	456537	127037	227219	145168	130112	122649	111973	254715	135955	130483	127261	371077	238186	147452	159690	155337	147052	167468	169065	216477	121174	233660	245366	251762	237878	305591	255963	253692	195556	231292	196005	792213	2099288	8902755	1287191	366050	205446	944700	246567	224732	215868	216767	252881	456482	207847	198533	194843	201715	186037	192479	770420	219811	210741	342011	201713	217524	216588	478396	809850	262010	220942	276861	190336	288731	967483	158469	1975075
Theanine	27782	30868	54213	56224	7291	8516	55347	47852	55602	51957	30708	31741	38285	30673	69496	71722	12822	17400	24788	26028	1	1	34664	52252	1	1	18281	18132	85351	93257	27680	27543	9699	8834	25285	21471	90444	80246	150642	150190	30695	29431	61127	60238	13456	17917	21247	24943	1	1	10330	7602	189717	195611	61676	66916	59601	59813	23489	24001	48448	48126	505898	489586	40109	41083	83796	85531	72112	67263	1344781	1351017	36690	33030	14257	13342	34492	35335	105437	114745	799036	754510	597386	615051	119943	115941	711942	720631	729117	791892	1317727	1331029	35361	48619	1305708	1245414	977506	1019039	21949	20336	351654	348519	119532	119787	347579	345174	45421	46101	212488	225226	22849	19358	178859	167195	50727	50071	24274	22413	22067	19505	1	7293	25484	28613	10428	9118	14316	16293	1	1	50882	51717	12518	10142	64731	54285	60550	61289	10815	12320	1	1	15148	16901	57015	55452	23988	26909	24489	21709	1	1	36479	36550	19618	16788	34362	36636	19799	17534	1	1	33144	31631	59834	57803	101369	99562	183557	179057	67733	66360	1138096	1143679	281668	287131	269638	274430	74857	75815	133685	132687	39820	41054	1127326	1168183	1811385	1860900	197131	199048	776090	804538	2409931	2434890	31215	29183	1644727	1628676	38624	42336	1249747	1222607	90007	87409	1008851	1019144	1502591	1533871	2013691	2008908
C13 H18 N O3	31737	31688	34497	32586	28186	32613	29198	29451	26078	31721	24761	25014	27613	30698	29410	26705	30392	31458	25326	29499	27716	29341	31277	36571	35893	33722	33972	36590	34798	34389	32644	34055	36166	34182	31547	31654	31913	26979	31833	29712	27785	26784	29834	34700	35768	35218	26956	31382	38262	38541	33561	28652	37428	29296	38975	35408	33152	31096	11764	13123	10577	1	12597	11662	11018	9189	8940	10805	9114	9936	15177	11353	26194	22219	22597	21031	21262	19897	21430	22827	26871	23747	22577	22860	20942	20314	24298	22448	19632	19874	16926	24187	17835	22470	24851	22028	22873	23081	20315	18691	23136	24848	22546	22097	23530	22263	21879	23516	22162	20402	24471	23427	1281885	25474	39395	36242	35657	33555	39179	42748	36320	41256	42539	41137	37135	39374	40388	41857	42720	42679	41172	32784	44662	35205	40042	43345	35690	38701	37741	42050	33079	31384	40656	41963	36538	42230	35991	34866	36193	40931	30183	31068	39654	39901	33461	37308	38529	35166	39335	40551	48561	39741	30481	34421	37290	37891	43155	37490	43726	45877	41648	47926	36607	42674	38255	43952	31824	35753	34295	35954	36386	30661	32498	37953	36188	41605	37235	42783	31005	28515	40220	45637	37418	37845	28005	34496	35039	40379	30984	42422	35606	38337	37216	41539	29496	41428	44138	44534	37366	32239
699.3955@11.409373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44535	47010	66458	65355	40972	24493	43094	39441	19348	15418	66164	54223	115456	76235	37201	31210	63363	47773	44679	37960	157255	174765	1337109	443906	169175	124364	104632	101011	43225	35250	60972	71263	79244	60283	36092	32061	150723	70698	181542	112240	87681	64819	189728	159945	68781	63536	284951	78568	42722	42411	171262	104373	63631	64724	142894	64729	43802	36229	62826	67786	24742	29073	34399	39405	22614	21091	38464	34071	52489	46075	59876	59582	38697	42404	48798	58364	57614	54504	38533	35010	40104	41668	58297	59035	44143	40095	25777	31755	47614	51555	22768	29344	53390	59997	36095	44637	63895	64276	28473	34105	39891	36313	45529	49574	50654	53128	25052	38209	32764	28739	16967	25025	1	1	46489	24521	92205	82962	40767	31491	1	1	13746	1	16843	17906	38334	26144	46397	28674	29329	28134	16134	19420	17162	1	21280	17505	47238	20447	1	1	110694	18720	1	1	28628	16219	1	31286	26699	22961
142.0252@1.3064617	1726103	1755195	2723493	2801719	1642808	1576302	2558498	2525993	1868710	2032753	1510530	1539152	1579999	1586340	1526359	1482446	2099153	2259263	1741321	1625853	1412348	1462251	2182480	2234024	1793232	1902994	1839277	1875836	2799290	2794082	1307136	1284095	1371870	1302633	892766	878774	1156571	1144762	1223338	1204983	1248588	1249734	1294123	1334459	827011	823756	1449426	1443878	741700	741048	389942	408309	1599473	1519328	690738	652053	911892	927424	1	1	1	1	439423	354406	1	1	1	1581485	1	1	1626000	1680458	1450748	1340602	1	1	1	1	1	1	783644	659387	501075	437127	1	1	1336156	1602166	963762	966612	1409142	1442887	2040697	2053709	172686	171169	990904	954133	1	1	429940	117099	1	2032061	2657271	2627810	1	1	1	2076853	1	19359	1	2870643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Malate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	142886	151952	282095	290565	705230	717586	136362	138042	204374	210150	172945	149995	1131338	1190677	314493	308810	136956	144142	135250	130191	295466	329787	885152	743096	526025	532575	192653	190349	1350642	1422033	982976	1009180	1068100	1113445	268876	64138	1028287	1101013	601701	606826	201639	195916	638177	661101	365337	370206	507091	462639	100684	99763	620251	615842	112483	111135	376238	486228	134978	137326	78577	75660	32719	155739	54553	47702	141054	143331	38040	41229	68117	71180	40242	39819	147035	146548	27023	29987	32986	152856	167735	41809	31878	149702	65813	67449	36604	39940	150991	157273	72002	69165	72413	72598	52146	175779	66913	69110	30197	32210	35756	38858	79477	76088	27141	26708	60183	58382	166371	167339	224630	230450	224993	227707	162109	158514	375650	377087	301159	299754	334758	340807	182342	168235	341240	329964	122605	125559	522651	519234	516767	531878	251731	253915	523865	519767	446936	436864	166536	165884	422956	418188	152010	159415	451938	430598	188590	190912	376757	385046	791056	780520	419468	422609
127.0113@0.8876197	319923	312641	297109	300435	229600	217578	303955	303681	283996	291846	197702	227488	258596	263898	282878	271037	280980	274741	255648	247758	185457	191369	361166	377375	243425	260193	258191	263779	320922	317367	88333	90314	115167	108364	94898	98448	80464	81011	112920	111527	135441	140179	85475	95269	144187	141288	128527	127455	60507	60909	101502	95188	158022	157141	26857	25947	208853	212746	507183	498961	520686	525745	928227	943052	441244	446928	436276	445943	299341	309177	1114913	1127134	499051	475261	403849	384843	471531	423992	543123	562071	935816	940718	796749	791507	294753	318006	1377928	1382726	1084337	1133825	1013873	1033698	595396	601216	1183256	1212227	992927	984574	492154	516132	853330	858894	657314	663698	604829	596328	283565	282277	617924	623443	570375	574613	745491	712171	224352	218147	181662	177282	232624	244613	205812	211359	125904	118875	231025	227008	238717	241533	273861	268709	206975	203375	269454	281807	250316	251233	207729	216232	240152	231573	249820	237793	240832	246470	165228	163824	206058	208102	122689	116612	231150	226474	166819	174749	330963	335604	133571	141314	354760	347568	295816	283514	169075	162032	79585	73883	70495	72060	124320	120221	56248	58528	213279	220956	85828	91193	162866	154273	84018	78120	107888	105771	58094	56625	208524	208113	296691	294783	93262	92448	206963	207837	234096	242133	88649	86792	235959	225791	79722	84651	209510	204747	93121	91733	192974	204135	250625	263848	246663	240965
Glycerophospho-N-Oleoyl Ethanolamine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30662	20668	45724	37133	70619	27285	58732	50483	26458	13314	28824	16923	56173	22937	47629	38761	30317	23059	28073	23871	187812	148711	1089528	266584	74900	29183	35332	22843	10037	1	32654	35768	52446	28857	20717	19778	76614	19709	102646	35223	75096	51673	103818	58881	38375	32342	512947	86397	10680	8900	124686	58922	34409	39098	62824	38580	1	1	1	1	12487	12980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24402	49983	1	1	26103	11642	1	1	1	1	45985	39135	31894	22332	57327	44732	36415	20087	28662	18675	128000	98579	19540	11983	18746	10225	45111	27530	17790	19463	32528	13266	38211	20688	26969	27588	20279	15064	14759	12324	27019	18013	37037	10883	19179	20588	138700	17151	24931	17566	57207	27561	81334	137915	32121	23830
79.9661@0.8809991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	865463	837394	815568	846458	1029737	1015101	758873	741344	709712	726072	679943	698285	1336398	1333698	929422	899651	737898	735893	700407	689503	828600	869477	1163054	1128819	1020108	1037233	743706	750813	1461472	1431463	1244600	1272655	1194535	1256322	840460	948561	1467420	1455443	1309981	1301486	1001717	973358	1169907	1199729	1154432	1152046	1043590	1013053	769791	757728	1166994	1164385	1007500	973403	1274354	1096055	1	878821	763640	762851	1	1	730261	1	865910	856381	817901	834364	853955	1	970371	1004987	806914	822463	1015948	955372	1	1	1	789401	851640	862269	783939	770652	967203	979374	784614	1	900076	879779	794924	772944	1	754713	893968	883711	855048	1	935224	962632	1	657368	950297	945317	930186	948209	602993	1	654881	660950	1	1	671070	658672	1	1	668180	674458	832393	844282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	910630	643399	1	989856	1030239	748690	1	1	1	1	1
204.0511@0.9399996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1006301	1007789	943814	952689	1251773	1232920	1378471	1373103	971189	980614	962271	948650	1184007	1164538	822223	777534	1108662	1109827	882258	927249	1327189	1323970	352707	361634	1267278	1285376	1055012	1002284	288491	318696	459772	498819	1096956	1087463	722803	780379	398701	409645	1161286	1174394	809898	776727	1351568	1345055	1340697	466710	1336500	1329051	1084625	1084170	923628	943673	976222	968884	1256944	1219172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H45 N5 O7	181053	189174	192032	182502	187073	177270	168886	170886	172080	168505	166266	167249	171032	167989	155983	162338	150662	171015	162670	158527	168944	183625	180735	197060	210254	214662	207115	220066	199827	209838	200582	209762	190648	202127	247739	248585	210149	202237	211931	212243	215489	213998	210761	215452	210247	201291	206909	215203	223001	216811	234226	222645	216064	219950	214870	220080	213441	220723	81333	83282	74193	79389	77579	78776	84119	79971	81563	82944	79450	77089	76171	73861	207729	185541	185627	189583	184116	190154	183702	179129	159958	178614	168855	168671	169662	167471	163008	158028	161881	166684	175034	170907	159036	197887	203002	195066	192770	198357	213899	203555	202244	190354	211997	205058	194148	200624	207873	188805	203800	209011	203112	200176	1402435	220703	48030	49199	49154	50212	46639	46147	44362	45973	48226	46844	47116	48235	46191	48218	47989	49305	45302	50985	46415	48628	47323	44781	47159	47826	49030	47226	47766	47126	47912	47285	48086	43833	47479	47337	47482	49308	47357	51560	47141	46439	50217	48345	45316	52050	46117	47557	48150	47607	49636	51623	592877	595619	625040	577381	605773	617387	640437	619724	580342	601329	577429	593628	624440	616859	370462	352077	342366	344841	340638	343632	337610	352417	324854	328572	325457	338876	347310	344940	334884	332848	335576	333422	353449	333199	323375	344611	335133	340822	343763	343201	337688	343510	360236	344017	355674	338572
tridecanal	173798	192269	460611	259068	208844	309395	156085	418140	517722	167142	468383	377441	31063	280097	297549	178473	341485	88276	167190	424691	192709	177652	384093	230598	195424	1	456814	178638	422568	1	381948	431233	170287	117667	153808	512047	125885	187897	262897	76891	351091	453886	165154	397958	402818	216683	447530	199630	167214	442335	530687	88637	127889	560245	276547	587465	208218	597080	121355	56246	63781	238691	234826	98994	111952	71754	248301	178982	170812	84968	130448	46951	198328	341395	277618	321082	34214	173808	304581	319193	217044	358020	358957	281945	324346	328239	282879	278238	134354	150345	117552	278403	250880	127982	346401	106893	156354	74039	348013	286407	99883	335451	158985	338263	132984	374563	415349	376170	138576	336917	142751	104963	4257156	160703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
521.9177@0.835018	605755	597710	562882	555816	832729	828148	497033	487033	580011	593341	802966	785160	712068	711208	649146	642827	524453	513604	590070	593613	805311	819189	436050	447507	733226	739423	703672	683090	492268	510589	1559121	1518322	1569136	1561160	1633131	1615110	1682800	1631562	1553630	1528168	1599475	1519092	1689515	1669479	1678106	1630489	1533721	1622942	1686059	1761051	1880803	1825682	1689730	1681601	1883675	1892403	1634532	1624902	440132	446487	473685	485105	203163	210475	618980	604447	585969	583009	590334	583902	89818	88382	935480	925220	1037288	1029272	669513	305842	188561	210790	83770	97515	171189	193240	541313	584080	61273	62134	129505	137965	144393	149023	466871	462149	176694	182317	283704	273088	991269	1000309	368930	377580	718888	728100	731729	732916	1125548	1135175	740277	733789	842470	842992	995977	800735	1182960	1174422	1200809	1199511	1081017	1114939	1126633	1139190	1269533	1275743	1117841	1133728	1159363	1156017	1136985	1118620	1150432	1164455	1102940	1103080	1128389	1131879	1139864	1150076	1150246	1116794	1113567	1090892	1138495	1135104	1212766	1209237	1191498	1190681	1268512	1245364	1144762	1147944	1209659	1188100	990236	969998	1237528	1201616	945940	935712	1084656	1059858	1144911	1234769	1176760	1171927	1241460	1229757	1119451	1133840	1487458	1447024	921538	944808	1248468	1223916	1233883	1283268	1417677	1395983	1275313	1293770	1487273	1491287	1110314	1089366	836479	847199	1388628	1352890	1028053	1013466	933474	960801	1405564	1386387	965086	972167	1396223	1424564	1111522	1104090	1581028	1565885	1151386	1162283	985075	992762	1110075	1122221
7E,9E,11-Dodecatrienyl acetate	35829	36840	36287	30856	27765	27567	33613	25836	29124	33856	25025	26959	57808	30657	32981	33579	38978	30725	39478	28027	29537	33310	33576	32328	37223	31103	26337	32424	28726	34485	27440	30228	30645	29795	30067	26128	30063	30586	32867	31103	27899	31037	38172	28690	32649	32028	25887	34108	30139	29486	25302	26599	29930	32545	28173	32354	31880	33855	14391	14404	12284	14077	11463	14301	15201	12399	10392	11394	13923	11910	15343	15385	31928	25266	21872	22583	21015	25372	30288	27153	28354	29938	28387	34659	22230	20800	22448	25740	26968	23375	20393	23682	15896	25083	28803	21561	27759	26484	24676	27965	25333	31916	24466	25514	27592	23445	25393	24151	28432	22680	24814	26602	1105691	26343	30357	28773	30195	29935	32830	31581	26879	29098	30444	29269	32296	27139	29824	27855	34577	30198	31913	32058	31797	30969	32135	31126	30792	31708	30896	29270	27015	27707	35048	30048	31932	31117	31467	27271	29220	32363	28685	25297	29602	25543	32982	31914	28125	31753	30687	34752	34053	35056	25230	26714	27484	29786	25321	29135	35492	33061	34865	33015	30379	32542	33271	34695	31412	32529	28155	23671	23682	22290	27997	23670	26741	25344	28061	31417	29078	25705	25197	28362	25531	25774	27232	21682	29964	28475	25954	24651	33327	29594	24516	27584	25479	25078	31357	30670	25501	27111
2-C-Methyl-D-erythritol 4-phosphate	1061112	1108001	907366	894680	745435	757853	1089505	1090264	642068	653740	598617	641007	993082	1027804	1667544	1664078	696223	666527	722708	728152	812514	841257	1098696	1093478	774603	777023	970270	1019002	985927	972867	3528783	3515309	4785037	4586912	3637304	3593587	2972649	2948589	6072589	6024127	3610420	3596676	4837846	4993443	5899016	5945977	7341022	7397463	2329733	2257856	2691424	2799683	6587316	6319007	1661620	1591558	4010022	4105370	596332	609970	499836	475987	742068	808329	733262	737125	692333	680604	598121	626549	1008366	1030572	798310	734713	630761	637336	786551	647675	658863	662987	1275792	1178257	1045710	1070482	609778	592755	1197625	1180649	1176621	1205652	1097053	1104590	325232	540356	944678	992681	1231559	1220690	931638	930320	1250546	1239200	770009	767196	1118248	1110563	483318	473661	1072069	1085802	974629	1008440	1479349	1231982	523920	565068	499637	496542	416705	423021	221580	220580	310513	316665	151481	153334	1106131	1126313	258435	258535	276327	279853	291073	295044	517034	543953	542966	542025	381228	386094	179781	178928	265663	253390	358359	366350	197563	201903	731961	800616	236594	234026	622253	614879	621724	636389	561778	561096	554068	552181	180509	170228	836871	888980	1368059	1317972	1574800	1498311	2091703	2066516	840755	801530	2873775	2848865	2019107	2002221	2790356	2736457	2323176	2212278	2320314	2326269	1681919	1696190	2986845	2840081	2874192	2854941	1896594	1854969	3375545	3393093	2626323	2645689	2228618	2214438	2790591	2674542	2302838	2275550	2701494	2439558	1706658	1690768	2678792	2660705	3575418	3783993	3190908	3216248
Citric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19524	1	116298	107260	389954	379023	14520	10532	26878	30162	23426	27318	668443	698240	11276	13940	15508	16693	8054	1	42512	45509	504684	354737	116281	138184	28278	26255	1192860	1247275	590691	598786	610008	602978	1	1	651600	673832	208482	204096	17777	18160	287969	288060	59893	60823	65160	56034	11132	11908	64282	64590	15287	13499	90890	99684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0229@0.9335251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1474816	1467176	1235286	1271613	1680623	1637274	1314055	1317674	1431406	1439572	1320303	1315652	1615667	1615118	1218638	1146042	1542503	1574546	1393370	1426405	1114514	1207627	702586	714522	1246598	1297332	1093210	1073645	1621349	1617452	1262548	1323704	1532813	1543603	868119	1041176	1842456	1807292	1550243	1574790	1410837	1425988	1446936	1510395	1665782	1766175	1907471	1879357	1492992	1514691	1398242	1421216	1534254	1424062	2102226	1925147	408550	430884	470452	432069	495632	501827	535456	494197	416484	407452	425196	430646	408945	420852	369373	332002	465160	487734	360625	363412	425767	446236	502899	531124	447444	443087	521127	528727	393505	392449	544786	554072	426281	443225	539901	533544	529665	524801	477756	483403	323095	315229	415586	447354	580020	582221	409997	409417	416753	433019	282515	269129	320534	308341	285324	288418	358570	366275	357158	330213	361819	378614	347934	351165	356953	313653	439799	425736	321572	349545	432760	441969	470407	391119	413241	412381	358057	345271	502856	556254	323702	341182	433457	436558	346965	333485	442394	453343	251417	264194	421951	419622	338559	351268	330454	341296
144.0043@1.020592	863648	881475	758871	822772	615262	658058	695321	711895	810890	796719	593623	633045	762902	737455	970134	804462	523398	720147	765541	767744	616015	741473	791905	811032	794716	772866	784855	704754	670482	660555	1056330	1082025	382277	430550	1058433	1174208	1122333	469048	880166	859182	317295	341989	554024	513969	230847	766191	329328	865651	332175	977164	640353	619359	1066949	1086551	1060639	1198876	1034968	1059744	1029007	1088938	990647	940843	1296900	1299430	1460677	1434919	1059521	1053991	1023953	984905	225323	135355	954486	860655	1168325	1282979	1205821	1266694	1540588	1580262	640736	501010	1438473	1404476	1235557	1210689	806442	845343	656004	682561	222297	305129	865912	849818	382570	405857	1299695	1319711	936605	1010149	1512652	1494957	614122	611570	683526	644517	1239758	1231680	1065552	370283	1111015	1055301	1358523	1349993	23327	24633	1	1	16062	17832	10947	10103	1	1	16026	18664	16101	1	17732	19896	14057	9731	26638	21890	26384	28440	22827	26609	16181	19141	15013	1	21103	20305	1	1	1	1	1	1	12436	13103	1	1	21911	18377	1	1	20191	21290	16564	15035	1	1	23474	25977	1	1	1	1	1	1	31806	35512	12329	15672	20389	1	27213	27670	39004	36809	19593	19192	31907	33503	114561	119021	15259	15811	44563	45213	90982	95674	16485	1	72018	76541	1	1	29451	30522	1	14821	29517	28679	101036	102700	47103	41359
450.3191@13.380218	329843	454159	272841	379090	184884	336913	182849	95632	281361	219367	426797	258611	419820	313744	748475	666326	723273	1241807	482411	166196	583777	666928	302939	264818	654934	368783	409727	293367	247190	300172	113192	54126	133480	54959	59807	70930	74224	133571	366847	492689	172566	117062	65111	52467	134635	131264	440044	272201	75292	114543	181600	90056	361185	325866	97208	103156	161451	97208	25985	27938	15307	11367	11919	28682	21089	10348	20372	31643	22295	34550	10096	19422	54956	36316	30983	39426	18217	30459	30731	33271	434842	45679	14336	69221	45170	30717	31456	27091	67555	43034	20491	49884	37709	37152	41491	61805	101812	79618	38873	35431	304461	86913	59355	34383	247912	92366	50583	59481	105260	46336	39565	42892	4877051	70796	98876	76779	67957	90000	78238	79476	60851	62535	73140	85888	86790	123117	58998	102092	72399	83078	53107	92581	98238	82663	107446	71362	104370	63540	70332	93046	97836	87353	78614	86965	56213	52253	63144	91753	50506	56727	75578	66722	55026	50419	123510	129163	53311	42695	90400	114231	72623	82455	57747	69182	133561	243523	181882	366788	158096	87942	160018	84590	195561	160569	608059	288044	97681	86492	108041	76421	183016	122418	173645	169361	87917	78487	105848	114964	153211	168906	111318	121856	96921	87931	163712	101593	195803	142550	85478	180256	639537	86098	89836	89227	216820	152315	343160	606154	294665	123218
681.3833@11.780782	248869	124018	25204	34092	21267	15553	19172	1	76651	31269	61615	61714	319969	94209	280255	153103	1568686	290077	227213	99036	111559	176191	16853	11770	30385	1	19439	1	21242	1	31481	31100	42110	45253	14045	16254	36471	53712	150240	184890	52431	51818	56420	54113	73155	83575	249362	107557	18713	25669	13921	1	231355	91406	19374	18427	94564	61834	29726	22235	37976	37219	109634	32488	40315	39239	13645	11640	87856	53560	170242	48007	24596	14345	24218	16519	16347	13953	129297	138256	1461168	501566	147037	64974	64227	52643	17066	1	19796	30746	68373	30503	1	10863	214415	38937	148141	34435	42064	25852	179829	118148	26507	22831	379299	59885	13906	14958	145607	73207	19491	22453	133203	30554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
115.0317@1.2582748	1.85E+07	1.85E+07	2.07E+07	2.20E+07	1.51E+07	1.50E+07	2.18E+07	2.17E+07	2.05E+07	1.94E+07	1.56E+07	1.57E+07	1.70E+07	1.68E+07	1.66E+07	1.70E+07	2.18E+07	2.12E+07	1.92E+07	1.92E+07	1.40E+07	1.42E+07	2.39E+07	2.40E+07	1.84E+07	1.87E+07	1.86E+07	1.86E+07	2.27E+07	2.29E+07	8962	9062	7297	10401	16143	15825	14633	11814	13262	10740	12590	12205	1	1	10170	9114	13232	17226	1	1	1	1	15834	15671	1	1	23683	22935	173561	147593	158589	152834	301092	284862	133263	125425	103903	93720	85762	88989	595230	587025	108318	102613	124616	124236	113126	116717	170873	174747	322077	303111	235528	238689	86224	83474	979820	1016961	515496	533470	440089	421320	114870	103095	446464	435749	388931	377543	138005	135614	258388	257342	212305	208808	175581	192011	67006	58388	144403	145645	164516	157536	1101852	231744	37202	41537	35204	37867	41154	45527	50592	49005	36659	32490	38183	42363	33046	41554	40193	34874	43663	46891	39405	40901	38663	45639	46205	48369	41485	40624	47437	44094	40959	38830	42249	46438	35707	37574	39335	39994	40524	42893	37532	38258	33349	35961	30339	28995	53908	55735	36165	37636	34331	26775	20225	18207	17538	16874	17286	16684	18338	16759	25980	36365	17103	21255	21933	22236	16758	17777	24526	24357	14036	12745	28378	28940	39832	35088	19432	20331	27820	28692	38122	32226	21828	14964	28654	27640	18432	19712	32473	30276	15493	17908	23324	26191	28656	29355	22749	24184
4S-hydroxylauric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107733	114215	107420	104204	111056	249489	112101	110652	115565	68159	1	96833	107946	100046	100654	124555	123624	126577	120403	131283	138037	134376	301567	136292	107139	125881	131560	142852	132444	111821	52196	126392	132868	67583	89680	156749	70774	144889	345618	156618	136338	114289	151806	106829	148588	146112	10610	133796	168478	345268	380476	108895	117034	235973	4385416	137538	132231	168237	150740	68381	179992	181327	375392	128813	136689	122978	112039	148201	394388	177195	170941	151603	170779	168847	154336	117288	162827	159271	145673	111503	138720	360020	100824	155478	112397	149418	177519	150568	153448	103528	42811	160308	128429	162805	31230	124965	108679	170095	164424	171828	101711	102261	152422	155924	176534	96354	187635	171777	190095	124319	208014	184602	154850	184231	201976	177898	173670	193509	40786	172013	129958	153339	155175	92619	162863	101001	355231	187388	93766	162417	128377	144024	185295	96746	383065	177051	192134	164162	121018	165989	374497	169547	142113	399844	137552	377203	186354	76370	197347	79909	1	189506
C27 H60 N18 O3 S	38341	37026	38608	39031	43781	40792	33503	36588	31900	35633	40768	39087	33283	33534	29931	33800	23175	29207	29268	30669	35861	33886	33652	39112	45367	47620	43103	42428	40075	41435	46541	43056	45508	44314	56432	57749	50404	47461	43564	44935	45814	42476	45284	46352	37615	43302	43927	43245	49121	51017	60346	54775	52746	53617	58877	58825	52289	52430	20019	22162	21516	20196	21180	21469	23020	23248	25783	25598	22805	20044	24329	21807	1	1	1	1	7086	8025	1	1	1	1	9807	8704	7723	9619	9321	10477	9783	12517	11611	13339	25867	32048	29632	29706	27488	33882	28496	31068	33494	30443	31992	34961	33327	33228	36049	33480	33566	35281	33213	37577	1144766	58685	36243	37351	38007	41039	35970	36744	39321	40400	38645	38791	34748	32192	38233	37953	35387	36383	33910	37474	36069	33698	34951	33663	37328	37446	33013	34975	35295	33863	34792	32150	37380	34765	35422	35468	35893	36578	36476	35518	37558	35052	34484	34144	39549	37800	32106	34481	34425	33383	33723	34378	179938	181582	178331	176565	167304	176492	182077	174238	113843	112789	167804	175278	171720	177422	218934	221985	209713	206078	209656	207855	188437	188787	166922	162501	185128	185609	172415	164605	165839	161590	175051	175517	160899	165205	164051	164420	138616	147418	156384	150442	155889	161151	152906	149582	126172	123505
314.086@13.581408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6306	10885	86255	36896	20226	15188	1	1	1	1	1	1	1	1	1	9776	13823	14400	10930	12683	9370	10298	14978	9974	8407	1	30386	12987	8978	1	10871	1	1	1	1064004	18250	10881	8127	1	1	11697	1	1	1	12359	1	1	1	9662	1	10407	1	8252	6758	1	7122	1	1	1	1	1	1	20574	11326	10610	1	14351	1	11174	1	1	1	9870	1	6887	1	12636	7602	8322	1	14612	8528	14383	1	9374	1	11990	12077	20519	15673	14255	9994	10840	8390	21175	11283	26270	27346	19496	11335	10153	10647	34385	12981	17258	9809	12288	13855	12270	12580	13393	7380	10176	10320	8148	8778	10389	10630	11079	8261	6727	9331	20767	12675	10449	10216	11219	8796	14022	24995	16407	10201
Maltose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	644259	641880	408134	414994	236090	239791	267720	265889	231112	227510	75475	82915	229105	234781	419165	397917	439343	429804	319284	321099	488143	501959	159314	154885	249250	256429	115171	108712	428353	405211	470982	484021	202146	205583	216556	246137	247594	241813	378089	378887	681414	671851	614325	609337	332911	337964	411714	406630	59492	63443	1069332	1073489	568197	553365	417797	365602	37456	38130	23903	23493	47725	49469	31862	30450	37871	40808	35141	34662	33500	35618	56358	56673	35718	35444	31574	36323	44932	42341	40879	41831	38805	43020	23810	21592	50108	52482	36881	36688	32252	30319	78646	75500	58478	60546	66438	68555	75184	75202	66024	63977	54982	56348	39046	35800	98145	92982	31030	27954	36625	36006	27048	28147	14968	15165	4169138	4245997	35894	36908	42873	43688	23124	24381	52125	52110	16789	16241	26896	23294	54274	55396	45342	46515	26382	20904	19250	17744	17713	21327	46690	11499	18410	18094	97934	101588	37172	42963	20642	21708	25523	24796	464327	454610
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate	2.32E+07	2.33E+07	135591	101475	2.17E+07	2.14E+07	3.03E+07	3.11E+07	2.95E+07	2.86E+07	2.27E+07	2.27E+07	2.45E+07	2.45E+07	2.44E+07	2.39E+07	2.74E+07	2.83E+07	2.71E+07	2.68E+07	2.05E+07	2.12E+07	3.35E+07	157209	2.78E+07	2.88E+07	2.54E+07	2.52E+07	3.31E+07	3.35E+07	1	1	26607	26033	1	1	64413	59735	1	1	9264	7367	12479	10492	8565	9369	11815	12155	1	1	1	1	6845	9428	1	1	7407	10121	81540	80251	123567	125481	266904	255325	49757	48104	49976	51947	60795	60380	484315	482293	53234	50240	53995	54752	111088	114552	116411	126178	432948	433717	398380	399283	72900	70167	1048878	1087156	266760	293149	385896	377035	58671	110936	587010	581561	714746	769273	117242	124960	358516	363233	168620	166933	155632	154825	34828	33054	158708	163993	150959	146544	152567	129663	2549803	2518746	2303098	2326106	2777793	2829575	5751904	5726324	1781109	1783606	6604847	6653086	1838922	1870076	7581428	7581336	2345288	2357069	7545182	7577266	3016087	2975580	2931885	2938195	6840035	6975827	8168272	8155947	7015199	6921539	2465139	2444224	2239917	2261728	2341588	2335190	7117445	7187840	2518158	2533793	3609707	3534018	1934776	1951443	4594762	4566542	7092024	7164294	2414239	2462371	13889	8257	1	1	1	1	1	1	19006	19571	17752	7959	11153	10494	17606	16549	1	1	10643	8886	13100	10522	34845	34355	15539	16908	9391	8419	42649	42843	6757	8751	28377	28637	9587	8852	8769	10260	1	1	10190	10348	9748	7926	22575	24585
PS(21:0/0:0)	1985944	1594338	566635	845596	638694	616150	545351	333659	1097774	756845	1135778	1288239	2449782	1047336	2881509	1680346	8163128	1569695	2083204	1146360	1453774	1903975	571463	535128	1284991	612981	661314	446289	598695	443860	25221	21864	20247	20544	15748	15469	19519	18905	81537	57990	22085	21671	17184	15585	67959	64757	88626	55799	16143	17384	1	1	86756	43993	1	11386	22886	22246	71324	58418	40152	40555	123435	74457	44637	36894	29274	26163	28559	18231	106821	61217	40482	38398	23295	21065	35843	29416	183312	157804	1248114	401156	135041	70116	40867	30935	62821	60582	90324	101990	124006	79024	36912	36034	174938	69425	169625	84586	80502	52766	220492	150418	68294	60456	400263	81638	1	1	138937	84400	52589	56392	112636	49825	47173	56626	39453	44647	132216	133364	48456	46462	39186	39212	64203	63020	66340	65001	91915	87191	56139	54178	96180	94853	73687	68292	39947	39514	73874	69029	69559	76520	76281	82299	33173	33014	46725	53258	36498	40571	57291	63128	56148	48547	169670	157436	53328	55637	103125	104731	86037	91937	64422	58357	81234	85551	70093	55098	96039	62679	58269	44961	69422	43322	248458	203164	67331	65406	56868	50726	98299	73864	46180	58534	68232	41534	79331	51886	45330	43413	77262	40751	46351	35961	57330	53122	94274	50036	49835	47911	252923	38644	41005	36245	84758	53630	181166	292428	73146	83580
4,4'-Sulfonyldiphenol	467529	464659	426366	418845	504090	492199	410598	406825	521465	539015	518833	508310	488350	488459	338378	337037	513586	493114	458758	461997	453650	452352	329067	320660	478730	527915	393636	402529	324480	324625	545395	534575	516014	515512	534490	523913	537396	534661	427207	435220	542769	562685	472581	490993	395661	402390	413896	432682	492002	516597	450070	434038	510429	494016	578609	579486	610103	587201	826471	832185	817977	814446	1565874	1578199	803737	800025	800473	798563	648515	640008	1800958	1837729	805916	757470	782202	777245	822474	786340	835035	874998	1219073	1245450	1116404	1165349	623872	611550	2416582	2481965	1834065	1924069	1624292	1674873	864683	886572	2078182	2066739	1585902	1602977	858209	868595	1347171	1357579	993921	1031434	986544	988212	722305	730014	820039	837548	923151	899787	1029551	1101709	676119	682882	678207	703280	773480	789392	766637	751127	635151	622401	721960	711718	702719	696594	641033	634441	722356	741502	637240	637101	682368	654888	744168	751582	699741	703340	766205	784665	650781	648570	725129	753522	648272	667046	704343	706483	742683	736578	663994	660178	590184	604235	616764	615398	885587	879084	671648	660857	606574	608642	473278	474018	505283	509711	481831	497966	577588	579870	584306	580541	570078	571488	486465	489089	522458	507861	590494	567583	504682	510806	582254	579542	699536	714852	592386	601977	501226	507044	757861	766653	527721	530518	706092	693210	551145	515060	615120	621788	440695	450751	586899	601664	476176	481384	575856	560749
C17 H6 N2 O18 S2	461969	456003	439614	432728	686651	668427	383916	377464	467744	458280	643764	626002	562506	556263	526027	517102	404434	411908	486206	471892	686457	691976	335164	346474	590829	585058	557694	548409	381282	397437	1412562	1407128	1406678	1420229	1494098	1476904	1525793	1487419	1384667	1383607	1451703	1430033	1524434	1527357	1504887	1528160	1412317	1467078	1589113	1639082	1721472	1658248	1535402	1507395	1765492	1726917	1490617	1477785	342719	337677	371123	374982	141509	139767	493758	486938	457391	465720	470785	469682	59271	56597	753949	764287	880046	880886	541859	231624	127965	155330	54821	67589	105908	130042	433974	471375	36290	39204	87066	88435	93252	96399	349254	353121	123546	119356	195874	194980	853684	836343	269928	269922	572429	572296	563420	574786	987723	966253	596025	588896	661491	666961	773885	609238	1015780	1009208	1034103	1014027	928062	932478	937823	959732	1114670	1127740	960390	963201	997499	993322	958661	955141	987863	996621	935753	947831	955389	972757	985992	990979	963835	958914	959579	946259	972296	972664	1036410	1047210	1028340	1012485	1102519	1091600	991726	980164	1037377	1041712	832921	839513	1085346	1039396	797668	776112	937433	915849	1000566	1070611	1028577	1013745	1094552	1109807	1007166	976436	1322079	1297921	786080	782189	1081296	1105034	1115408	1123571	1259920	1228175	1104027	1133375	1342951	1327966	919376	908391	655455	676221	1199427	1183585	860915	840894	789766	807722	1235977	1221384	786098	798440	1236065	1239693	930253	932926	1449056	1399948	957769	988483	812598	797508	935242	926551
C18 H13 N6 O13 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7919	1	1	1	1	1	1	9159	1	9645	1	14030	13029	11718	12845	13095	12049	17976	15878	19880	16108	14730	15148	12961	14251	13652	12559	12779	14494	14119	12465	10212	14417	15681	15133	15861	13976	15257	15250	15143	14135	14226	13562	16965	15541	13308	13919	14188	12870	14560	12747	974036	14669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0081@1.1080002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1172196	2570764	177859	2033704	1241886	1728005	594009	366112	1	2161159	2241210	989213	1579103	2130005	2577734	2430695	4218857	2501099	1	2431153	51588	1	261265	1	719593	1008573	1138356	1075312	375458	981019	1204366	1	1021562	1	242040	83130	1	335647	467902	1434802	1496275	274675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.0689@1.5589988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1020721	1010078	486078	495899	1013351	1005397	439999	443422	324263	334137	266647	256633	1880376	1881744	1	1	416882	403832	566304	562322	413062	428347	1148666	1128075	1756480	1838329	134559	136806	1845829	1836393	1453844	1456313	1529019	1529814	1	306224	1032617	1029744	2198098	2188306	493885	484527	1056694	1018120	515263	507664	502811	504958	148667	144148	1110069	1170573	904603	871407	639679	572820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Promacyl	34176	39702	45848	43134	43816	49299	45732	50797	41915	43376	45179	42343	32430	41514	33385	40245	24352	42603	39453	39669	40170	45327	51373	52202	52062	53013	49332	52437	51082	54339	59097	53430	61685	60109	54329	56076	54726	56663	57952	53068	58855	58149	61412	55417	54211	52793	52151	60043	56966	57278	68185	70423	57731	60571	66438	63281	63116	56852	49061	49261	48126	44171	49063	50639	52450	48878	47789	51025	52005	47052	51857	51704	10138	10922	14065	11162	10111	10987	13767	16584	7966	10853	15363	16614	17558	15478	11953	12348	13496	13834	17792	12933	16044	16292	20485	17061	18765	16875	17565	18868	19838	17102	21521	18568	17589	19139	23532	20391	21737	23319	19957	23493	923255	42092	30359	29617	27858	30132	26830	30870	30301	30398	32114	30171	28979	29793	29266	27769	30732	33712	29814	32525	36044	32546	36025	32120	34329	32922	32540	32850	33708	34562	36253	35572	35420	33634	39290	39879	32873	35023	37742	39992	39028	37486	35516	35128	39119	39314	40215	36635	41301	43765	38514	42788	49683	42091	48074	46635	46367	47938	47158	49514	49477	48745	38359	41984	45793	51209	59089	47657	58342	57573	57580	54805	49109	52959	56420	55250	50561	49811	53685	52059	50670	54610	50919	49793	48705	55452	57523	51177	36244	53288	53159	52829	53684	63123	50523	43579	49807	50904
600.294@8.0704365	758062	790092	287474	289014	140755	139402	487802	462958	957459	921857	310302	321136	491707	505681	518089	555170	343151	390010	435681	447878	448912	464025	495688	540085	435009	449297	1859073	1867494	759037	822749	1524156	1502957	973096	979367	2229166	2252604	2199369	2105524	2346569	2388023	2137439	2118939	993714	1004433	2781850	2737250	1604252	1673652	567596	611007	347355	395468	2311934	2333208	323546	305801	815249	824212	232854	251085	314066	321250	257173	266588	422153	417972	192262	194656	36442	36986	503328	482352	524195	521643	188496	195651	601199	598874	553448	551409	124745	131865	186317	180430	83546	80423	356977	352787	495610	499461	225596	221221	168193	188661	499571	508754	458382	467469	669519	649081	1008293	986076	706994	695484	289130	299142	36249	33816	433015	434683	417813	406459	238773	360508	35016	31948	20691	20706	32845	34894	14705	14149	66475	66409	39024	39109	21177	21920	157645	155762	33840	36900	35824	34456	59971	57878	91420	89155	21662	20608	61887	62984	95536	96474	159532	161128	48400	50399	433956	434689	246339	238778	152770	152568	107550	114734	312829	311474	61795	64312	17988	18931	440186	436685	394745	394235	204778	206909	184457	183710	640552	639172	335505	340829	151091	143779	393313	402880	156729	150621	137046	140041	349840	344075	269110	276154	277259	269964	121851	124551	226468	220353	189597	192483	244923	244055	180629	183394	147371	147786	207829	221157	201683	193226	146360	149175	279793	260086	171284	165906
C29 H22 N2 O20	7846	7611	12493	11059	1	1	11865	11529	9012	9058	1	1	9345	9625	12912	12984	10598	9300	10404	10198	1	1	25027	25367	8907	10468	14111	13347	20134	20524	1	1	1	1	1	1	1	1	6588	6415	6354	6055	1	1	1	1	1	5594	1	1	1	1	9683	8464	1	1	15112	13147	99167	95623	189785	184316	512083	513040	122576	117613	173623	177260	107307	109334	712154	725145	29629	30273	98347	96879	88245	89909	192352	191976	488712	469030	201313	216010	125077	124077	813152	814806	641109	643454	603428	605667	53882	70844	699229	708917	298213	297630	112650	112889	407844	404591	210460	222899	207649	204776	86970	91477	51592	51036	85853	82255	246522	243792	1	1	22516	22098	1	1	18235	18387	1	1	19970	18220	28271	29465	25513	28140	1	1	20965	22217	1	1	1	1	20182	19542	30450	32129	15550	17515	1	1	23584	23214	1	1	35096	34252	1	1	1	1	1	1	16594	16674	29147	29880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H36 N12 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57321	54692	74640	69171	239951	235261	40616	40193	48080	46775	33815	32983	564997	565390	16466	14965	26281	26473	38456	37854	89187	86360	343427	357216	260711	268495	39970	43092	687104	677838	464438	477566	432664	429056	24677	32851	426846	429624	332807	335818	34656	34352	218607	226225	88323	87010	88962	90337	15281	14997	68993	68930	63380	57744	127190	108938	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
184.9702@0.8858181	413217	404735	394266	395067	320619	310435	406422	408065	395579	383025	294522	292807	348497	364418	364482	354543	388624	392542	374421	360483	274302	276575	442451	470054	354707	382368	369478	362239	412595	433496	168886	178164	211396	213611	187273	192559	152986	151884	198660	206673	252615	262876	172493	175453	224302	233657	217070	226634	105444	114122	161096	158072	257659	256326	52424	47436	374031	386632	745084	747905	808504	817605	1036033	1041814	715446	729760	695884	703358	519171	511301	911559	918868	608226	589275	625480	594856	696608	636688	718281	717238	896162	869005	850482	876944	476844	474031	794271	779979	835799	857720	843548	831119	691898	727779	1015954	1021258	1051850	1057617	782097	763959	1061224	1054557	946556	929373	899125	890381	493235	506182	870189	877131	880071	842517	1123964	1036399	362093	349233	326847	323419	385314	376957	388093	386315	226693	228114	400089	385144	392915	398109	434654	421929	373352	361427	439772	440147	414667	413633	392371	384755	403334	410321	418691	430966	386614	389384	328657	325840	345803	344256	253100	250259	406344	400214	308669	312894	450317	457381	245601	252276	524178	530785	457368	452257	290570	286649	135335	137644	130899	128902	176194	178562	112520	108323	308353	300208	153204	154419	256296	254080	138157	132471	187526	176988	104366	100886	324231	316034	424709	436170	158161	154301	305414	299919	373938	358035	145956	141999	332294	336944	140172	134259	306972	311226	171788	172262	298485	286555	359985	354291	324793	326624
97.976@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2080429	2079354	1947296	2014229	1929446	1949856	1811788	66148	1821534	1751265	1959563	2029130	2803756	2811411	2758966	2618097	1952432	2025891	1588225	1572787	2029099	1924292	2486114	2473668	2264120	2200672	1894814	1939301	2600075	2596830	2311474	2474970	2427045	2397448	1871413	2192287	2639354	2730355	2470531	2474764	2301445	2331498	2408681	2417843	2634140	2679777	2453527	2208894	1974655	1965556	2823082	2850189	2360860	2269267	2964312	2401759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.376@12.126608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39841	1	25809	35155	84758	24233	54408	51300	1	1	131648	39104	162837	32557	22889	1	19492	1	1	1	247089	132788	1685280	518181	195948	88243	79526	29984	37030	1	31252	30550	64607	32987	1	1	174072	38938	180869	33397	68514	17918	234926	119307	32542	21471	470714	68505	1	1	301567	57255	1	27163	181945	27045	77008	93432	103937	114203	112941	108454	100761	110477	36084	41544	112857	122114	159190	111585	198077	54465	113835	107237	297164	219841	109383	110643	68839	70037	151525	134056	157969	274874	154269	175565	47784	48245	134654	158166	35514	33297	120633	123838	84764	86730	330436	97266	42517	44529	91574	158573	200057	213798	63752	61999	138955	48195	43411	56654	59381	24070	30623	27990	22518	19231	199185	148538	42483	36024	14707	1	25564	28755	32116	28867	27377	1	117868	41401	23579	35168	47354	47604	39148	1	22629	23220	76151	1	33723	19088	195311	27994	1	1	41442	44551	90577	159351	101946	23687
248.0543@1.2574922	298252	314016	114203	121326	67878	74538	74581	78518	139927	150711	69432	69595	152404	162973	186611	183477	105500	123636	164836	148702	92710	95964	132629	133726	17517	25077	74619	94005	68130	57718	89123	74819	127438	127342	218016	215397	96740	100289	258177	260756	142332	145733	97608	101744	95812	93878	179734	184482	48616	50126	26110	31083	352555	348480	34397	34904	168195	164462	423666	418681	321961	334714	833809	819611	543342	528050	397902	390628	270174	280071	493805	497624	276395	261732	338357	334119	342727	338934	460098	482024	566851	559094	675444	666909	340832	356277	761464	779286	681360	720180	492290	492577	228364	237809	766199	791106	654699	662817	459818	470555	961029	970659	390949	392584	385024	396157	373653	372754	342168	357799	291195	286225	407267	443848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.0097@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20433	18238	20638	18546	36177	38400	12489	10202	12052	17648	34709	30419	73851	76253	14713	10862	15251	9931	9438	6738	13358	10553	55534	48457	43287	45999	33417	29819	51428	49327	42283	39766	57630	61253	16470	18049	55668	52010	54702	60067	12868	13093	38743	33079	14201	13603	22428	22475	23362	29605	21226	22211	14337	12700	19973	21118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyruvic acid	56258	1	50687	55005	41532	49002	56057	69145	49979	76232	35168	40075	50314	68801	49652	52551	44148	43597	47294	57348	31865	40899	89630	134511	54258	1	47873	1	64085	89344	440269	420928	505585	495902	42490	17207	134760	134446	24032	18730	157000	153346	309130	317077	636588	662560	62247	45898	253858	263225	11885	17759	44886	52775	77160	77685	199980	208854	446030	427635	475756	467144	1068513	1049993	350256	339562	336173	335638	381442	407546	2654192	2683628	322565	309973	356774	351256	350675	366825	437383	433692	837486	826407	804757	783264	297795	302915	2692688	2681384	931252	929178	1064893	1131391	256724	288256	1197871	1214807	926781	915592	424167	444029	898647	875520	525181	550561	757713	775155	275891	283162	574491	639290	358412	346472	464545	694892	180942	181459	432731	428550	271747	282725	454505	454372	137269	164519	293821	326924	752030	777432	843070	828317	553355	533172	316704	336100	339229	395208	113332	111181	504000	493531	670276	660016	539992	545702	136626	123978	592200	603985	676843	699557	728663	730614	502786	501375	562466	525102	484078	491072	937234	949608	726022	711145	893124	908290	1	1	1	1	1	654642	1	1	704871	728728	1	1	1	62017	1	1	152951	1	1	1	119079	123419	759020	762168	1	1	126894	137706	215988	210452	1	1	219648	230484	1	1	79758	86290	1	1	120382	118291	1	24769	598273	1
C5 H8 Cl N6	670361	684532	790877	882140	650890	634044	834222	772565	858539	852648	563155	582899	628515	623670	577550	550107	949822	851666	688032	633360	568546	587113	694416	709314	697623	740545	681069	688982	833984	814612	128829	127710	209590	202685	87710	87036	120559	119893	180017	175638	197187	204205	108501	110057	54479	53117	172119	177490	47425	46711	17984	18106	270451	272524	60146	61541	244378	254468	256037	248166	314284	299034	715528	694062	169876	165339	267709	257228	267837	262024	1079082	1079293	124354	117073	296042	281049	207861	219824	320190	304674	756490	704962	688081	665843	227196	227301	1009993	1029215	788275	813586	1033271	998676	222167	199872	1139105	1160078	1021419	1043433	311375	307912	854144	859005	390739	386451	592733	583296	223696	240922	335211	334291	343549	337186	826229	588931	438516	438054	447449	453223	528291	527534	671940	718435	300581	299512	518568	509432	513215	523405	539023	526353	554699	552648	595735	590424	477815	484531	596431	612892	596141	613709	679425	683417	526770	537710	475913	482713	447561	432336	345307	347300	639367	616378	388155	392901	458862	444049	326885	331636	870989	885572	585113	599174	358823	357819	47795	45063	49022	48463	34509	33078	26832	22902	227833	227477	96064	94690	101332	98008	39644	36804	110506	109118	17316	18113	201624	191677	341906	345717	68433	69799	194418	194162	308172	318523	38988	37816	209405	205390	45969	45282	193575	185739	35556	34676	158573	163523	219372	212357	125363	121397
Zingerone nullnullnull 8.922781	70091	70169	27962	62208	22635	21951	24818	27579	57459	54474	47927	86620	59671	71352	1	46263	1	64369	60724	53580	56247	59536	58301	25596	63918	35174	53882	47357	62307	66246	46582	55180	48735	39654	54091	58604	51707	50321	53479	19521	29295	51283	50191	62666	24630	21927	55052	41506	57237	21109	67603	44759	31432	60483	46856	31387	67144	49825	20140	27070	28359	31259	26127	27804	27691	35002	27487	30560	27721	25672	8502	36136	38464	41820	38359	35894	38499	40566	16771	27111	41551	41472	51892	31906	44962	37063	29389	49309	39333	28582	47171	43991	36980	50278	37574	38118	60188	55495	43583	45936	30754	44740	31514	56071	44651	43153	31735	38744	48808	26789	23352	35235	1227677	36370	47601	34558	38611	23204	35572	42353	42196	27113	25759	36777	30338	39637	51019	53431	28264	35993	38905	171537	28917	20197	42321	45298	58497	46428	32667	46423	25526	40428	36195	51035	44391	43407	30542	25183	42576	29475	20529	52538	39878	44541	26636	47890	36386	41063	38201	26057	38191	44369	40778	29969	54526	63985	76960	42634	78002	63102	57417	55543	78048	58096	52291	72837	60697	64082	34878	38597	33437	44223	38295	40526	40817	40999	49830	53564	47373	27464	56155	35046	64126	50452	52904	48885	31571	36283	45100	55334	51772	60397	56566	48176	49931	41899	46903	46528	67241	50285
132.0208@0.9328112	346463	353435	327617	343461	373786	370635	331876	332850	501477	486887	412768	406855	383385	388274	220213	220851	502086	497898	387704	391516	326682	326618	212200	218279	397137	394709	295561	283437	232858	252439	438265	427054	517413	541739	483944	473090	501539	484707	366381	361620	481427	480063	302267	309425	202107	196753	258636	262569	334696	336575	193815	204535	323721	327130	512481	501329	542975	544443	469630	465480	355367	348543	436545	436553	438075	437068	475131	466635	338583	346362	436359	435905	285782	274223	546275	537096	560370	545726	340394	345848	164315	146701	339692	352681	332314	319042	314551	320353	304833	317516	396673	395888	166230	201989	397366	403007	448942	464931	391573	398744	381427	389526	362457	374615	441718	425279	495233	492845	266191	272755	418908	421127	638516	578087	292692	293494	374789	375923	396506	397040	432549	431429	310442	304206	343192	342626	322690	322053	245278	238493	365766	367205	237843	242221	266778	272421	410919	421267	327200	333067	431041	439714	273493	276959	468537	467223	311498	317033	458452	457805	447272	443625	343370	349793	170328	171666	296643	298498	470607	467252	274745	274748	282507	277763	204203	204710	230728	229123	221793	220007	315454	301393	245236	247867	296925	303235	253360	251476	230220	234450	298454	297867	218154	226731	345464	337834	298201	309863	298992	293798	312235	301160	406941	415816	223430	234744	316142	321100	243650	234990	362406	344439	174051	177523	330930	322364	302649	280532	225014	219326
C38 H63 N11 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68419	70979	66554	66251	70866	71668	78684	71515	79842	81721	73433	73316	64036	59701	9492	7683	9045	9455	11321	12632	10006	11217	1	7409	16779	15165	13680	13952	13297	13349	16044	16974	21315	22008	52222	62798	44262	45960	50285	57721	55096	60351	55361	49524	61547	62529	57573	62180	65829	64519	56569	59270	67094	65064	879850	102510	31928	30377	31347	29874	24774	25993	33147	31674	32396	33555	26967	29574	31571	31765	29350	28778	27912	27240	27175	26312	24279	22987	27920	27463	26019	25367	29029	27017	27519	25504	30871	26913	32972	28295	32663	32422	29519	28883	27879	28447	24118	26918	31845	30249	26859	24909	26647	26217	27280	29721	24753	25140	25916	25041	22270	22554	23830	25196	1	1	23844	24457	24547	24701	33653	32331	31865	31152	34323	31861	30502	29232	20889	23020	26316	27551	24424	24424	21246	23864	29028	26632	23818	24157	26983	25811	17594	19799	21834	23081	23036	24550	21968	22411	12000	13003
Promacyl nullnullnull 9.664645	27153	30762	28375	30952	28948	30022	29200	29126	22312	25594	23011	27433	31306	30144	32968	31625	23318	28354	25919	30396	27536	25780	31241	23255	27672	28118	31052	24825	29898	24857	30786	24737	26757	24000	30317	23978	24268	26668	31726	26552	27383	26045	30826	27242	29835	29117	29989	25618	29753	31079	31598	30106	27308	31683	27926	26013	28116	29322	16370	16844	21879	15664	18050	18345	17707	21575	17647	19330	19098	18365	20696	19088	22941	24279	28413	26242	21075	22153	22526	33422	20919	22994	25235	23881	29021	19090	32043	17819	20596	27071	29969	21099	21966	24403	32889	21304	24350	22092	27776	31559	24616	24918	28276	30975	31973	22709	30203	26228	23589	25920	23805	24799	805786	30013	34632	36061	40319	31500	37041	36832	36866	35908	37199	34747	38077	39494	38708	39220	37686	40617	35857	30560	35924	42062	37419	36265	37697	35211	40156	38260	38794	38794	37017	38351	31986	39764	42302	40398	33586	34627	36997	41546	36803	46618	32938	30103	32857	33146	44864	40367	40817	40902	37573	29920	34327	39334	35291	34958	35412	37395	37593	37331	33238	30650	40577	31785	30553	35594	33998	29669	33178	28369	29436	33359	33368	31696	33677	41344	31930	30893	35278	34305	32712	29170	33100	34404	36105	34139	32024	34774	35393	33358	38728	32842	31789	33329	34829	39113	31041	32791
Undecanedioic acid	35334	42884	40587	35127	38391	38929	39562	36604	33276	41429	42911	32721	40333	38296	37607	37211	37112	35294	37272	35917	36040	39324	39112	39486	40072	44379	37361	41143	37745	42208	40885	36792	40601	39945	42150	41532	41585	39574	39106	40484	40029	38297	39044	38930	40263	41690	37072	37532	43937	41592	62734	44355	46327	49101	45196	44924	47606	45614	104011	107191	109723	103925	99372	102398	102853	101667	99554	107347	101357	102704	102838	103510	39738	33137	28112	24197	17771	16656	18000	17430	17527	16529	16005	14109	15822	12211	14154	17647	12061	13268	12273	11952	26729	26956	24495	23048	21630	22512	13886	20560	17594	19696	14958	16446	19697	19812	16327	13867	15069	16035	16893	17853	784095	17260	50417	52239	48874	53939	54207	61241	55438	55156	52243	51929	60966	58511	56082	58128	59019	59104	57489	63290	53117	60106	75716	64734	64198	63176	63924	68655	68910	66970	71302	65465	61690	64381	59603	66551	63936	69098	65774	64385	66547	66170	71041	68238	69630	65534	70067	71531	65581	71681	70415	72655	61268	67884	65864	62525	63366	56826	60674	64768	66243	61019	65787	68663	66430	62980	83434	82800	79946	80226	75992	81446	90120	78986	84754	81562	87750	81950	78706	83453	78985	83553	83461	81045	89107	82357	78303	87210	82890	86508	83230	79546	81570	94458	92388	87925	76283	75583
(±)-Ibuprofen	44288	54018	43384	52350	29925	27586	52755	34316	49016	45659	33615	44190	46503	40652	50768	38552	63712	39163	35776	46958	48809	50478	50110	31791	39387	49638	44683	49536	48657	37199	42832	34730	51591	51634	29649	47769	45270	46102	40613	47887	50115	40878	44031	33594	42864	37568	52103	56882	49116	50309	52925	47708	42939	53232	43763	42284	23188	46956	10000	9366	12681	16443	13263	11622	13701	10069	8843	8850	11542	10121	10396	11854	13939	12566	12983	10848	12792	12767	18154	18669	36061	19945	17870	14244	11854	10487	10834	10068	10470	12097	10295	10815	13947	16384	21809	15962	20826	16729	20404	19504	16289	14830	18227	18292	24826	16651	13360	15678	15004	16218	16070	11184	977076	18688	17915	17296	17825	18232	21274	20369	19405	17895	15732	18817	18687	17363	18405	18507	18811	20148	18208	16195	19648	19371	19951	14811	18327	20599	19727	19051	17726	19361	16045	20292	20160	19494	16343	19214	18592	15930	18661	17843	17038	16026	21798	17619	16111	14862	19791	21065	19504	18275	15544	15034	16597	13746	14382	14394	13846	17326	15247	16715	16679	13384	23205	22364	15304	15029	14417	12923	14723	13627	13084	13876	14195	12411	15336	13712	13602	13362	14230	12763	13370	13154	11956	13079	15469	16166	12507	12580	22695	13483	15822	12553	14633	13428	15813	18159	14624	12726
164.0662@1.0340002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11042	1	1	1	1	1	1	1	15012	11426	1	1	1	1	1	1	1	1	12409	13127	10392	9433	1	1	25982	12338	11695	20340	12137	13218	1	1	14978	15717	10177	10313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Ascorbic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30439	30131	44439	44652	110987	103460	862598	866281	22609	16271	55399	59253	59596	76807	15578	11592	79397	65571	867825	845972	758506	799474	126550	126456	589970	601187	734646	722040	86606	156539	133741	161982	64451	78728	19515	51314	98390	123161	473829	490953	435276	428497	538156	529971	216904	228303	192485	182354	29895	31374	40061	52038	28225	30047	69349	71004	176426	158277	425965	423286	264389	272528	448312	446505	134209	159882	329288	325103	745561	771872	842811	827323	547810	525120	315385	335092	335053	392935	132805	125769	498615	495389	676444	666782	538339	543705	131539	130451	587217	600140	670639	693514	721674	726108	496431	497346	560255	566455	481091	487519	929736	937351	723220	707960	890370	903461	1	1	18348	18867	643488	651963	346793	342794	701622	725618	25148	20088	55900	64865	1	8140	18476	11574	1	1	129535	120358	754516	757143	14498	17947	139999	136151	214497	200400	1	13156	216050	221995	1	1	82569	85252	488819	495372	120388	118075	27395	33489	595133	591682
C17 H28 O3 S	582153	982891	989388	1105173	1001686	837653	533831	478133	929799	483118	509764	925962	598261	1117340	539981	543515	661496	485634	503817	858607	922213	547234	566050	579432	495191	1028419	924288	811239	732594	629516	468493	937063	1008523	964116	1212048	968499	994108	676297	651359	1006252	899782	600955	966304	1176267	598501	538834	646242	619473	1009168	1002553	623070	723880	1072930	1056418	654385	988933	613860	1322705	95491	111983	112157	114125	102994	101029	103797	89300	103405	107686	98091	112166	108353	111550	165877	147866	58474	66661	48037	47855	61235	54679	74891	55614	107754	94187	57466	67024	24969	32401	43778	38484	50949	36503	49140	51726	68623	58889	53429	80598	79954	67155	48657	57838	54920	58891	54494	59165	76956	65225	70190	84359	44140	58824	1409243	80466	91591	101281	123763	114501	95487	147493	125172	80971	62806	93894	96787	93348	100907	97281	108451	119830	90592	87504	56063	100594	126309	75074	98743	102414	104133	108708	88167	99963	92217	111944	121138	72774	138198	140758	104917	95694	93977	98867	119278	69095	132920	120220	203207	204552	65865	95190	123915	106841	79643	130698	270054	238052	211522	259326	269740	504092	540526	409055	251045	396124	248767	240009	411611	483087	377802	250065	379831	475272	570233	467345	395781	269051	275379	270015	455124	239637	241753	359820	247881	342886	235054	363308	392325	371396	220368	223542	412264	262623	475044	275676	382566	450217	459367	326578	398980	388130
Warburganal	18093	16984	22920	20499	17862	15342	18914	14669	14529	23608	17496	17336	16013	13616	24855	11699	20049	16267	14521	21976	27779	19798	16096	24822	33705	19489	33235	37144	18690	16608	29652	35947	42470	49289	44707	39314	49439	23701	70266	31121	23390	26121	20961	17177	24065	30266	31968	61333	26197	31939	20661	23870	27682	34123	22693	20825	26156	48893	14827	15098	14285	14693	21593	15244	14706	13563	11162	11975	13196	13165	14700	13119	8464	11079	15603	11779	12627	14544	13549	13765	14687	16542	19029	17470	14918	16174	14112	11330	13101	16104	18249	15118	15483	21657	15070	22751	14382	27974	19828	18110	26883	17818	20227	25955	20914	19991	16803	19262	19578	21138	25085	18194	721043	16061	25499	18241	19214	17678	24537	23638	18826	24235	19655	20711	22849	24528	22809	21078	18801	29471	20775	20089	20037	26822	24686	20967	20360	24812	19437	20534	21858	23558	23461	21296	18066	25961	19853	20186	21317	25773	16885	23033	22107	24577	19586	19565	18345	17270	20075	22294	20415	21785	21648	17631	32447	30676	32033	32884	35980	46761	32162	32142	33525	30921	32141	32599	37087	33284	36144	30482	31184	35106	30826	28764	32373	28941	29654	24034	25867	28645	29689	28702	24402	25373	29639	25927	27853	25456	24331	29141	26899	24968	28246	27486	23781	30035	27955	28807	26714	36186
C35 H60 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9905	8786	7591	7644	1	1	1	9843	1	1	8743	8455	8344	1	6886	6711	7093	7263	1	1	7185	1	1	8566	8211	9055	11656	13323	10891	11250	12835	11330	7938	7821	604848	660506	600190	602567	586395	601844	661812	617623	661342	649822	585285	569198	527574	518313	631294	592474	599019	643626	594199	606524	675682	657212	464501	594057	602034	559278	622319	584352	543282	531520	587085	608785	641832	654280	523913	683022	597268	655622	687583	771197	769375	800085	698907	697108	831847	764316	734368	800166	830871	814389	749004	730014	804702	765617	2553772	839333	155749	159252	171073	166789	139738	154439	169637	171417	176707	176653	150590	150436	173303	179753	166411	169145	165524	165034	151115	148171	134951	135774	152250	150952	158138	150468	152767	149079	152436	147261	160460	160050	167290	161578	177002	176134	162862	158018	158322	159521	142796	147579	172136	178903	146448	132969	150992	151972	149653	156086	127669	126354	116820	128950	120065	117582	118551	114517	67956	68726	118841	114039	129236	122788	123006	115758	102605	102038	96026	97286	95519	92585	74196	75293	94084	95091	91618	86996	82984	88826	97725	81289	86393	86049	98960	89378	66805	77534	85792	82582	89705	86374	91837	89246	60149	56175
Glutathione, oxidized	478313	482501	709701	726681	450730	449187	879087	870184	850849	816172	459865	451047	698931	701002	724927	726348	527640	520708	674830	687158	182421	179588	1104780	1128924	360809	380284	380670	378292	586810	603501	94408	95096	152350	150604	200939	192972	136573	132434	231853	244479	177977	174345	144770	140429	110865	109110	177961	176984	35925	36639	36123	41757	305452	309758	51306	47070	229406	234324	155740	161283	171681	170140	564385	547215	107471	111907	82592	83028	115372	116966	661489	669508	59462	57157	113455	108813	112355	111895	163066	164463	518609	497684	421151	432322	128517	133083	794114	800375	650355	657049	620609	622988	69379	76401	689505	679647	544200	540264	168568	164472	533268	514223	148074	149250	254900	256704	102819	101472	131528	133962	147339	138383	185360	184065	259983	254444	303287	297760	274996	279908	359346	353890	158875	154189	257863	249707	371905	372517	334431	332458	326431	331053	350339	342289	302026	294487	263078	263854	275976	288746	334923	336123	250882	243390	234886	228836	268222	270720	239595	241194	326703	321272	263178	275947	354230	364415	237965	233967	477371	482671	246182	253152	253214	248776	76363	77179	101108	100431	80397	80199	30573	27826	87167	89066	122466	124171	137951	135505	90134	92034	157878	151150	32539	34567	131076	132946	106180	103106	153597	149902	130612	134163	80082	85591	86349	86194	103917	104563	89321	93559	128780	123872	51455	53042	110920	113512	164720	170769	108190	108220
3-hydroxy-cis,cis-muconic acid	3472180	3499739	3379270	3551343	3453708	3404841	3461834	3493458	4098258	3911856	3648689	3588331	3628475	3655104	2812980	2945326	4049177	4022314	3673073	3634098	3198748	3253164	2836819	2917144	3646676	3913107	3314421	3232651	2995568	2999466	4144967	4213877	4906367	4940529	4316585	4303879	4084835	4137884	4935192	4944536	4450055	4359073	4592240	4691178	4295867	4332460	5312388	5363376	3362834	3409506	2713154	2761673	5238882	5135465	3379222	3363072	4794775	4764206	1734831	1724017	1521875	1509957	1940127	1902432	1305324	1302195	1704512	1699499	1569261	1560232	1895081	1897736	1434322	1348574	1881026	1845334	2500239	2430720	1146171	1246801	322744	1423998	1217971	1231210	888026	926326	1810398	1820172	417279	457759	1779675	1788733	1029486	1244749	2161548	2120506	1012483	1133415	2478876	2465472	1294549	1293482	2050028	2095442	2270213	2235213	1875360	1877353	1667988	1685400	1879322	1837288	2525056	2328651	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.4258@11.652097	101373	63818	18905	27396	17387	10661	20510	13310	34245	19041	22020	20472	98460	59237	96455	92946	429926	58554	98646	39554	29477	33075	21126	21836	14516	1	13518	1	17748	15412	31886	22562	43351	41619	14168	15956	23145	24720	67160	38220	35563	33051	27999	27108	41581	52924	92464	44311	1	1	1	1	92499	58203	1	1	44352	46563	36118	31605	47192	42015	34936	13417	34432	31079	11984	1	41412	30565	76779	37040	28157	25075	39701	33615	30205	30305	156915	142938	777041	302318	110314	62743	65258	62650	19979	15729	32441	35756	51763	36012	21680	18827	84030	35670	112335	60719	79155	59761	128015	88188	47705	45591	259980	68551	24666	21953	127178	80277	44908	46562	109636	42931	23556	27098	44708	43475	44193	38753	28050	35473	1	1	32117	43081	35691	40478	66358	40500	33868	26819	74700	82431	33742	33214	30303	23493	27719	51623	30906	64309	31003	36188	18524	19671	40034	46234	16065	1	37140	43566	20661	24577	57265	53788	18945	16993	44727	39765	64986	32253	30773	35433	21797	23131	24474	18690	17563	13777	1	1	28475	18075	75967	42018	35130	31835	1	1	1	1	13028	1	29474	18201	25451	17952	24798	22451	1	10783	1	1	18230	17902	28245	14593	1	1	71488	13858	1	1	18561	11866	12940	31522	19022	13607
537.8916@0.83726764	542989	533226	540721	521851	510515	518416	549852	544933	545232	529088	539382	522823	527614	510594	521532	544840	503859	527715	541689	528893	500247	492970	532315	544976	567565	596606	573411	570704	561444	583189	235862	238348	248087	243346	221563	211981	234159	222998	301782	296455	254185	259781	207273	202904	230792	230833	280055	288202	151404	157087	291231	266044	344569	337729	151245	148822	323807	316466	287625	287518	311352	318509	279651	282522	293663	289572	303399	303978	277260	278735	174728	175142	580119	553212	464871	442670	331029	139489	108888	144424	121170	146637	190182	227725	255488	280867	155625	154026	249488	261283	267015	266898	553603	558220	353707	341727	412658	421088	527612	534807	488209	482670	538962	538650	537870	533510	401594	414655	516476	517504	491456	481545	790376	567401	204373	194650	182902	177011	253768	267788	203557	204824	147695	146893	214452	212949	215157	209714	230934	225332	201110	198736	223287	231297	215559	216778	205239	211622	218524	213686	238118	233670	208314	206479	171170	172196	196838	198277	156246	160502	212906	213018	178440	172023	304015	305954	144703	142808	334044	334144	233651	214068	150901	163048	310654	304503	279804	279398	305298	309389	180901	175673	406790	395321	296411	304822	267342	272728	317942	303813	368982	364722	249227	248909	464949	457158	488972	481919	347915	339049	475746	472753	461148	459158	292735	295890	453485	448075	301194	297102	442470	446515	201562	195014	424620	433997	510890	512674	435433	446384
<none> nullnullnull 0.90299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	159017	156005	194951	192880	131187	136845	194603	190187	168172	168324	182116	184698	90221	97532	256302	257949	180499	180475	165450	144897	199441	214912	164316	183469	158758	165231	204806	208761	90121	91963	123945	127471	124732	121061	439627	342344	164428	157786	169484	172772	253015	262397	213868	203259	257318	259542	226171	241905	200966	203770	282173	275009	243971	241029	88296	159403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Phenylalanine	218398	240513	160144	165151	95954	87529	119540	130474	145904	125598	85687	95614	99645	80820	79613	82448	163594	147524	89612	78957	83954	130558	136167	173902	196456	229255	243111	267136	242949	350737	81158	73113	90740	98480	117213	130623	69733	64472	96151	91889	87211	85047	67854	70531	65819	62510	102374	116514	43892	55433	30786	35978	196344	195833	35802	37511	131708	129391	70464	61519	42762	44530	213389	212794	48898	46643	31984	38391	43009	51811	195672	197977	102451	70761	102513	111762	88475	92941	232114	267376	333287	349319	267335	226975	81947	73628	495265	535020	454993	455509	326909	336391	117625	125837	707855	705337	481856	494555	230585	226310	790204	747048	225725	217478	291386	301378	105608	100923	175743	181346	218953	219821	349733	310502	71457	70246	81459	76413	69787	74061	189577	184840	67554	69431	72520	71282	120104	118162	74707	73484	87709	86002	99781	95323	107352	103675	107770	105371	145102	142061	77642	76670	155676	154892	84455	81542	101342	99320	117264	122338	73855	67873	111775	105762	87285	87755	79509	78182	87776	91668	73722	64245	128577	135937	337383	326854	367684	361693	278833	288393	240185	238868	911545	935418	280915	287518	418492	443926	363655	360780	364626	357069	189646	188009	797145	771854	1199821	1189818	322012	320656	1141166	1151965	1222660	1173533	233743	228057	924547	932224	408330	424253	588890	581599	221423	220607	706543	701394	849313	851768	787341	785546
240.0666@8.904803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28250	31926	43855	44918	19542	19211	26727	27530	13350	13908	42795	50256	15778	16795	26268	26170	29291	26982	24650	24641	26435	27650	27413	28391	24704	22470	18597	19135	13933	15991	12658	16375	18080	17510	9612	16069	15819	18837	22277	22939	23303	25329	28919	25377	20416	20403	18972	19330	17980	21255	17355	18514	17620	20037	766902	21423	30244	35077	26524	27562	30795	36530	21744	23162	30014	36384	41248	42760	28075	30409	31551	33251	38170	39281	30848	33470	33172	38429	36457	43834	30393	32936	36902	43178	36143	35173	41083	39181	34058	37443	34213	34564	36194	48457	29132	31666	32737	38431	29391	38513	32651	37116	33118	39811	31389	32270	16898	18509	17690	17251	14702	13526	16170	18806	21195	20773	20952	24317	19570	24407	18974	20414	18511	23063	17271	15289	19353	18594	17482	21983	16285	18756	16183	19079	16727	21702	26495	24424	39701	40321	33186	31323	37944	35778	23737	27776	34940	38179	29368	34081	29122	32460
3-Carboxy-cis,cis-muconate nullnullnull 1.5364658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	255120	271299	198176	199459	653615	755804	439966	423573	222803	217461	126605	134185	489561	516180	134333	114467	212127	215163	281232	269972	364076	383333	583386	577913	746718	766157	205676	203452	1015820	985314	815247	856089	516978	519381	1	131921	929375	943971	811044	818425	410008	394628	1081805	1085797	284540	275154	301415	260186	212138	207637	259825	285193	185864	180394	252106	281200	48493	41300	74385	75569	86167	75311	93805	86188	29994	49528	51994	47390	73736	69880	75168	75425	61197	70168	67261	68672	31998	40611	30579	28899	38651	48100	53029	47341	33702	59413	18449	22328	57519	66259	90877	92837	80123	83177	88520	93458	97893	83456	56061	52114	109761	111142	67220	70978	107022	105316	218901	212409	164103	174217	263277	284385	163701	159748	491527	416681	144382	149054	340698	367263	138547	132411	216684	229780	172890	185092	505904	547555	395442	417048	235368	235782	768109	775565	440465	449167	222837	214539	369264	369888	150831	153945	443830	444772	243073	237527	402080	410377	559194	554553	522922	502731
Creatinine	239129	248083	261730	272967	173653	170331	251917	273256	228791	217520	165681	158334	181724	181228	205140	197925	240941	249837	226190	218361	148571	157627	301223	314265	217449	247928	240372	212838	265471	260197	1	14411	10682	10736	10699	1	19040	1	1	1	1	10400	1	10788	10500	12901	1	1	1	1	1	1	15876	13557	1	1	15433	12094	246282	282647	302869	308235	432982	412831	214200	235783	229635	220191	202977	206637	631500	572426	292482	230285	269128	253584	283542	296576	359420	422367	669635	641582	503167	536463	258704	248660	588941	616702	657641	644004	653372	613262	431981	448504	895238	875718	729481	778530	355378	377476	653717	615204	474869	480373	482215	455454	340234	338753	519031	509410	458606	461214	573705	599537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.9034@0.8375437	554036	557042	566277	562762	502520	502394	568390	572615	560796	553039	501652	505591	509227	514699	542435	534358	530925	538638	528001	513039	460107	461420	569320	590206	542402	563371	540572	537539	566441	586614	208715	207822	212759	211349	198056	185972	192414	188636	257662	259499	219391	218936	178723	184487	209720	209135	239129	245076	135791	149340	235616	234240	290586	287624	133964	147858	268194	267320	291010	292297	296008	304939	319882	320203	284447	263358	281264	283614	254593	252360	225407	227686	528343	514735	407507	396757	322581	135243	122597	148563	157380	186661	232467	263813	236657	258080	226823	228701	303300	314687	338835	340155	551262	595980	432036	420503	477382	479785	471211	476714	541647	535388	509980	522782	513172	508372	362961	352637	495810	496811	471641	468420	740377	558671	167214	168685	161259	158470	227546	224920	177644	186462	128167	129633	187198	191335	174600	181668	201953	199216	178431	173941	203441	196137	184701	181199	175398	174037	186498	183876	199410	198380	170905	176438	140330	143179	168555	160085	129892	127453	178963	176680	144252	147567	262598	266637	118501	121954	293336	290955	199287	185968	132158	136286	262820	269463	236509	238383	263327	258873	148432	149432	342413	353930	253536	248684	219844	218367	257235	249673	307867	302512	204340	202582	399853	390154	435021	440000	284642	278583	408330	413389	399352	403391	236722	236190	391896	407332	246827	244231	389545	383121	161961	166066	369335	377734	447616	437823	370388	372602
386.1854@9.963995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77047	81298	101289	99793	60228	56692	65690	63270	63981	60452	58958	55469	55009	48961	59977	62228	78886	89164	79952	82075	143054	132681	97197	96441	104008	97343	92667	90707	81432	73745	82797	80900	85630	88837	42402	41770	99177	90799	98520	98075	115839	109878	57796	58527	61749	58486	61537	60185	46234	49789	59183	59681	56652	61685	654155	70370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(R)-Malate	3386433	3490648	3896370	3977151	1390116	1361118	4203053	4169524	3791610	3954635	1573957	1596463	2233525	2249479	2243675	2193666	5888779	5681227	2952408	2816995	1418394	1414459	5482532	5546859	2102446	2178890	2605820	2600114	7066377	7138462	249423	238648	226149	221267	108643	92942	140641	142633	187101	184977	215663	219845	74255	71808	135299	140807	225332	204901	44858	44958	43862	47187	350352	354709	29595	32636	252342	273172	428570	425409	468674	460084	989044	969974	349964	340310	324588	321577	381838	403879	2452468	2466287	343296	330702	339922	332361	359200	358461	411073	404207	790180	729499	791816	776362	294379	302674	2641023	2625431	910018	902120	995798	1070604	289616	376914	1135389	1146382	888423	828350	423432	441414	818790	852472	523794	513022	752613	732106	277645	280982	704125	697735	372854	353649	474387	691940	134978	137326	78577	74752	32719	155739	54553	47702	141054	143331	38117	40852	68117	71180	40242	39819	146146	146548	27023	137880	32986	152856	167735	41945	32283	26842	65813	67449	36269	39162	148655	157273	72002	69165	72413	72598	52146	175779	66343	69110	30197	32210	35092	38981	77131	76088	27141	25280	60183	58125	166371	167339	224630	230450	225468	227720	162109	158514	375939	387646	301159	299665	334758	340807	182342	168346	341240	329964	122918	125559	522651	519234	516610	531878	251753	253915	523865	519767	446936	436745	166536	166022	422892	418188	152010	155171	451937	430598	188689	190912	376757	385046	791056	780520	419468	422609
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	352347	345457	549388	542520	1104462	689410	308983	286045	431976	347800	348683	293810	795110	522807	233326	236725	336087	305908	291445	278013	704503	655677	9378865	2894192	1162738	778116	469503	433242	489934	462569	850787	877444	1301560	946244	273777	262507	1295495	694390	1342035	900086	588772	525962	1347956	999015	544322	510211	1788004	555424	287689	266941	798125	588472	548034	542933	735884	579695	63016	63253	80060	72384	111038	104942	84579	79717	44367	40848	46371	44690	59455	53841	54339	53399	39062	38232	79513	75356	66233	62032	87225	84493	32331	31596	27584	28193	31229	32059	78188	74657	40097	39360	21997	20860	93033	93559	23897	24403	449384	418464	44019	42160	87655	84106	43620	43160	84683	87295	821765	838293	697849	595179	37433	29235	13140	12268	695041	509076	2238377	1641423	283438	233721	503534	459937	1075596	839763	482243	468451	876188	680339	263515	211289	569372	530250	644791	593240	445695	387024	507433	474585	748561	498094	626412	605531	2509851	561796	11211	8003	1119022	795915	2350676	3707125	730985	593758
Nabam	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	802705	818098	657677	655432	791030	791185	741149	719952	799813	819391	671417	656507	733415	734143	908375	848718	993888	994393	892431	674821	420460	473167	267058	263750	628511	675110	657286	697306	713769	740267	621806	744186	847349	853014	684563	887034	1030284	1014371	1002554	1024930	1070356	1075393	1109902	1090011	1018897	1053662	1117770	1107569	1024159	1042566	958021	966357	1091164	1087926	1306757	1250866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
159.0204@0.9370002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3507810	3511425	3054314	3075313	3627322	3606079	3492666	3464462	3590876	3555854	3006011	2980464	3616020	3640676	2711410	2509988	3718630	3570235	3601402	3648194	3040973	3197818	1815636	1703196	3013622	3142852	2936417	2920137	2850725	2834477	2797222	2818454	3211138	3297722	2057037	2280778	3658472	3589285	3884461	3996066	3601294	3645381	3619961	3593251	3356583	3469081	3745659	3723739	3830108	3786206	2728619	2761742	3606846	3522226	4622347	4363675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Fexofenadine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55627	55133	71927	70904	103546	64630	67868	59901	46735	35173	24714	22607	80062	47264	61351	56459	49220	44841	62419	60300	167742	149916	754235	247310	119620	78953	38133	35045	37120	33117	63922	66052	85900	69712	47466	47347	109649	54319	139611	88649	124710	111348	148022	108422	95031	90169	330422	105707	19989	18014	112170	83542	93767	88645	116428	79733	10701	9293	16621	17960	37466	40129	13919	12780	9810	8303	1	1	15625	15422	12412	11832	8411	7534	13601	12478	9497	8446	13379	12351	1	1	1	1	1	1	11627	10734	1	9796	1	1	16861	19022	1	1	176517	167991	10496	8628	45832	48657	8698	1	18840	15891	306197	329632	367690	305772	113230	87644	51573	41580	338011	243105	1062345	822738	422152	364839	227437	208632	514470	398695	227025	223459	412834	322788	172440	127187	289639	266454	304809	277129	227999	189933	241380	237647	415322	264721	272416	260219	1297792	286636	42010	37929	548301	376170	1070390	1646709	407349	328062
C4 H2 O4 nullnullnull 0.834734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7675151	6758772	6944332	5778021	5004917	5093828	9008608	3335139	1.21E+07	7381809	7201045	7013116	5762639	5704687	6692422	6480304	7722336	7455079	7494222	3090091	5758060	6196146	8110275	4070724	5701152	4582646	6693089	6983339	5412807	5159568	5297259	4710902	4768449	5626096	7086008	6586040	5474771	6565423	5470447	7235883	9839868	8312026	6014206	6069324	8178351	6768516	8216203	8102609	8517835	8317016	6613199	6678384	8480026	6721017	8966583	8083865	2399955	1	7561019	7779201	3247200	3408169	1	3397418	2100606	3294765	1	1	1	3428435	3320024	1	3317467	3321359	1	1	8166552	3419886	3479915	3309492	1	8741341	1	1	1	3353322	1	3497520	1	1	1	3383435	1	1	1	3528294	3395191	1	8540320	3434506	1	1	1.04E+07	1.04E+07	8268844	3401308	8512149	7919777	1	3177409	8092713	1	3112264	3041373	1	1	3110842	3101036	1	1	3086910	3064433	1900580	1	9160767	9205014	1	1	1	1	8850987	8737389	1	1	1	1	2990327	8080284	1	1	8897258	1	7720633	1	9652836	3071577	1	1	1	1	1	1
3-Fluoro-cis,cis-muconate nullnullnull 0.9379998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3290251	3334483	3004413	3012401	3441954	3443187	3291736	3268766	3404961	3412721	2929421	2913840	3463433	3431253	2639564	2454056	3407056	3521064	3348483	3455832	3011326	3188046	1838846	1737062	2880783	2954909	2903631	2879837	2760768	2765847	2700001	2746997	3124940	3198778	2135949	2307143	3469121	3341219	3557092	3595969	3438140	3394542	3315277	3250205	3194935	3270007	3410627	3428687	3539772	3424453	2489471	2547226	3255874	3215369	4064544	3955968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 N2 O9 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7090	10108	1	1	8548	1	1	9717	1	1	1	12257	14031	14261	15499	14581	15213	18355	20089	16227	15705	14678	20173	15284	15649	14569	11517	12265	16754	17109	15200	16811	15447	16033	18062	18351	14747	21975	16995	18978	18379	15519	17724	15175	16186	17026	14201	18561	15786	18144	19775	679166	20305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9672	1	8789	9625	1	9590	1	9136	9008	10115	9046	1	1	1	9505	8767	8774	8842	1	1	1	7700	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.8793@0.83726764	469466	464425	462662	454891	475060	479413	455140	466519	473396	475089	479700	466984	461235	459228	485266	478613	442918	451638	459942	460152	460178	456188	448698	464988	499625	524751	501642	497843	470926	487905	225418	228683	237925	234639	209463	202419	213876	217217	285448	286253	239637	247324	194065	197943	218552	221902	273220	269960	143392	143172	274317	264316	322386	316015	135997	135890	296953	306721	243466	241720	271430	272585	215244	221065	264984	256422	262070	266542	244493	237343	125857	120383	521297	531792	436512	422514	302436	110448	94019	111171	91760	109530	155891	181965	227073	243290	102386	107255	178856	185139	199643	200523	458425	474383	264205	267114	330164	335639	483760	492193	411361	409620	484655	488320	471144	486445	387300	387259	475070	474040	458233	460681	702611	515918	198545	200569	188259	180117	263731	260190	209149	205587	150797	152895	212297	209575	213116	208756	229325	221736	198712	200191	226910	222349	210429	212751	201775	200212	219797	208253	226556	229569	200256	204344	173611	170613	198475	190928	158912	156440	211860	212706	173050	170595	289739	297529	144104	146468	311525	314750	227137	216070	156495	162042	308193	315238	283042	275521	312720	312751	188567	186030	381588	386042	308442	304704	269245	273770	313178	303890	359462	357648	254469	250647	441424	441659	445206	452911	338907	327849	446493	447671	425947	442547	292242	281439	430495	435282	299933	303215	432655	426787	202167	201059	413174	419124	476352	479703	409031	418274
C16 H2 O5 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8334	1	1	1	1	7855	8268	1	12208	1	1	1	6999	1	12220	12307	13334	15119	12905	13937	17465	16051	15122	16639	18528	16857	17316	13672	17682	15621	15113	18531	13245	16242	14780	15773	22271	16732	15207	14467	19680	16592	15761	15636	17199	17711	16441	16375	16248	15983	16093	15872	15647	17107	683008	19995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10737	1	11150	1	9127	10666	9549	10330	9535	10537	10097	11128	10346	1	9517	10433	11053	10011	8351	1	8732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9253	1	1	1	1	1
Dihydrolevobunolol	648326	628182	620828	620865	550136	533322	587333	533284	584027	597158	554653	560484	603010	573843	603758	583965	621946	598681	598975	540449	571433	576433	614635	662044	649713	640488	641917	607252	648765	656002	639286	634744	608692	619902	565346	603005	570730	595614	581998	588668	560314	556146	571052	586281	672930	643569	589365	602810	587726	595434	599840	585815	632852	632438	606504	565895	644821	656217	251807	254571	244062	267155	256486	240197	254929	267924	228373	231218	238394	231037	287848	265456	423030	400750	387862	376454	383957	380520	478237	453038	505913	490746	476705	458339	388031	394222	403678	389532	370187	392358	384254	383969	296506	405583	458984	421787	487108	437827	408261	420115	461721	444438	404090	407018	454830	439840	339518	346355	421820	413243	398515	393663	1.87E+07	456512	19170	20231	19364	22407	23380	23676	21547	18578	23625	19903	23318	24987	22859	15386	18178	21967	19164	21628	21327	24211	21079	22232	25872	23946	24154	20866	18186	19334	18135	20317	21368	21115	18635	19767	19733	19073	20570	20361	20841	21853	24214	24227	17513	21385	23467	21191	12851	26464	19922	23126	21105	23209	20835	17546	23711	21249	24614	23984	22710	24428	10080	21612	23461	20125	10305	24179	8782	20084	9399	9013	11338	25334	10669	14166	11351	24085	12823	12591	24812	10263	20901	12735	10250	8953	20523	10981	21338	13136	9642	9588	12164	23162	28170	10049	14540	27071
193.0019@0.8783059	185386	188091	169670	186154	125167	122269	179131	194252	206519	188615	159241	139950	165288	179049	142516	147806	248191	208628	159627	178219	129958	135227	196675	212059	175658	179249	145515	158014	191020	211242	106125	108645	122977	127162	111284	114375	96617	97870	112058	100803	133936	149352	45250	97397	106815	100470	108357	108911	26096	27325	45729	40645	131631	123434	52269	51202	207267	202804	451236	443234	414762	380213	679003	691730	421019	428731	365424	373673	246391	250408	717160	834825	302900	290528	252072	243718	369077	537836	519671	516579	722776	689955	538474	487273	204354	200184	633322	568228	636527	516520	521354	518987	383074	350966	560535	714331	520730	618424	298362	291564	468214	468311	329776	367679	353997	334617	159550	160766	298715	267235	319098	314681	381753	398957	164680	166500	152726	150698	255425	259286	191609	161020	96239	103000	229319	181062	182805	155210	181219	187522	175854	178379	160628	193918	182425	187607	194055	190471	177871	187211	206803	214421	146644	166764	170567	138855	156634	160056	150419	148807	200557	203294	142276	147114	271327	273274	104296	112823	378873	315321	199141	200395	123574	127422	66685	66808	60565	52641	79303	80988	52635	51986	131760	131844	69118	71256	77173	77497	58164	67843	69973	76567	30171	54951	138474	124813	217703	200652	68888	74809	139858	122688	149213	182422	53957	61104	176747	166154	57858	65427	137959	151577	46722	38912	123939	132012	149750	155775	157171	148356
> limit	570718	492167	572257	314753	570755	223355	659616	466432	844026	421374	525191	382976	614162	528051	415671	844578	444256	457739	459836	336723	505687	719744	517981	496033	540958	482566	506947	527052	752098	993273	466095	466589	183882	478462	214615	530513	619224	262044	511717	475978	247383	250046	565436	478384	508787	586694	558046	455827	421343	483305	251283	333465	222067	205827	203896	213953	158589	194270	305817	261285	379091	561925	313547	244736	314865	338954	243027	328405	350914	259424	367089	298744	342591	452792	320780	534995	356143	256445	416477	323996	409634	346925	358647	142322	331795	379526	179008	503876	340621	452443	383128	402245	366321	320435	300274	262638	1416286	304088	342494	318958	327445	318303	345593	301242	324815	298479	360605	266024	284618	299187	343364	699604	554803	299005	65876	34818	97141	69151	87362	60761	63217	53055	66489	34002	13915	65403	95313	45000	57021	54350	67682	90194	1	1	1	1	1	83185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8113	11507	1	1	1	1	73747	1	25528	28785	26295	16763	85132	9034	11535	1	68482	93359	63569	74165	95099	41202	92112	68491	5113	10584	8562	7480	12289	68941	65416	73577	75167	68159	62914	52057	21078	5499	80036	99574	33811	27532	75873	63537	32325	65718	60743	90741	77461	77747	13030	74619
Trichodermin	25042	34801	40758	28863	21803	41320	41817	33054	21711	36522	40874	27095	39509	18670	19165	24377	21142	29989	43952	35708	33335	45442	30554	35019	40246	43324	52788	31771	34238	30271	27079	32838	25115	21471	27685	35407	25073	26845	29629	38455	30560	24517	26751	28870	27393	27028	25932	31829	31178	30210	23896	21835	36486	27818	26253	22895	21170	24358	10207	11021	11590	13119	12730	14604	10297	10710	7346	9573	10730	10995	17082	11114	12541	14138	16531	14300	17073	19261	23543	25019	20671	34958	31556	29299	26448	24835	29270	27420	27845	30027	30895	28823	16689	21320	26027	29111	29917	27904	23708	27640	26653	30383	22856	26558	28812	26537	22748	22703	28407	28591	25627	25801	634830	29531	21186	25176	16872	18706	20702	15129	17444	22875	14010	21649	23759	20211	18928	17256	22387	19322	21728	23298	19581	21608	20143	27007	18117	22369	27869	18206	20096	19231	24452	16085	15900	24099	15966	11365	16794	15521	20432	18118	16094	20375	21584	15407	18475	17144	23329	15255	19395	21264	16017	19744	25681	20086	17267	23874	21450	16454	12911	15525	20555	24607	36557	32377	22808	25104	16626	18954	15452	14046	13260	15067	16300	14903	15394	16861	15877	14083	10529	14186	14621	16279	12433	14297	13054	9091	11652	15820	20727	10157	8308	11190	10462	11572	11735	13585	11954	12566
C14 H21 O3	62818	67037	59080	56060	59956	54142	54491	54051	59128	60104	54925	62023	71241	65502	66023	66917	61713	74003	72987	62290	56076	61456	55636	49404	52453	52436	52497	50839	55713	51617	54905	55657	58440	57386	50280	46823	49153	49013	50765	55520	50953	48982	48445	45383	48459	50778	46254	41987	45364	42140	34980	29901	43748	34672	34556	34391	33137	41107	19596	24200	21754	23309	23716	21156	26963	23329	18356	20411	21116	22408	27067	24194	9869	10576	15870	18435	22160	24519	34555	38074	53995	50768	48903	42055	41313	45099	44133	43659	49218	50347	55507	52092	41573	58303	66743	61694	71742	62426	60622	60443	70863	69752	66560	66824	75709	67477	60492	56723	69716	67727	64002	58244	646464	52586	64571	62423	66991	61757	76868	83790	70786	70064	63184	55332	79041	85145	72649	65196	70949	72079	64558	68842	69849	76819	71644	70461	70002	71988	72215	74935	62402	62782	77729	72242	65561	69071	67451	67630	69592	64893	63440	68617	69727	69100	82996	78530	67672	63733	79966	75446	78150	76550	62180	55448	53468	55020	54488	47751	64371	64161	50948	53328	54048	52435	56905	62784	54776	48958	16777	18228	20518	20155	19607	17154	22050	20976	28012	27105	23604	21965	21890	23212	23656	24531	24588	23498	24563	25997	25522	24713	30903	26426	27985	25047	28530	27743	28775	29670	28857	26537
289.9436@0.79061	24262	25879	24569	27861	25110	26448	21935	19499	33652	37780	30863	30491	27657	30862	14277	13651	41143	37248	28961	29708	22613	22713	12633	14082	28559	29321	20807	22314	14572	16040	43675	48066	57255	54491	46620	48897	51667	50933	38131	34836	49535	50264	34967	36531	18999	21435	26999	30573	39078	38108	18813	16160	36702	36392	60228	59371	56834	65215	37386	40490	25022	24763	32904	33878	33245	33983	39702	40855	30362	28005	33845	38118	27332	25850	53093	55028	56642	52715	27094	29989	14448	9963	28311	31863	31450	30932	36613	37049	25386	30355	37750	36111	15001	15185	40477	41477	42286	40837	42270	43717	37130	36787	33298	34360	43716	41285	58444	64265	25881	25938	47854	49670	51330	47819	51287	49978	56086	57519	57250	55026	57633	58106	45436	43263	14897	46294	40636	43664	31645	30636	47578	46656	27416	32310	31590	35510	47551	49152	40264	40194	50418	46325	34191	33113	57182	58370	35676	38074	55021	59305	52226	59132	41751	40458	20151	21114	35991	32852	48895	50659	21913	30679	31858	31143	11781	13328	16249	13024	16406	14815	25233	23924	18316	18201	18275	19528	13734	14784	13230	12367	12913	14053	10480	11962	13084	14263	16715	14450	15961	16246	10412	9696	22768	24254	12058	11342	14994	14880	13695	13421	18843	16821	10617	9977	12815	11021	10056	8526	10272	9933
C9 H4 N2 O8	15738	16899	18201	16974	16666	14829	13144	16967	18808	16725	14862	14026	15784	18127	14928	14311	14276	15561	16673	15597	15523	15529	16527	17362	17385	15319	16493	19327	17127	18501	17754	17662	16577	15239	17347	17939	15501	18362	18849	16787	20180	16547	14796	17106	18596	17152	16060	17613	18043	19276	18476	17648	21636	16934	19089	19708	18316	19066	9161	10470	9785	8503	10422	8949	9243	10471	8960	9810	11303	10243	9043	9591	16690	16609	14520	15528	14476	14338	15809	14866	13987	15212	14236	12281	15084	13764	14475	13779	14256	12558	13141	16244	11536	13895	15475	16135	19196	17534	13758	16343	17472	15232	17774	17603	14741	16454	16511	13226	17240	14514	14783	17829	685107	14577	18511	18636	18534	20545	16257	19516	21605	19388	21976	21551	17049	17656	20678	15461	20391	19293	21369	25437	15703	22300	19006	16632	19452	19309	22970	18131	18564	16919	20572	20985	18664	18795	22466	18881	19535	22047	17246	18866	23847	16984	20875	19856	22360	22556	19124	16266	21081	18491	21546	20338	25788	27465	25886	27364	23521	25816	23797	26023	26025	25333	25786	27092	21806	26845	19770	15208	19322	20755	18274	19913	22700	21511	19276	21454	17892	22303	17122	19926	19000	21401	17813	23488	17315	22295	19047	20474	22438	18349	18431	20990	19099	18960	18574	19209	22062	21166
492.3662@13.668377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11558	1	1	1	1	35596	39434	36728	19293	21399	19878	94447	159816	90653	2062880	1	101237	280443	32878	24072	17267	57644	19034	26218	21028	39760	39209	25859	187129	33389	36170	27536	44704	22194	32612	22197	134621	57745	170309	46160	28096	101479	117111	37657	30662	28359	2738092	45769	50056	230617	64871	37846	46198	47078	55842	47068	102802	37418	43229	78436	211749	52017	42263	41039	39135	159167	78450	162901	196238	51334	51199	49312	60840	168326	51286	53650	42105	181597	37474	43080	51518	52761	174336	34828	73903	42562	142177	41053	340937	134310	58840	39811	36617	129618	175414	154947	49692	45879	1	1	1	16062	328898	81813	230625	18384	1	308679	1	241567	669170	314637	43945	294331	1	307948	187925	354246	7307	94188	1	30069	324604	54058	336155	1	26376	223061	1	1	165582	219737	51463	565338	1	86742	33206	32969	14540	263526	26435	1	747023	925194
C18 H14 O21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42101	40888	38748	41608	43108	41003	40141	41245	39714	32682	37783	35468	35321	34039	30989	35849	32651	54391	25731	28790	53959	32604	33005	33239	32058	30746	31995	34635	34908	34107	36979	34362	35690	31550	33265	35240	34496	31601	32023	34149	35503	29303	32229	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
239.0866@3.333056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	229428	220538	243469	240488	231354	221434	252962	253761	254564	269930	251069	250670	213346	213447	256131	209455	340133	343740	289678	293643	338952	370665	341806	342117	350782	307942	331542	314454	246379	244028	278646	281059	295362	291449	182156	207058	432100	434930	442971	462097	493677	484081	450772	446193	484860	489392	478738	496956	513050	493802	495257	513491	510783	504493	689288	546920	494689	489701	517507	521386	535388	545190	527359	516086	514617	523456	513461	507730	503613	503072	488779	483041	481487	489296	519809	526691	539448	531365	547214	551636	516885	523058	514928	508918	511528	530222	545304	542600	498299	497028	522376	532046	519263	520403	517899	512972	439992	445399	508034	512408	535891	537106	511581	497215	510003	512704	294647	289778	309944	311260	303724	294861	288205	287018	304406	307567	339370	332167	300070	303945	345027	359667	326079	323374	344836	343581	312879	327734	301014	297724	337521	332034	303521	298007	318008	316190	344719	331714	287401	280127	339462	332839	301895	319800	303761	301299	332113	331765	311653	320561	326452	329887
58.9827@10.185589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39357	57110	43083	54901	48660	58940	58381	55780	33070	58873	56768	43206	61982	60327	42118	40809	52499	43646	42288	55697	56860	62776	112497	62703	67338	50903	41822	54827	51776	47530	37702	47102	37631	36773	24380	47692	56159	55492	59176	59805	60282	59607	64503	85184	53153	53520	49311	57592	39539	58219	46518	61818	40153	51472	746694	50540	28374	25270	26660	25581	30219	29950	26975	31608	35120	28827	24776	21087	23615	30889	24233	29997	22478	32016	19871	23192	26238	20827	21526	25021	25762	30678	17334	24192	34337	28132	26093	30264	22462	37473	19082	19175	28683	24250	18573	25263	27552	31718	22876	33599	37890	33420	25395	26042	31652	36617	1	10582	1	9708	11710	1	12262	7888	8188	9295	17006	1	13995	7732	10623	7699	8292	11635	14623	8889	10674	9374	12944	12236	10248	10291	8637	8025	8936	8210	8302	12482	10494	11342	8660	9739	8806	8275	1	8644	9596	7712	13903	10840	11691	9767
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	1	10073	11003	9865	12151	12260	12380	13278	10320	10432	10034	9728	7378	1	8019	1	1	10348	8593	8669	10314	9476	11958	11403	14971	15252	11689	12766	11671	14497	11403	14115	15038	15643	12961	12374	12883	11826	13149	10673	11937	11299	13115	10881	14011	12994	13117	13421	15546	14582	16443	15398	12067	17277	13795	17195	12473	15670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7232	10166	13293	10851	12725	11845	10153	13952	9595	12837	16284	14513	14382	14338	18084	15488	15636	16029	12202	14806	11072	10724	17295	17102	14481	14657	16527	14980	13202	15939	13850	15361	15564	15330	16739	16442	14914	13393	15393	17217	558516	18606	9417	10063	8980	1	10154	11573	14358	8554	9253	7138	9285	1	9914	9085	9115	11253	1	7136	1	1	1	7564	10588	1	1	11343	13158	10135	1	8420	1	10112	7783	8171	10675	10954	8409	1	12894	12206	9645	9453	10696	9156	10155	9328	13233	9099	9978	10355	21774	21859	20903	20838	20168	19841	20020	21973	19872	23168	19873	18985	23223	23665	25875	22532	21191	18015	19520	17233	17488	15271	17983	13955	17276	15480	16091	14808	20387	17941	16206	15544	17108	18486	15002	13743	12743	16026	16051	17860	15044	15011	13992	11598	14441	15498
166.048@14.154952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76755	32051	20751	10859	1	1	1	1	1	1	1	1	1	1	16656	7990	16446	9155	8684	1	14466	12475	6647	10510	22000	13000	8048	9788	9057	1	7781	1	579814	21338	1	6989	1	1	11037	1	1	1	12828	1	1	1	1	1	9829	1	13261	1	15945	1	1	1	1	1	10535	1	19040	15168	19359	12151	17413	1	9996	1	1	1	11190	1	8857	1	13418	10920	9984	1	14746	1	17558	1	15969	1	13559	14320	18032	15062	26443	14203	11006	12438	28768	22028	29407	26178	18681	17756	13690	11851	17136	13609	13882	1	14078	9803	12884	11487	12734	10326	12009	1	7889	1	10667	12930	11514	10040	9837	9731	21060	13324	17854	21013	9301	7410	14256	22328	14425	13120
2,5-Didehydro-D-gluconate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11206	1	116298	21893	180595	176428	20470	21065	25591	36113	14640	12418	187334	173446	11631	14701	25370	24069	27967	26980	31305	30856	107605	100757	44356	43083	22666	26157	658682	670018	178837	201444	242289	244536	1	1	346017	360765	47528	47849	26775	25574	47335	48331	24726	60623	65166	15377	11132	11908	65626	66191	23074	23604	130324	80864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H10 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12929	1	1	1	1	1	1	1	1	1	14965	12690	18082	15719	1298183	3806115	4206646	3980023	3463500	2889329	2447340	2085725	1829080	1577124	981113	809556	733959	643823	549126	480834	200043	211007	165856	136644	113906	95453	93401	93770	98899	103017	126933	169191	183196	219343	254634	280522	286730	297904	315884	307431	425021	372103	140709	11005	101518	21510	8709	7772	66432	25925	83806	40605	32403	90915	7405	10621	57561	51465	44909	19275	19035	20979	22207	44416	25545	131770	48813	54712	66965	69219	53038	23332	48452	1	8533	7115	12126	37860	39240	28273	19654	77546	135051	13285	133962	6601	28226	61247	33380	34072	8658	24866	1	93973	1	1	31946	1	7185	136128	8705	10351	1	1	13574	45251	87597	90045	107771	11323	78657	40472	8491	15160	22602	58008	1	1	118034	18200	12011	10590	1	1	9750	8822	95615	1	20377	17873	12683	11472	13988	14602	22413	25523	11438	10886
95.9909@0.9220517	126955	129797	90136	94547	83934	90202	184591	187642	169625	168661	91747	88821	145652	146715	163165	165609	187193	167092	153560	145337	107829	111395	185490	186864	117303	124916	186999	189956	187990	198725	105385	95751	95669	91910	71884	73720	80848	84895	66717	73586	65200	64080	42687	38850	105205	100174	81540	80563	60870	74595	49798	50675	107851	105857	44902	34117	81258	75743	109638	106801	105682	106521	399596	409737	91686	88751	118811	123925	229539	221192	588525	620835	101308	100540	95122	99346	105329	100881	118634	128343	232469	227864	206459	219502	235422	235446	720146	703763	481553	488958	183685	206238	40203	68089	522737	502992	271583	292617	130514	123570	539305	535504	89202	88091	118795	121484	270692	256587	79656	86211	124716	119881	116070	101991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46464	45444	82938	83272	159371	129354	55381	50678	52514	49855	30125	27326	123476	92186	67225	58883	54567	55934	52254	49184	144876	138573	691500	315946	190854	157998	53659	51089	103929	99511	146566	153507	166340	137805	63105	65873	199408	134489	225775	185927	121735	112355	220459	183355	116313	109367	232567	116696	27733	31037	135433	118973	110854	113411	152085	123897	10465	8478	13843	14057	23496	20071	13874	13129	7165	1	1	1	10771	9452	7969	9737	1	1	10837	11089	8955	8135	11318	9515	1	1	1	1	1	1	8071	7961	1	1	1	1	16185	16275	1	1	106635	104498	7638	1	28642	26172	1	1	12141	11904	524021	537458	572262	502088	68127	59162	25178	25751	532579	462904	1323540	1062342	471831	443076	460665	442321	841767	718884	360331	363400	781020	683350	288040	258292	515028	483687	588945	566775	445629	411945	463770	446457	641556	510105	542468	533878	1505659	572287	22552	22599	861084	721244	1432669	1982097	716388	631679
Hypoxanthine	320388	333470	443721	439938	369857	366649	485052	501764	522404	507114	351518	364600	421856	418396	463800	459373	320857	327599	398355	407955	259995	261851	464716	487898	301347	307854	310231	302129	334762	359941	353240	360439	358696	368439	338527	341004	387045	375673	604933	594486	447893	426765	337606	366335	395763	387722	540350	552050	165536	167628	179563	198354	518246	514054	241696	239142	499661	486613	771201	1002220	1483351	1310927	1585381	1450196	1410771	1394971	1323921	1328361	1249140	1145072	1550029	1499433	1477132	1454144	1356857	1358709	1069464	779482	810670	1018222	931001	971606	1135669	1160777	1150048	1294885	1313090	1350625	1222933	1404900	1673627	1535732	1535966	1803113	1784189	1866609	1879858	1972743	1735041	1753208	1900536	1838964	1880265	1888716	1922557	1918725	1575363	1607961	1682364	1557177	1551531	1560043	2101807	1735419	147779	143216	103911	106833	75869	75261	107908	110498	70646	71235	107845	103660	138202	140834	165376	164219	102976	104370	226382	216023	195261	207110	85204	86358	119364	119222	89637	95437	145766	143928	66513	72243	125176	129138	98793	94274	126224	121727	133658	135190	208882	206257	91453	80902	115655	117858	159173	159521	98526	103412	95583	100119	151557	154612	184610	189900	54752	62113	209986	211607	125484	124714	255361	249254	128514	119878	108677	114652	62995	60201	242717	245103	217361	219859	158121	159575	280296	273681	144291	138679	160696	165377	172842	173799	92553	93198	201285	196937	81612	77421	186267	187944	246667	252987	209690	200753
Val Val Asp	28630	36178	32315	24246	27113	25339	36384	41204	40664	31208	26176	26668	26739	31416	32126	29199	29097	36032	32757	33676	27848	30288	32375	42052	26853	31068	31100	27110	35666	27232	29730	27273	24994	29125	22119	22715	24940	22256	24268	26533	24380	25027	23601	25163	27460	27231	24031	26942	26109	23949	25312	20661	26623	23698	23949	25592	29587	30895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14452	15020	14058	14889	14390	15033	19852	19468	22115	22426	20195	21205	14677	14237	13926	12485	12543	12703	10478	13924	10894	16573	20014	19323	22585	19383	16898	15511	19557	21254	16420	15934	17944	16613	12410	13780	18692	18717	16202	14778	568137	18919	26310	25517	22428	22634	26843	30248	24495	26602	21950	22288	24367	29025	26494	23782	24428	23170	22198	25682	27362	27589	24895	28190	27577	27973	25779	25740	20902	23658	24072	24721	25643	25044	22243	23746	20889	24080	21282	21149	24301	24497	29717	27074	21252	17060	27314	28623	25291	24846	22626	21762	21363	19894	20755	19378	25963	32619	29239	29070	25756	26693	27227	26144	25048	24298	17401	15519	17318	13033	18290	15685	24952	21754	30242	29628	20311	18357	22772	23157	21768	22063	17450	18572	25255	22416	18206	18822	25412	24934	25262	24625	23082	20568	25615	25006	23485	22267
313.9065@0.88300097	316495	328010	291372	286441	433535	432150	280355	282116	384876	384477	442238	445620	360895	362584	240691	232643	342042	344483	342992	333802	434753	436292	183468	183827	422999	439415	350180	356383	239499	225765	668894	657830	723667	737797	812118	766764	760332	758281	504835	512414	754506	781084	564736	595388	311064	299342	434691	440273	687924	688850	454518	482640	540431	537859	1027404	1020142	758045	742715	410492	394684	285034	283816	207619	204535	420823	425461	425223	435801	342810	352126	132937	140181	474750	457801	576020	550402	474496	363052	197230	199264	40801	39384	146897	159495	310178	327650	79683	88108	94662	108873	130842	128114	163555	203347	121733	122778	167930	177371	443650	455370	191674	192080	344949	344730	347436	350888	581835	585792	286698	280876	412719	397697	399835	411389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Probucol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	179641	193754	186956	199451	152160	123956	337599	332388	118577	119907	26561	23487	321887	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	105484	112056	116102	46398	46141	241555	235864	370539	272205	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	750215	276740	284240	257081	247065	17082	17259	243639	246683	253100	244628	179657	171129	25938	23516	15764	19317	22512	22134	1	1	63990	64569	16838	15784	13743	1	54086	58063	36553	33185	14777	15096	50367	51704	73975	66020	12158	10814	23906	25774	22012	24744	83043	82457	23548	23770	321829	316867	93101	93727	70998	118158	55910	56325	178355	176547	41725	40016	1	1	324730	326361	98729	98621	51163	51242	116500	114972	334861	335688	276827	283584	55697	56037	221404	221816	30199	31837	37906	35791	97585	86748	176506	172263	236396	238195	27628	28224	169720	170998	140464	130858	54246	56414	171055	166255	28655	26012	196322	175670	117749	121019	106346	97001	216969	213509	134294	132986
Lauryl hydrogen sulfate	137981	144944	130233	142325	138332	131044	128710	116955	130718	133520	125760	134671	178497	149987	135354	124209	168445	117317	167328	128510	127395	126353	121516	127230	140647	133723	127932	125882	143693	147550	126283	139668	130290	125161	114173	112653	138687	129698	121563	137792	125683	121716	193644	193817	117444	107060	116445	120096	228001	237864	135668	125598	136167	128033	134981	120104	223071	216624	62116	62040	63716	67826	71970	67029	52057	51384	47765	49296	65458	64117	99268	86808	38683	38205	36903	35555	25145	23533	43447	42492	74318	46474	48070	38252	37551	35020	23423	20835	25150	27463	38238	36961	28792	27832	41324	40150	50771	47193	54203	56480	40079	40407	34863	37801	38894	34986	37054	36883	56001	52468	35681	29081	582744	42335	42654	42155	57567	57519	95925	92012	39403	45754	43231	44510	43394	43030	40568	31685	38653	44045	28581	34493	35264	35039	133171	135485	59390	52753	40273	47207	34628	30810	48877	47874	65434	65634	68350	69629	48647	52823	34355	34336	63574	58382	50325	53491	207092	205872	50278	46614	41981	44825	48232	39869	31288	26532	44311	47429	37324	39452	43362	42408	46531	45240	49666	45353	42333	50227	40476	34331	35650	37028	40223	35475	46130	44770	44184	48870	33022	34055	50170	50677	44724	42874	41864	34890	63474	53076	44699	43733	86556	58687	67054	78467	66927	67146	74406	77056	95091	102641
112.0137@1.4070004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	318583	335389	68026	75558	733892	640334	219737	181565	890011	73637	247942	1	1	1274207	615621	622119	200061	204412	147555	120399	316617	311545	875466	869902	710257	788299	221055	179299	1069435	1042612	1097577	1062560	1134774	1350984	779837	972014	2293968	1	1093271	1186235	366386	259003	733698	733074	1	1	1423443	82355	1	1	105687	115505	116154	113572	1	1447162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H23 O S4	436850	423111	1579521	1612565	792155	779719	1660955	1616406	1055854	1027070	946240	909874	1047125	1052527	1153027	1142196	584424	589327	1232515	1220770	265877	259115	2290429	2318416	1403284	1500440	714034	708051	1113350	1129316	69465	65729	99557	100199	82529	86004	99111	100912	86846	92917	147513	155067	74422	71410	70748	71138	113271	111395	27443	28537	26481	30603	168724	155804	33394	31347	134924	141987	25263	21441	239696	246868	367438	350973	123046	124414	200419	199746	662974	657373	493172	491360	14509	13206	273952	254247	30557	31328	352540	356758	683029	663266	99365	101881	680942	680422	442196	398198	190256	185586	288965	295257	206066	236894	658831	655089	105883	98393	93268	90783	189515	177320	304187	310648	483195	483491	573088	556421	18680	20198	33405	30834	414411	388676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3S-bromobutanoic acid	447169	430669	455096	439237	400339	390215	430472	448915	425982	415716	429289	418279	456412	426651	409290	33423	459134	470461	427952	430662	419242	424303	431813	413098	398114	400161	451663	441759	448161	451849	377793	390971	350583	361641	352568	322783	363207	367228	343406	326326	372421	353734	360411	356498	426704	428676	106439	372197	444115	435801	220935	237416	117217	347247	401585	392639	321044	333121	574262	573793	477569	517439	517539	542385	466740	471919	443072	485141	478207	457983	733311	730963	325099	335515	355661	357736	399151	523346	623785	615941	696299	626701	612718	554296	427893	420856	612490	585765	505754	524837	526296	530379	263473	281064	511378	522311	473328	508402	388449	364463	437024	411307	357512	381149	377944	382782	367166	361334	397566	381162	363970	363112	378959	404171	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0637@1.3089993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6738	1	1	1	365182	627035	630843	639387	461390	388062	404918	370288	434308	395766	155320	128848	129354	116515	98989	84779	99360	108808	39113	28266	30661	23702	36382	35139	23307	27098	53585	66220	73723	82139	118663	124663	113099	129225	138112	135660	111880	141846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13181	15992	15896	16561	16405	15954	18075	15328	13810	16031	15672	15598	15937	14343	13639	14011	16131	14187	14220	16515	16564	15545	35459	24898	19878	17598	16894	16857	18077	16787	15233	17244	15876	17298	10883	11485	15747	14015	17219	12077	15982	12703	14801	15223	12864	13867	18765	13506	10469	13216	14234	12689	13756	13061	566219	16998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0192@1.3924655	261866	259500	212260	233430	142664	143339	220883	232051	255889	267338	131347	138113	158768	190317	199340	189099	191434	225642	226779	208973	104438	115902	272565	283236	144974	142214	184675	181826	239973	221092	1	21070	30866	29998	1	1	1	1	48576	43941	33139	1	31356	1	1	1	1	42375	1	15459	1	1	64792	65204	1	1	1	1	490334	469370	116682	177938	910196	831379	338324	333505	131560	1407467	238310	1	3336946	1	993409	936320	293849	302248	233234	256544	407976	435812	1199921	1132559	1074662	430508	1	1	1703094	1686832	1379129	678743	1522896	1460282	1017112	1267565	827233	789002	1401118	1420279	446710	432177	756637	762414	144409	312358	165937	144082	1	1	164040	172943	147801	141264	1	186577	1177743	1244886	1053040	1067477	1243144	1318871	1409274	1227606	916654	920449	1217691	1128677	1132379	1099791	1389072	1337465	1334157	1293960	1308222	1356547	1290354	1343703	1429338	1463404	1396203	1384456	1211649	1286896	1356936	1277353	1169683	1200697	1087416	1085024	867043	886976	1233786	1205541	987932	1007577	1354409	1383511	972649	997247	1553640	1569882	1293158	1263292	986806	1050828	344477	344711	268809	350410	313917	293469	258572	250638	529655	485274	404377	386396	310816	338528	295034	302078	505606	487320	207970	213903	509679	502643	777734	786055	343940	371682	467488	496496	649612	646039	361269	315620	573310	553033	334153	546630	519703	512023	315637	329219	488952	508541	510388	508630	420743	464672
189.0276@0.9764486	419337	424433	437944	450413	371009	351538	445891	442633	428716	424551	367484	387851	420319	422320	391441	396219	433043	407853	414743	396315	310076	313032	471314	483368	392477	414671	410282	422807	458170	442653	30065	30386	36168	47021	30516	26935	28748	33284	21213	20054	33682	38627	36651	37953	42738	41961	28779	30831	27751	27884	20119	20940	30930	28872	25410	26584	42672	36579	324146	301643	341781	343682	366953	351389	332034	323138	361202	366060	331552	353188	386480	376415	254858	237179	337744	337717	345985	331476	349994	358394	363016	347933	380718	370872	330093	326625	326543	331099	332100	307740	338312	329833	200805	271467	420621	426544	426129	430228	359812	369349	422918	421872	405057	411469	419937	415354	348106	345112	385716	402004	400139	393969	615730	475738	134004	131983	141106	135335	126077	128109	181601	177611	83335	84761	178121	181916	158150	157652	188368	187450	154951	150679	199729	199275	172832	177896	167781	168021	177334	181867	202305	200117	175590	169777	140116	141529	144726	136158	104172	112149	185411	185750	116850	116639	141572	143262	97222	97587	180871	179583	219133	210810	112419	110707	55397	51923	50173	48256	45085	47806	49300	50733	99410	94441	52682	55270	92234	95584	48473	49818	67541	61578	37436	36656	69340	81350	153074	144240	62735	60305	74518	66844	109340	122481	54698	52263	100356	102021	42750	41922	74013	79459	76211	80031	70733	68058	78393	55944	106357	102942
PS(21:0/0:0) null 11.808432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1290314	1	284088	1	1	1	1	1	1	1	1	1	1	1	1	1	39720	35167	18186	16767	25952	34229	315043	239486	42415	34423	35584	40871	104630	112981	179827	91858	36653	35101	1	1	222718	92809	18066	1	1	66247	62226	46839	1	27594	119596	41662	41212	33382	22602	1	40987	15686	132328	54115	28590	21630	15646	1	35321	33103	204014	156958	1305817	422331	134611	62791	47168	32159	47797	34325	66367	78729	120757	72399	17669	20614	193135	51228	176045	66201	68172	37955	217773	111708	47012	37079	401591	65741	1	1	157293	81700	47654	51000	191954	33825	44700	51066	31899	25261	71718	67425	27664	30645	23477	22276	43426	39296	43464	41096	64655	56963	40518	43038	71588	70871	85789	78006	32113	28656	51507	51811	60834	57505	52817	50588	28872	28041	42084	42572	25403	26200	37686	43592	32647	28588	138173	123833	29093	28151	69945	66897	54492	65602	48017	52817	43551	47209	43313	36654	57433	38828	34283	25216	49901	23893	149428	120712	29014	52380	43458	38695	61462	38598	21110	46860	34030	19653	46987	29701	27923	21633	61376	26530	31038	18245	26548	25778	61412	24752	21962	19340	171808	22619	24178	20912	58159	30246	128118	192093	35227	41976
Aspidinol	44170	42264	48101	41374	38328	47852	46241	48442	44019	41577	47448	42233	40071	38255	32105	34570	63007	39835	36140	37736	44366	47042	49388	47579	55302	55697	52306	49052	52438	61256	53489	53180	45839	49480	58133	56970	53801	49769	56489	54439	57277	56009	52235	51616	51909	49390	51289	60101	55780	62630	74622	67930	70834	67148	72420	75699	60168	57406	43418	47457	36421	44129	46685	45568	47016	48273	50305	43950	48863	43335	42377	50099	24300	9646	13374	12344	1	15102	17117	24467	23895	1	15309	28395	13888	22478	17258	14322	16650	25788	9770	12270	17607	26913	31164	29562	23324	31895	37823	31319	40607	51487	23536	26363	22277	24531	22042	26424	34683	53812	24599	35925	1349635	35370	40518	37686	42272	38924	49336	33526	38146	36802	42718	38594	34369	46647	36311	38571	41676	45045	35598	36949	38143	37222	48555	46282	41293	40147	34759	40105	40818	39892	36589	45517	38598	32849	43607	42516	38552	46940	45185	48014	44374	42501	49164	61762	41352	41112	50776	42678	36405	42490	39272	33526	47850	48717	44980	41005	44808	49592	41366	49512	50614	46565	52481	52737	64597	62461	66531	75136	64604	71089	70681	73950	72785	71611	62854	71556	60046	62170	72108	67067	65058	68405	73291	61679	67222	74957	69684	63597	67550	69448	74642	72441	74260	71528	69268	66425	64938	77990
639.3744@12.087856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13696	1	38716	19046	70809	1	32789	27932	1	1	36131	12138	124009	15745	35985	1	1	1	1	1	146686	62281	772331	173504	52229	33869	33353	17564	41413	1	1	13356	56371	25042	1	1	103740	35346	77884	15209	16019	30300	115617	61602	12341	1	308349	48972	1	1	140745	68006	1	1	141074	20240	68210	52180	112044	107187	18362	50715	100834	89884	45276	38856	126268	55128	27892	138540	89042	78010	85344	90185	216036	208971	85949	35373	29708	63762	134902	134791	169748	257379	145510	165530	52363	44645	147060	152566	41389	34887	37222	48769	95333	90566	152354	69791	44363	44302	204007	215903	185597	192107	59861	60755	72522	98467	91989	67880	178255	122571	91116	63440	85258	31533	289182	164068	74831	37126	25136	23370	53268	38992	28387	22485	61854	20877	112183	46088	48115	41687	42126	35058	33645	21608	46517	49079	85736	25253	29590	31838	357393	32117	35158	24489	78794	33831	139545	206484	66212	33878
4-Heptyloxybenzoic acid	33925	40306	15247	17196	13877	12831	17639	14911	12143	20472	17718	22667	35500	26953	34148	34563	48542	21356	42787	27212	18601	13831	14268	21167	9631	9618	16613	1	11733	1	13681	1	35093	25297	41266	25815	1	42826	23724	29862	34956	36852	28797	26847	24124	5103	21227	30568	37419	38675	9510	10933	21604	15105	27096	22746	39788	29521	14377	15842	30714	30255	12946	16294	29963	28652	13232	14779	17195	18262	31220	24430	35388	33602	32921	31385	35770	36345	61155	64845	66473	55441	66075	57862	34643	39856	13075	31107	30877	30498	26532	31188	17581	28385	50607	44263	58716	67552	60828	59028	54455	60413	26835	47658	54501	52037	29122	28797	55235	52458	43013	24133	1345304	43044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H56 N6 O8	73907	76659	85972	86087	86744	90477	78823	79252	79253	80203	81407	78910	73524	71967	67549	68998	59963	67795	64504	69854	76790	83778	77764	83986	99863	98322	96457	98212	88767	91784	93305	90154	88823	92469	110114	116879	97880	96038	94389	92101	94459	92363	95019	97686	85059	93154	97215	99976	101474	106254	122710	120913	106746	113819	114427	120302	103553	102320	29416	31784	29382	30412	28811	30099	31668	31102	29279	33680	28848	29097	29939	25727	68474	67296	71630	74912	71190	69837	76407	72651	65553	69607	74699	70650	74974	71989	71966	69080	71736	71556	75116	79424	54798	70530	69646	75096	76346	84314	86213	87251	83759	80905	85959	83561	85331	89230	91543	93285	86755	88733	92165	88455	636147	97262	18892	19498	19146	20666	17553	18281	20811	17529	18757	20479	20703	19477	20658	21101	20080	18139	20118	20015	17770	19055	18050	16640	20165	18718	19871	19212	19598	18538	18134	21229	21362	19791	20720	20587	19709	20300	22256	19183	16586	19027	17577	17963	21765	20800	18722	18780	18557	19634	21463	20680	286066	285146	278007	289088	276734	277313	279598	278859	202843	208744	258325	263560	281096	280301	220462	199524	177060	178210	171058	176208	161696	154344	150538	148525	166315	155051	157594	156655	151264	155032	158669	160549	150283	151824	170630	165323	141334	153503	157281	156305	149908	161508	161442	157263	142226	143347
298.1617@10.002329	145455	309861	59830	34431	239834	240336	269617	223897	136953	226555	213145	221596	1	1	1	386195	266206	267475	314592	234139	302521	20498	136790	325700	1	287877	238151	14390	1	1	258067	243615	136819	1	255996	1	261341	1	13476	1	1	1	221178	1	1	30140	1	132884	264020	241578	244426	1	1	247067	1	240173	273516	310947	44331	47085	52988	43944	52816	36659	43143	51449	47947	49013	42963	43485	45301	53714	62244	61912	26527	22114	19041	29092	32510	27907	33549	27417	53421	50210	28245	25260	27701	1	16163	22288	22946	21128	21637	30658	36940	39344	37121	38962	38698	41166	31217	34619	49856	29396	28802	32990	29354	45255	42233	41816	27019	29928	658358	37730	31431	25193	34565	32509	63312	44505	40554	35521	31368	28204	38064	36882	40118	16214	56509	38180	27593	30982	33580	52047	41199	52464	30703	17683	57876	80395	18340	26855	39350	34089	41311	28141	47151	31567	49519	35845	34607	31657	39419	40767	39004	42124	55397	55666	38668	38382	40587	38801	24105	33313	106632	113402	111213	115376	129892	130442	128725	116307	52376	108084	127818	83056	116122	121696	92698	105525	109502	106108	90939	107192	111668	91205	111326	58450	106134	109132	100266	93724	106376	110718	95572	97114	108060	106452	99761	105879	118596	107173	118364	107265	104721	107327	113129	118542	113442	94973
404.3134@13.678002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67347	19769	61872	56866	37074	40014	43814	18262	1	1	1	71132	36874	37341	27989	25201	40698	20062	16036	12718	60380	30943	64838	40611	93287	88755	83029	60573	15300	35961	92707	57724	74715	55623	96980	55172	109983	28259	26531	72642	828732	22384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.85927486	554295	555348	550626	592131	600192	595913	587204	575882	615901	569309	588154	590542	587609	580447	524336	557665	614878	610087	598329	595443	602997	581367	543167	531718	576720	603871	580458	566541	570663	570023	667324	667611	655650	658396	679918	656484	662197	679189	648269	644574	659008	658863	648228	663112	633404	640749	639938	654729	648264	660395	486631	483726	628024	630793	702915	677759	662671	675871	547754	551701	558894	581948	484419	478145	588871	606575	602705	623440	595785	613684	415899	420375	392186	385825	505345	507115	531143	651928	620628	629753	463530	442443	493086	468148	569462	527984	308973	298718	338240	355089	358969	347316	406123	360401	367631	372890	390112	410117	540053	528799	433109	437726	479998	501698	519230	517950	574516	582178	498440	496147	516654	521724	515441	518608	640969	654911	679838	695455	546051	549790	697748	705782	685631	689611	710179	701006	658511	686177	671406	670628	711574	698599	675249	673144	728618	718979	755729	717740	689567	698933	735746	743289	726723	737332	783279	794542	723026	694501	782655	775821	763920	743330	710955	763140	560922	536563	753735	728479	607711	586443	694692	735905	726557	776179	405505	413586	424924	436581	405913	409705	556677	545565	408078	421358	440168	459012	559475	584363	510258	479745	466815	485324	500371	503061	457965	450746	455670	448412	484122	490862	454408	434672	472030	477103	463647	475298	429367	435042	501054	502508	459254	468235	622490	649507	472619	462423	445300	436988	470841	449920
208.1093@8.611561	28641	34500	20711	22717	19853	18325	29382	23312	31089	17129	28577	1	35449	22529	56505	15454	149018	29615	45668	8612	19164	16980	15719	17951	24229	20221	20663	19896	21827	18265	21310	21668	17956	27122	23211	19725	35953	31466	19726	22787	23587	18368	20177	16282	24986	12550	29147	14008	28234	19560	22037	22097	31686	1	25460	23811	22490	17377	1	1	11840	1	1	1	1	1	1	1	1	1	1	1	22049	20864	23257	17301	1	24504	1	1	16736	25949	17916	22377	14363	25050	23045	14794	16000	19985	19228	23703	17339	20200	25876	21760	16497	1	1	1	1	17594	13819	15683	11084	1	16664	24080	19085	21199	15689	26243	835955	1	1	1	1	13920	1	10947	14550	1	1	14486	34258	1	1	1	1	1	1	21289	14393	1	1	1	12814	1	1	1	1	1	8913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23270	27303	12348	1	1	18994	13391	1	16429	14898	12748	14257	1	1	1	22694	1	11053	1	1	1	12657	1	1	1	1	1	9999	1	1	1	16677	1	1	1	1	1	1	1	1	1	1	1	38450	1	12314	1	14154	1	13055	13100	1	1
Phosphoric acid nullnullnull 0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2092621	2079926	1958703	2015562	1947141	1996160	1827403	1853993	1826656	1779942	2025053	2073953	2909577	2826142	2775246	2628442	2011813	2039331	1650729	1676264	2068353	1992603	2544517	2431227	2342117	2154210	1928142	1943657	2661479	2623834	2323977	2477694	2487570	2422052	1876027	2193248	2682849	2737349	2473466	2491860	2303893	2335338	2413108	2420234	2637682	2683389	2465961	2258427	1980024	1966629	2826459	2854883	2364976	2216526	2968577	2430978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.3751@12.199986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40806	1	18688	33910	96626	12700	60660	17102	1	1	108189	45462	130638	25463	25939	1	11809	1	1	1	95070	14406	891252	243280	139203	84194	87167	28203	40131	1	26214	13418	47611	21746	1	1	174304	24783	85753	17861	24862	17185	211647	89227	22996	11783	408703	38495	1	1	77021	44521	1	22259	167553	26397	77008	95106	107779	116633	113584	108715	103619	110473	36011	41544	147771	132270	168834	151889	213550	28227	113523	107181	268394	247021	103644	79767	68773	70565	130070	149576	229479	266667	172987	148080	47784	48923	134651	159728	35514	33771	121330	125232	83594	100307	67250	103434	42564	44529	226310	158368	227975	197036	63752	61999	78327	48089	42268	31762	57462	60512	30779	32570	22518	19231	199728	133782	27360	1	14444	1	39952	29416	45841	28867	27621	1	118188	42297	23512	22353	47455	37094	39148	1	22475	22677	66612	1	34329	18589	197402	36575	1	1	41330	44917	96596	160063	51841	24768
> limit null 0.78693414	1	1	66671	1	1	9624	1	1	257655	1	1	1	1	1	1	62622	14668	1	1	69186	1	71405	16774	61308	57785	69824	8711	77296	157895	352607	32204	88687	47856	96876	110155	86696	90237	66004	59511	48637	1	113303	100018	121265	73953	67508	65395	81465	22131	58643	18145	84545	82711	89526	118546	75255	14834	100574	296514	259706	405326	652039	304003	233651	309236	340213	334712	328177	349413	280965	269509	282881	48125	124256	152040	92767	81520	61239	138658	52305	43038	70601	71846	516459	38764	69752	16079	11684	621369	61081	72690	73587	6628	306010	51898	53611	1394117	23456	87011	43553	56345	41087	66080	6909	35847	55023	30623	46128	286213	26899	44178	10890	131467	45276	65876	34818	96503	69151	87362	60761	63217	53055	66489	34002	13915	87211	61910	45000	57021	54350	67682	54288	411812	396512	379916	434714	349183	506349	305828	360293	343113	362832	404105	419675	340293	324260	315160	321105	299712	271176	351168	385617	332609	306948	303651	339129	308309	319270	7763	11076	338583	346950	322452	312956	73747	314780	68832	28785	79552	16763	85602	9034	43790	365983	68055	74586	63569	11541	426435	449539	92112	428662	5032	10584	64104	7367	12318	68941	65416	73577	75167	75024	13104	52057	61010	64747	66552	53342	33811	65580	75246	8277	32325	21378	60743	10690	70024	77747	79994	45388
452.336@5.329384	2254770	2343044	2283600	2408260	2326816	2202587	2047860	2125752	2126664	2120180	2093609	2141611	2137040	2051552	1978555	2058467	1856608	2123096	1966623	1913365	2172282	2209229	2227906	2390232	2589492	2670579	2542887	2567330	2407674	2627762	2461818	2446568	2499653	2520602	3147917	3165881	2680866	2567908	2686772	2657481	2637653	2595983	2597909	2517161	2482197	2558200	2528862	2649612	2629072	2698005	2919917	2883383	2755342	2757512	2693311	2621813	2647081	2620990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16412	16325	14287	15338	13929	15079	15573	13485	16344	14210	13076	14044	13324	12999	13923	12511	11841	12054	13682	12214	14775	18446	15381	15649	17822	14701	15083	15590	16230	16956	16919	15937	18800	14525	15554	16466	16146	16020	14588	14572	560774	19059	1	1	9327	8933	9466	8767	8367	8578	8457	8768	7414	7320	8153	9699	8123	7288	8028	8655	7763	1	8022	7822	1	7997	9572	8632	7778	1	7785	7568	7598	7257	7561	7548	7823	1	7806	1	6947	7945	7490	1	7363	8007	8604	8313	7669	8340	7619	8522	34653	33814	31668	33824	31538	34413	33620	31998	30417	31760	32094	32351	34753	35083	25035	20535	18490	20011	21606	22479	19673	22447	18784	20901	21775	20780	21025	18640	20207	22252	21390	19624	21375	19941	19854	21003	17332	20797	19400	21282	18444	19111	20779	22750	21016	20388
C20:5n-4,6,9,12,15	303027	248796	53424	113356	42048	25023	40181	12354	141208	59501	44060	62036	325652	58566	230913	118823	1156075	146702	193007	55151	103249	136484	11192	18664	454786	125853	70239	24893	62035	37876	1	1	1	1	12880	15442	1	1	341726	225080	7133	10597	1	1	1	1	126040	41623	1	6701	8445	8597	403176	106156	1	1	18023	19276	1	1	1	1	1	1	1	1	1	1	1	1	7213	1	1	1	1	1	1	1	9129	1	485180	130110	34847	6488	1	1	1	1	1	6241	13689	6525	1	1	149457	26138	96236	25527	15498	10209	202402	62868	9383	7204	277782	17362	9009	6150	40988	15134	13420	13153	51384	19704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	168687	205720	272514	198173	1	1	1	1	47399	23385	1340085	867090	49805	30080	65278	51365	303658	186051	71716	63470	89812	40696	8700	1	69669	62056	71136	62939	54766	39202	102145	96888	68167	25635	78678	80215	1144121	55050	1	1	170780	79141	594310	1466302	84616	44939
621.3648@12.49337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32049	1	1	1	1	1	17522	1	32821	1	1	1	1	1	1	1	33189	25275	678985	151778	43180	1	1	1	1	1	1	1	18690	1	1	1	55243	1	45787	1	1	1	60317	25306	1	1	189857	15973	1	1	42256	13607	1	1	29302	1	17025	30162	25573	22760	34969	33419	21563	25446	1	1	34306	39402	29439	31086	46387	51655	17360	15001	52374	57909	1	1	17254	14223	33473	32202	54496	68614	36797	49539	1	1	29427	31141	1	1	24803	36165	17724	12962	160079	129901	1	1	58397	61935	50330	50834	1	1	33669	45810	38311	25243	19829	1	1	1	24486	1	151825	171884	1	1	1	1	30267	18370	1	1	15858	1	16134	1	13231	1	1	1	1	1	14789	13751	26448	1	13869	13397	177210	1	1	1	29255	1	65727	144660	18923	1
(6S)-dehydrovomifoliol	149582	161080	71333	53924	60385	61297	70956	53246	100155	96221	76932	81914	169096	141378	193555	169475	310486	138966	81133	107835	67149	70110	51485	71170	50045	48259	59135	33534	47829	54091	58562	80187	89957	92075	64131	58450	100316	94053	95137	97059	132943	130781	91977	77007	51000	52827	128139	117829	13232	17475	138704	122603	172151	148074	14190	15490	88095	102368	85381	72660	182240	148860	65433	58229	101265	116264	37985	39779	141243	124952	80323	69515	213669	200248	101957	116386	119413	112193	218563	210025	362211	264323	201201	191784	179751	181052	68408	74322	82830	91272	76857	65494	192341	164676	150130	117286	173975	136470	180673	161086	211684	185379	151577	150671	193289	156825	60681	63712	319082	292860	179673	164013	255745	195102	174063	161206	183429	163035	222158	164278	156410	144689	91181	110801	117853	100659	102176	92752	138372	125006	93495	106276	145718	137913	154640	163837	174341	192366	52948	61792	44977	47886	51178	58139	142834	124502	81771	81277	38950	49887	151891	159093	73045	69906	331951	376965	82060	99776	169161	159193	83281	91235	131704	122480	65679	69907	75362	69644	54717	55330	43135	48727	123195	126599	157290	146440	201631	203661	75544	64539	41231	34755	53276	52013	86396	86465	151894	131768	121422	141421	27284	30135	49559	55212	104659	102505	109687	100997	58879	50220	116657	44609	23493	33516	46280	39322	37289	51824	59501	36373
Acetic acid	22637	69278	92736	49873	1	66272	49255	96093	95117	98191	27904	73732	66833	72446	86839	44023	20557	73973	79733	37234	53405	57300	113306	60634	83642	86420	79790	42749	69359	124603	404122	367324	711401	666133	521758	527870	391951	386272	893881	904576	390514	456281	477302	491641	483698	443019	878676	911440	225711	231469	207001	239013	982195	954509	239747	232060	744343	679558	715586	824993	2233406	1152895	1693596	1133152	3964372	4213241	902810	577984	1155715	741557	644247	772348	1893615	1459571	2089841	1259194	506442	1023605	816604	715176	254127	173362	889963	679296	926211	842667	278633	423798	1354294	580017	273976	281495	575736	522775	834995	325114	975381	813830	674590	649481	875991	866795	575784	790716	840136	262430	756432	725923	593904	569402	705475	1664826	1822956	1169266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Furmecyclox	24814	23299	15089	18354	20467	18223	18053	16044	18770	17071	19187	19315	21032	18896	20256	21431	28994	23438	25554	21002	20555	20312	18964	14669	15341	14361	15879	18130	16222	18326	15946	14475	16897	15157	13759	16199	15925	18928	20946	20397	16996	16346	19874	19115	17986	16946	20351	15962	17415	13706	17023	18230	20808	18819	17967	19333	17588	18436	19384	18315	19855	18292	18824	17154	14628	17033	17684	17744	17619	18020	19842	17810	13613	8856	10549	11502	12370	12464	13798	14906	19455	18308	23545	16395	12764	9570	11082	11334	11230	9794	11986	9123	8923	8779	12381	13254	13789	12229	11287	11579	14361	10793	13269	11711	13104	14596	10307	10779	13393	11633	12164	11772	524100	13810	13909	12916	16747	15018	11972	16287	12800	12653	12201	13176	12674	14340	14357	16848	13551	16218	13454	12642	19244	13997	14735	14467	12471	13047	11926	15771	14840	20320	16356	17861	11937	13506	18550	15199	14733	16394	18051	15533	15180	12833	17426	15934	12401	14017	16679	14936	16218	15666	14912	11674	16180	16453	13963	15889	15274	15073	16801	14648	14493	16664	19401	19449	15265	13566	17063	19312	20593	17495	20753	19447	18760	17989	16461	14882	17798	15815	16920	17557	16322	18840	20490	18860	17807	18892	19157	19560	21697	18870	20166	16255	20555	20030	22411	19342	19103	21890
C8 H4 N O6 S3	42493	40791	41088	44876	45836	47090	34627	40157	72251	73318	49362	52855	48747	56935	30385	22228	75013	65848	45871	46986	36760	42879	23269	31331	48813	63652	41582	38080	34485	32853	67835	68962	81136	85299	73431	65574	73515	74942	61147	60950	73754	77025	51894	55836	33862	36457	39025	50217	52223	52903	16926	16784	52689	50502	88366	88056	89295	89829	53127	56148	36074	37898	49305	49068	53569	51524	55889	57430	39384	40063	55032	49680	31867	29744	72257	74885	77786	72627	34373	38909	14273	12215	39892	42026	40850	39417	53287	50008	33028	35708	46262	49093	20124	21682	62417	60652	62800	58801	61787	63976	51604	48611	42977	51625	56662	54037	79552	83332	39951	34475	61881	60933	67382	67397	155182	150442	160542	158192	162817	151196	160860	161468	118166	119478	40783	109245	113827	110671	86468	89232	124337	122102	87024	91648	94066	93462	118732	122852	107202	109958	116029	114702	84868	80400	131385	131953	103157	95354	135287	133848	135747	124575	92962	95455	62193	55877	83273	86248	109556	109991	33928	70005	77841	74631	30052	31061	32982	32819	35667	36622	59075	54544	35443	36209	39723	39672	36383	33655	26836	25275	27265	29154	25033	25373	26452	25449	27718	28313	27323	29999	20572	19213	44424	42391	25140	23581	31403	28035	27195	25637	30168	31576	18675	17775	23281	26020	19521	18802	19487	18455
C27 H47 N5 O6	1	1	8535	7900	7746	7677	7526	1	8072	1	1	1	1	7265	1	1	1	7509	1	1	1	8228	1	7889	8934	10628	8890	8812	9482	8761	8167	8641	8342	8686	10895	11581	8767	10438	10249	11414	8507	8716	8568	8647	9057	8935	10519	8838	9987	10481	11372	10702	11000	10809	11522	12986	9291	9516	1	8282	1	1	1	1	7847	1	1	7108	1	1	1	1	74865	70771	66953	70750	72402	68808	68482	69551	63020	68747	65509	67494	69000	63531	64365	67135	68488	69172	72659	63703	69204	81645	75652	78358	77832	75021	81707	80811	69421	75215	76975	80083	71768	73230	78834	84595	74808	76191	80567	74292	615636	86871	30292	29701	31947	34435	32236	30423	35219	33371	30616	35632	29501	32723	31703	31536	33652	33237	33587	30976	32937	32426	32299	30380	31042	29796	32262	31181	30689	32265	31126	30100	31649	32979	31533	34716	33977	32874	30894	34899	32772	32067	31314	34548	33996	33064	28417	29969	28673	29509	34022	33655	88961	94296	81837	86952	74234	85318	83448	86713	77665	68522	93489	84538	80916	88635	64282	63813	59818	61606	58660	59624	64166	60031	60925	58819	57414	60754	62658	58438	64996	62264	64459	62482	61600	59826	59060	59462	55705	59016	60358	57018	60977	61612	64560	63492	57233	62059
889.6311@17.419003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21760	1	1	1	1	1	1	1	1	1	92722	64783	685918	178136	60657	1	1	1	1	1	1	1	57063	22821	1	1	77185	1	79191	1	41076	1	84182	40399	1	1	418450	55366	1	1	74681	34639	1	1	68943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.0082@0.70647347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1620223	3107608	5783239	1	1	1	1	1	1	1	1	1	3108863	157637	3268791	1773820	1	3047745	1	1	1	2792420	840240	2094115	1	3118770	3153429	1.73E+07	1	1	3240148	44345	1	1174947	1	7732977	1	1592004	1498049	1	1	1	1	1	1	2816549	1	1074877	1	1	1	1	1	1	1	781985	1	1	1	1031578	1	1	1	260909	1	1	1	1	1	1	1	1	1	1523152	1	1	1	1	1	1228071	1	1332959	1	1	1	1	1	1	1	1	1315591	1353934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1538803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1408146	1	1452501	797649	1	1	1	1495557	1	1714321	1514365	1	1	1	1	1	1	1525122	1	1	1
336.0581@9.461636	12792	10934	11782	10939	10925	12308	10953	10818	9192	9486	10064	10429	9872	11278	10643	11370	8722	10518	9468	11083	10589	9690	8936	10856	11257	9731	11387	10533	10316	10712	10074	9468	8907	9755	9362	10510	11066	9048	9646	10470	10417	8479	9221	9746	10375	9503	10280	9632	11024	10591	10843	9653	11242	12193	10072	11064	12256	13262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7065	1	1	1	1	1	6768	6777	7609	6781	7604	1	1	7689	8195	7842	8539	8437	8192	7487	7785	7004	9051	9056	10417	7500	8027	10317	9593	9360	9438	517276	12074	9213	8310	11003	9131	11282	8846	10585	11010	9651	9547	9475	9453	8881	8467	9280	10999	7495	9579	10408	9763	8854	10213	10990	9738	10740	11250	8239	9354	9578	8765	8734	10023	10382	8983	7927	8228	10536	9518	9625	9717	9804	9860	9084	9449	10481	9708	10082	10215	9678	10923	12494	14969	13019	14234	17460	16114	14299	16750	13735	15872	15887	15406	15008	16155	13138	11487	12139	11633	14201	11609	12054	12696	15002	15117	11643	12061	12101	11145	11231	11959	10154	10741	12845	11043	8753	10540	13210	10589	11566	10315	8112	9775	11190	11698	13023	10486
C75	92570	79737	59953	61738	65912	63939	64935	68507	64408	62057	73505	78086	64925	61536	68519	67380	89547	75001	62517	66186	94475	93251	79533	95774	63109	63353	58147	58258	77710	84006	63198	56226	59919	58879	68544	70900	71889	67446	68244	71642	64811	62362	75676	69833	67601	68533	61222	58349	35034	35869	16850	15634	51462	55200	67420	67316	64746	67632	13722	17429	56798	53047	27624	28854	20248	22941	39411	43580	26893	25014	18380	16570	14869	17235	15743	17026	13534	12674	19559	14204	22066	20182	32337	31556	25067	21766	80966	68104	60890	62022	9870	12681	17035	19590	89526	88940	31926	33314	69930	64408	16330	17493	16141	18471	11975	16643	14845	13922	51189	52203	23572	21470	477034	76209	23570	20539	11936	14161	9194	7320	18706	15225	8874	11158	10580	11160	17477	18162	10465	10737	19154	22324	15486	14878	13486	14237	63703	59202	21415	19227	60704	60120	29374	22705	61939	60920	69821	63693	81379	78845	41112	42142	64701	60411	10532	7655	12507	12534	14039	14280	52018	53684	47975	48167	11506	14062	13025	10883	8030	11652	14083	10767	16138	15723	39383	38136	24429	27021	41839	44487	41062	39826	47450	44885	48206	48510	50869	51213	46298	47204	50143	48292	48420	47390	52877	52789	41767	42033	46127	50427	53740	53058	47506	42967	44996	49469	45641	45020	44277	48231
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C26 H44 N7 O7	12687	14916	14714	14513	15934	14142	13179	13114	12281	11267	10521	11020	12061	10711	10813	12163	10624	11077	11165	11237	11282	12105	12474	12863	17198	18084	15615	14974	14778	16983	15131	14598	13962	13420	16505	16913	16627	15786	15376	14262	14254	14713	15114	14031	13690	13239	16101	16401	14022	16720	20450	18331	17146	17579	19335	18146	15025	18206	13986	16661	11450	13216	15441	13559	12851	15538	14657	13429	11948	14814	13881	13561	29696	22762	22883	22632	19969	20480	22486	20800	18127	18731	18350	19213	17814	20068	17899	17884	17945	19987	18322	18142	19161	23417	23547	24173	24631	20971	24269	23534	25868	21933	22075	24669	22038	23176	23728	24815	20561	21041	22849	24550	585510	27194	11007	11957	11300	11324	11139	10911	12201	9535	12748	11389	10573	11648	11536	12115	10144	10593	12133	12356	11117	11148	9266	9897	10471	10547	9747	10999	9569	11936	9182	9374	10779	10264	9975	9953	10290	10226	11132	9681	10999	11363	11450	8669	9706	10723	9757	10475	9829	10593	12160	11367	56755	54752	55992	57647	52912	54189	55496	51581	50413	50450	50557	49252	54564	52185	39266	38302	35614	38184	37955	39052	35729	37376	35845	35845	37311	34524	37363	35809	34016	34863	36473	37476	35499	34304	33573	35255	34679	34850	37239	33716	35488	35101	37640	38000	33824	34066
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C30 H37 N6 O7	304467	283636	101264	137501	116503	114667	91098	71938	191286	147419	128431	139468	418437	204234	410984	268668	762303	170333	280657	159281	204359	271140	102015	99807	262545	157996	153438	118117	108492	95486	1	1	1	1	1	1	1	1	27063	22268	1	1	1	1	1	1	22925	15762	1	1	1	1	24961	13893	1	1	1	1	27283	25092	44562	40880	92409	53843	24107	20318	33525	24162	26130	23773	64202	41705	16954	18620	22778	22799	22997	19290	52145	47820	577125	216466	92330	56890	36704	30313	39728	36435	65638	65655	95066	76232	19992	18524	98178	49851	100741	66251	44804	38754	103800	73071	43990	38295	133669	41680	22754	19917	56463	43648	40906	41929	53101	43853	1	1	1	1	7922	9754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7178	1	1	1	33050	32308	1	1	1	1	1	1	1	1	59170	61320	51443	43965	1	1	1	1	53057	41197	164198	125321	21040	17981	41499	32359	85265	61707	39054	34495	67143	52966	19139	15416	43933	37651	47040	44558	33218	30113	40887	35291	57297	36271	46993	46915	182099	45529	1	1	89257	58113	175376	264506	55647	44890
C15 H5 N3 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67984	67658	70806	69267	264591	258911	40627	36475	44993	45172	52288	51160	363604	357045	49888	51019	46224	40133	38118	30325	49789	53739	259535	258715	188188	200379	49889	51751	470111	460984	349480	358910	328779	337182	89416	103045	382800	391760	291419	290522	48636	50446	229475	236290	95097	91702	87391	87513	55724	58335	90598	88457	72551	73888	99374	102145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.3998@5.6719785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162812	178580	163132	152609	162431	165226	181285	172532	173593	178771	166920	156810	149978	141372	175830	158855	169081	171017	162113	165826	189751	175767	131484	159437	165625	152937	166056	171996	153147	151861	171216	167734	170412	178205	146727	194807	167754	185907	191899	222433	209584	210922	208061	195273	212686	219590	208079	221285	232538	224539	210382	202195	214674	217460	1044525	243441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17207	13851	13500	15807	14438	14484	14539	15413	12214	11662	14238	15385	14813	14895	13506	12259	14111	12246	9937	12282	7890	9306	6611	8154	6888	7064	8528	8131	6307	8774	7586	7053	1	7164	6886	7596	6536	7561	8494	7622	8043	6826	7884	7926	7677	6597
C6 H3 N2 S3	116205	117494	121828	121330	63682	64870	123919	122999	113569	117920	66725	69858	96691	92989	78534	86083	110775	112768	98495	99065	52306	52542	136262	152679	93681	95239	86162	83236	127189	130102	34448	34233	35665	38134	40476	35047	39797	33058	36034	35597	35120	37213	34714	35892	31967	33297	36365	37474	32432	36998	28271	25245	43735	40848	35659	35518	50377	47722	166305	175324	167497	170276	371380	359988	135183	132019	129167	137983	96431	103719	476669	471234	89505	89839	104029	100963	137167	129878	176489	203145	444297	420458	331681	341013	92814	93814	568891	556940	443283	466081	449804	446755	190553	188123	445814	441660	357316	358840	126143	121677	304121	306410	174287	184165	167688	176599	81925	73706	157616	152229	151279	159704	197020	197972	10039	7491	8973	6374	13881	11960	9678	13101	1	1	14768	14280	11728	11950	17730	15878	9082	10229	23966	16104	13404	13739	13305	8986	10577	15328	17892	23792	12797	12549	1	1	10543	7110	1	1	13918	12000	6527	7122	23165	23813	1	1	37282	33569	16863	20841	1	1	1	1	1	1	1	1	1	1	17807	17527	1	1	1	11321	1	1	1	1	1	1	22441	18898	48871	50518	1	1	25884	18519	27074	27748	1	1	31405	28983	1	1	18313	18358	1	1	15397	23023	32642	35206	23229	23220
C4 H2 O4 nullnullnull 0.87912244	8091204	9197637	8992158	8578043	8833700	9696740	7466924	8798495	9245553	8400684	8485856	7226247	8213489	8776044	7336411	9033842	8508280	7641333	8734906	7703560	8681273	7755966	8362863	7323047	7702500	7883044	7660711	7728696	7425438	7641405	9144193	9020404	9484170	9020465	9876422	9124315	9235044	9131240	8405058	8410053	9139969	9839623	9369365	9925839	8662356	1.07E+07	9590339	9750803	9855501	9641646	1.04E+07	9860837	9807886	8703093	9743296	9579142	9273098	8544064	7085877	7777881	7025058	7850648	5020271	5327181	7710865	7417279	1.23E+07	7570303	7344855	7154945	5800667	5750541	8098887	6600438	7853126	6312446	7282588	6658746	5803904	4710922	8098996	4038333	4287495	4578884	5543888	5533826	4013099	3969437	4386775	6112725	4768130	5839234	8247121	8115973	5467306	5566999	5456769	5810189	9238349	9051310	5988224	6087935	6696987	8301484	8301038	6705623	8324360	9239561	8361464	6732206	8321358	6809588	919495	7046748	51490	3276963	150495	115059	78047	55324	3301344	72730	156729	5220305	1.02E+07	3268763	3427633	562659	79091	7405233	67288	73679	3318552	7618085	54000	63254	61729	85612	3365884	70290	1.02E+07	8911210	3304288	86184	3471882	155869	9372752	8843212	8849464	65696	3356711	7743397	3362818	45133	66937	3387461	48721	262051	8686024	9299793	75103	66271	176950	91809	244308	228692	7453346	39583	551165	3109913	496377	45505	3064887	7725640	218117	54410	7437150	7974267	14990	277510	113944	8061124	16124	503191	7815826	7758187	8285756	7500048	247440	250105	7808942	7718773	8346978	8564747	27922	308079	8784728	7596190	301332	8928272	103850	7753393	479714	562547	7820306	8717424	7657813	7693028	7823478	7746966
4-Heptyloxybenzoic acid nullnullnull 9.171553	27508	31396	10328	10802	13813	12453	11526	1	19415	14974	15638	13673	24309	28857	24285	31313	45396	18160	20169	17620	17528	19754	12821	13632	1	8793	10991	1	11976	1	10670	1	14371	9376	9904	1	15134	1	15506	13206	14555	16294	10308	10348	1	1	18154	13250	1	1	1	1	23062	17186	1	1	17770	26157	1	1	10664	10154	1	1	10064	10850	1	1	1	1	1	1	1	9900	1	13885	8367	13544	23685	20992	65642	29872	31032	21208	13058	12833	1	1	8252	11387	8677	7146	9208	14487	20968	14568	29265	24875	25359	21386	35485	20710	19872	17235	36388	23257	12639	12318	23767	27867	17999	14649	427995	18678	15141	8372	16638	26955	1	23840	15668	19835	1	9690	1	1	1	20394	1	14041	16248	1	17425	19621	13981	26076	24599	17522	1	16832	13466	30814	1	14941	9974	15907	1	9851	1	1	13410	16724	1	1	42720	31965	1	10807	1	1	11617	20172	15545	14366	21113	27661	23664	20350	33525	20699	22734	39001	31852	24731	22235	24919	28550	29696	16125	17443	12268	15840	16232	17857	15793	14077	26831	12829	13937	21383	9785	13381	13129	13392	13956	13214	17177	16220	11047	13946	19480	17199	17256	14879	18927	12027	18473	19850	11628	12349
589.3382@10.896268	140785	125164	66822	74347	90398	84743	68404	61167	102824	87787	98178	106248	155198	97842	186443	139399	453136	121482	162480	115654	118181	141922	111738	113916	119851	96438	91601	81516	93846	85702	1	1	1	1	12873	11497	9829	8695	61594	51279	21262	16962	1	1	1	1	54917	46421	1	1	1	1	58570	40698	1	1	8826	9803	39474	39189	26120	27262	59504	46914	13531	12621	15397	12805	9318	1	67050	55186	21933	17924	12539	10301	21705	19887	63375	57872	384322	157720	79236	64500	15397	14386	65183	61240	67583	70345	84143	73212	26960	24267	94206	62941	104822	81182	48705	39711	90708	71591	45023	44722	108659	43657	1	1	59713	49903	45740	44575	49769	34949	1	1	12406	11806	30294	29861	10374	10637	1	1	1	1	11986	11739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11690	12764	1	1	118460	112788	1	1	35487	37191	1	1	12046	12477	46285	51406	57284	53278	16269	10162	7328	1	55180	48276	131397	98812	109726	105356	48877	43596	79921	65108	40400	39453	90120	81346	32641	25914	45489	47031	73694	68988	51539	44544	53091	53834	87088	67012	48699	46713	167314	62820	1	1	96493	78000	181883	250167	83013	70205
alpha-Asaron	20079	17512	19504	15729	17248	21544	15517	22406	30565	38976	19726	34301	16967	22281	35390	26556	196388	26406	24706	19807	22132	26372	20996	14022	29196	17289	25294	24620	16496	22140	20835	17899	23949	16793	17865	15964	29921	17276	21697	23310	16042	27439	15406	26941	16220	15463	17635	21914	26560	20931	27803	18697	34578	18194	21459	23557	27830	20836	16779	15480	10780	17279	12125	16328	14951	12460	12556	14098	16040	14240	15487	15053	11973	14881	12208	13072	13884	16873	12081	11775	33830	17844	10048	10116	13901	12325	9749	12694	10336	16245	1	14364	10942	11455	14488	12783	10102	14923	15020	15330	13690	12933	12353	14255	23884	11166	12318	17076	14311	14216	9967	12992	918674	13570	14139	13506	15302	11355	15917	23450	15427	15406	13672	12599	15584	16011	19200	10341	10782	13621	14697	11025	13382	12566	14258	11184	13749	19686	13709	11550	12544	14067	18923	18327	14421	12957	11538	14386	14888	31236	22836	15089	14545	13845	17351	29294	18059	10883	13928	25309	9923	20814	18089	12620	17126	32799	17149	18987	21788	18484	16661	27698	13351	18696	24643	20066	16611	17353	17471	19790	19045	17003	17297	17895	16445	14380	15067	18306	18591	26054	17976	19462	23320	15889	18740	14000	12699	19473	15160	19014	14688	18145	15132	17510	13661	16292	22119	22739	18804	14819
967.008@2.84	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	735573	264926	176036	1	1	96134	1	1	1	1	1	57141	1	1	1	600287	1	267054	124981	1	1	1	1	1	1	1	1199992	630169	1	1	279329	1	3782565	48382	1	1	1617624	1	1	1	1	10959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.8921@0.8370005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	165687	163166	186302	189351	83011	84783	235798	235913	222217	233496	229037	228636	56705	57713	376426	373317	430732	422851	272997	116053	60816	68293	47030	53260	66730	74977	208950	231040	57491	53495	69110	69565	66812	73679	154205	150606	80795	81308	107554	100706	403921	402482	140543	138347	282515	278351	284779	281443	475344	466336	285932	285876	317358	317643	360958	300309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.9075@0.83947486	420690	429621	439216	450123	324391	320057	476341	470251	438684	432171	335086	328275	359844	355026	394699	393773	431152	429929	392198	398249	306727	296684	497286	499685	388530	400807	391221	392983	475943	492348	92232	90399	92349	94987	83734	82639	86042	83259	113527	117524	101858	100629	74209	74425	82176	84032	107078	108293	53475	57725	108913	96596	126671	126779	55889	56602	113770	123049	248604	234585	242867	250451	365025	374551	206433	217899	219645	219328	194702	204006	352381	339449	338023	335315	270443	258238	242116	153592	147284	155658	223737	244920	256512	285817	195930	188295	358256	366229	393852	423452	416777	437159	493678	503907	528043	529811	501253	491390	312430	306609	493017	491844	385383	371030	364681	369037	233570	231393	366297	354912	311650	318079	494608	396286	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 N2 O5	269583	275387	874437	887180	662526	641675	777153	773852	752143	741644	613573	647990	376179	381922	780921	787116	341747	329207	804119	811486	138424	135188	139776	144637	133222	133566	72457	75993	67779	68725	251169	261831	247885	249853	247520	261896	130048	137291	153023	151346	120687	114503	149639	146449	115152	120205	149153	154665	259704	258528	100663	108655	862734	838016	752467	753524	521792	544947	152995	167111	102370	111361	102153	95227	48427	48447	56059	58924	88146	86556	96720	87693	178074	165083	196634	188145	104495	102088	91813	86621	93614	98992	118039	116624	297047	302122	218742	200818	453369	463739	93737	92886	149912	180635	543539	550664	304347	311004	177132	179611	441309	436669	90007	102116	253402	235532	94754	92803	78792	79181	79215	81457	112839	106176	212564	221162	178292	173973	157014	161704	68678	67276	66805	65548	93943	96176	96019	101105	162071	161560	159567	156263	94589	96933	102361	97532	97045	91767	187119	194973	232854	229836	461599	460987	428246	435876	217782	211094	512997	494824	408652	426763	514008	503511	267549	263598	528680	511512	644503	652321	226858	235372	33785	36718	144245	135718	123766	120500	117527	112937	51276	47004	65164	65423	104224	105445	71820	71938	115166	123489	131860	135963	167797	178922	380895	372439	412714	423264	234343	234015	201924	189538	452123	451040	440100	440114	170754	170233	556378	549586	522956	532196	452134	450437	499297	484192	140431	138320	188705	182388
293.8986@0.8779818	260164	261818	238626	250830	304777	304393	215350	262327	263180	307486	256682	305981	227433	281683	219356	214937	284417	312031	267742	279641	283062	294253	222880	230486	317202	296025	294386	266943	233562	263109	324879	334672	382995	384688	392042	378300	392509	372274	253166	272660	374761	366900	270813	293837	169701	166206	227314	243201	327499	323498	180142	195071	273631	268706	452224	459581	378459	397647	293716	295752	202617	208091	182389	188752	275380	280539	300957	324950	230462	213244	165789	149910	276433	257697	373003	369089	320920	259461	159932	158212	64755	59886	141041	141371	204039	202451	91279	98791	95865	95985	119366	131637	111253	124213	136191	141180	156289	172978	309069	309294	169708	153604	251726	262257	263469	262199	368471	360822	215199	207850	281464	294709	298047	295986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.9734@0.8896284	224442	217573	214184	212332	168118	157855	219984	223328	191239	193214	158043	153276	186301	191477	206310	200480	196976	197711	178621	192533	142850	144108	243006	240100	166696	184432	197157	194948	233036	232456	78249	75633	80500	77844	70793	71644	63754	63222	88720	82673	101824	99057	73623	71878	111996	116156	100323	102187	57056	55979	63657	61766	117304	110778	21504	23235	129395	129011	319008	322750	279938	302486	357226	349747	238255	241890	235509	228837	198150	195780	454431	455676	315153	298514	251070	243860	247144	180786	248214	251472	371449	374495	370091	386972	195842	196346	435734	432903	429796	442623	446839	449746	275738	313356	510043	514551	490453	486205	312760	312439	457278	460846	408890	415451	359262	361737	182968	190204	394630	387729	352077	342876	484321	383857	169613	169512	134670	139676	166038	160523	163891	167791	103462	109226	179632	180429	175264	181694	210553	209332	164141	166408	225075	213351	200827	198189	168787	170791	186407	191934	176521	179185	189372	189283	134469	136691	149607	153003	91135	94447	158380	160149	132578	132321	209715	210122	111539	113068	203053	198179	214042	200487	121646	117601	66312	63248	61062	59975	86783	85083	41465	41204	148869	151839	66859	66230	102989	97927	65266	67541	79583	75763	46847	48052	117226	115197	202099	202538	67563	71463	121130	120374	158215	155895	67908	75253	153860	151075	66788	66140	116438	111505	64719	64877	124161	128697	125709	133869	157384	155744
Succinic anhydride	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76709	82799	66851	63572	188253	199939	35811	33023	84926	85594	83058	80978	172061	164051	54481	54627	63450	65942	28962	27061	59488	63285	274289	283664	235741	228653	97644	90671	176025	178591	506966	519953	233140	220320	101643	106439	215638	214901	202906	190183	108357	105304	278160	272778	243239	239930	155572	164944	124262	139617	70346	68158	253164	256502	162659	206134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8658	1	26643	27209	1	1	1	1	1	11069	17627	18759	12682	15648	18096	17337	42587	41549	16139	17287	29886	31147	1	1	25626	28156	10396	1	14794	18036	63906	64067	15659	15426	16202	17159	9371	12426	1	1	15762	14436	23667	23941	14734	16509
C6 H4 N O2 S3	1	1	1	1	1	1	1	1	1	1	16244	1	8968	1	1	1	1	1	1	1	1	1	1	1	1	1	10153	1	1	1	1	1	1	1	1	60367	62658	1	1	1	76066	81814	1	1	220181	92976	60932	1	121205	115764	241570	155182	56920	1	105899	1	1	49874	118387	123921	112596	140462	1	1	132000	129809	110021	104830	100351	144591	1	1	202115	468004	141347	106325	93220	82134	1	49693	1	40358	38301	49984	1	1	11058	1	79926	1	1	1	731704	121764	31678	22326	90850	34696	60689	1	1	1	1	1	1	1	1	1	1	1	77271	173598	1	94545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.9469@0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	440660	430218	367165	375640	418241	410119	409015	420130	438127	421294	382993	365558	452518	445838	290864	297014	418489	395111	408627	401408	356278	352304	301611	266175	366577	365888	325093	338257	406256	417198	362112	379772	406426	395607	341256	320091	441579	428313	389967	391138	399501	383992	376694	383426	345856	383000	390730	387953	409576	401989	348599	348391	374443	360043	418034	405548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Adenosine	375329	390392	956464	1414657	95690	103740	162853	846555	715876	728348	31758	447457	63138	628811	51075	51783	189867	496612	89042	80766	13362	28385	112658	128392	121751	142129	48015	40738	87606	130064	19257	9330	100738	9597	53382	48287	59491	64700	41487	69048	88597	7941	57012	56193	80561	70599	51593	80437	21644	45143	25289	15128	90573	8714	1	1	12100	10735	18460	23493	78709	121157	170251	127482	34184	88273	87092	44740	151204	148378	501392	525305	19011	13707	91591	88396	16449	23519	103245	107086	402968	479540	188104	205442	113074	114028	199272	206045	96273	97040	252164	264443	1	146585	349467	349262	214996	215813	47896	49611	104621	115892	119133	124727	140473	145438	91911	89247	58069	56328	37137	37006	241720	182530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.3856@12.1352625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38538	1	10050	1	1	1	20717	1	63098	11889	1	1	1	1	1	1	37838	20326	587572	190141	52586	13350	10544	1	1	1	1	1	28886	13760	1	1	64508	10249	53789	1	1	1	69562	41654	1	1	133846	15163	1	1	33329	14725	1	1	56159	1	23875	19553	30488	31129	40508	39943	25531	31439	1	1	25469	19464	36294	49814	40505	27912	12180	31062	50395	66039	19171	38578	15858	1	61575	46815	106390	82489	60690	52427	1	10557	42695	52199	1	1	31515	51482	17041	17736	82091	112256	1	1	74012	57664	60839	65931	1	1	20240	24768	18791	17789	27613	1	1	1	14502	1	90167	69882	1	1	1	1	20019	12699	1	1	1	1	13524	1	10608	1	1	1	1	1	1	1	17916	1	1	1	82609	1	1	1	21810	1	46263	73880	13955	1
C6 H4 N O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162085	161379	170507	173639	314748	323196	135613	132436	148042	144530	119574	126977	340364	336838	223663	214527	150044	146487	143737	84273	100472	104347	205923	234374	207560	242242	111650	116990	389350	397888	392129	403206	403985	417062	395803	411798	494843	504810	427347	428295	184188	193568	397259	405877	260737	255918	254046	250212	126442	123084	242253	253307	211468	211288	340435	271930	59194	57315	56410	54226	82610	82577	63777	58103	37487	40067	61944	60661	62482	63563	68154	70223	57793	61465	70431	64954	66881	66407	61744	63729	63487	64143	71845	69911	58728	64230	51973	51414	57603	63681	49041	49015	64723	62155	57755	51046	103586	108236	40901	42242	127937	131920	73271	67626	46502	46934	93305	93385	78087	75091	95362	96193	44627	43270	147511	147776	89210	83945	78427	78900	87483	86864	105935	109157	66797	62507	165904	158245	215383	228491	94837	90783	183017	175383	177826	185494	78711	71562	170420	172404	80763	83378	152585	154394	45743	48160	150286	140800	200627	202292	153927	149466
C32 H48 N3 O12	22475	23758	91424	98685	75969	82290	79026	80206	78889	68408	61521	63884	28498	28162	69376	66250	20756	28283	71519	76216	13029	13863	11732	13368	18500	16258	9103	9605	6790	7238	25703	29064	30609	29059	36604	38453	16092	15530	16518	16956	13220	14126	18433	18853	11242	13419	15600	16172	34168	37218	19732	20418	141397	142051	159521	151967	83667	76397	11307	13290	7125	9189	7370	7133	1	1	1	1	1	1	1	1	35744	27552	35660	36619	14593	15461	12917	12549	9529	9573	13035	13539	43099	45428	22927	22272	66861	67825	13624	13849	75383	35437	94100	91926	57948	57027	36624	35247	88666	78555	19936	23806	50431	49769	19328	20901	13071	11861	15989	16456	502353	20884	10439	11833	9161	9755	8686	9170	1	1	1	1	1	1	1	9585	11056	12141	11887	13148	6909	1	6605	1	6943	1	14859	12975	15735	17600	32278	32778	32374	34229	16335	17362	45497	41675	31745	31657	37121	35304	17049	19285	44730	44894	46160	48462	16411	16470	1	1	27455	27775	23499	23722	19243	22607	9229	9406	1	8782	18828	17381	11759	11987	27334	25241	26438	25159	32938	33109	70285	65824	72108	70702	43977	42360	31670	31974	80293	76047	78830	86143	27535	28403	107130	111246	79839	81680	77671	82103	95757	94564	24556	26126	24368	25843
287.9192@0.8703725	654170	667619	654562	705915	711815	706751	699360	692675	764646	776535	737476	735132	623852	641224	582945	601376	719999	691221	692582	680162	687920	675077	653775	646084	753319	766067	698227	701301	692844	676455	828449	841304	827235	831105	946124	907822	886015	870620	721084	727540	909350	895332	819913	853542	481094	490535	660665	655838	857922	867644	767929	795540	676568	686334	1007030	1003054	802769	804089	621870	642117	555694	565964	611944	630999	643375	645491	682226	665752	537478	556312	516554	505934	704878	690446	690614	665112	610830	423184	309847	326604	337711	341504	394430	458091	420730	418046	484492	493601	544517	589794	588680	593639	696049	701928	701167	709526	691920	671098	631857	608177	696716	695727	646728	626386	622451	644132	591986	595881	550772	551919	601007	607059	792481	686855	636210	623915	706794	681965	662673	667791	649779	652144	889084	873393	708668	681959	620793	628310	486811	474769	649652	637906	452330	447782	478242	493142	640537	632318	530172	528180	676793	674078	585374	596329	721724	723737	682239	662796	817168	833554	684166	678523	719212	715076	422590	417416	760647	777146	530806	508625	508852	493138	563618	556764	450924	437773	850020	838294	842335	845444	1214686	1200321	657351	663019	1123396	1115418	651322	663295	834364	791635	794035	771474	885627	878195	568297	568117	439916	435553	919777	926543	521794	497642	625804	629818	725496	733928	603228	610778	787164	791958	640473	628007	495373	520935	649460	640745	456900	442467	529451	531999
450.3196@14.029973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17899	18196	14535	17131	22113	19126	20181	19040	21630	18835	20988	16542	18051	14805	26922	21618	36072	20553	29361	24493	57732	69705	149871	267389	98336	56232	70642	15973	34797	24014	19106	38987	42716	28131	52470	53207	57617	55510	107761	44250	84842	58301	107164	85951	42922	46546	88890	53956	51229	42369	83106	59556	39943	43648	465548	73837	60913	70563	56457	50641	151723	57858	47262	86454	56134	61038	47170	61072	109370	61338	175904	69057	86363	121204	110783	63236	89620	75176	113059	56233	43221	122064	81985	105186	104100	57930	40200	46033	77503	122122	48247	41026	41663	42157	46096	46331	102675	118570	96159	35605	49030	55621	51690	90690	60963	41362	123102	206450	263473	209352	214081	89589	90307	72921	76084	67036	294395	170028	90067	75758	73459	70698	132220	148837	153360	119730	129079	70565	172094	60290	151485	168910	70067	62909	106310	76301	71456	72381	89766	93958	97973	70932	295618	101297	108785	90946	79072	69936	144045	121512	87264	67619
C14 H25 N12 O	38912	39944	40395	41575	40816	38847	34727	38065	39908	37831	36363	35335	38788	34515	33212	37108	33261	38928	32609	36982	36186	37357	41876	41981	44691	43852	43730	43518	40610	43617	46422	41887	40887	40653	85616	88510	50927	50505	45837	43887	39652	43873	41197	42478	43064	46058	42896	44119	47147	42266	48640	44224	46365	40949	44920	43205	43844	42636	59432	62493	60726	59992	57954	58629	62054	59684	60145	58623	56958	54380	61725	56135	117105	118315	118289	122096	106832	110171	110005	113917	110046	108498	111160	112374	110357	110097	112545	110886	109861	110803	109784	106528	80144	124395	117797	119309	117414	122785	119727	117488	122071	115045	117822	116515	109073	113803	112457	113159	117330	119736	112806	115054	2730354	119401	42428	41166	42817	45352	43761	45771	43868	44911	39831	42846	39098	45155	41228	44635	42960	43386	43356	43111	46897	40502	42492	43716	44103	43013	45233	42428	45782	41581	44246	44718	39143	44898	40041	41514	44798	43269	39884	47940	42440	44457	31912	38081	45267	46889	44673	43249	43613	45056	42943	44787	165149	164559	159199	166901	166662	169055	163782	170506	173019	172901	165886	160312	166645	163563	110996	99376	91160	96644	102611	106293	104013	96049	103911	103456	98438	100247	100854	105622	99535	100985	105528	94033	101973	107282	108472	106478	95530	97531	102298	101992	107162	103368	101512	99632	106494	107168
Larixinic Acid	143914	50665	94752	74669	38966	42829	71267	66094	52741	91942	51394	45106	77963	63857	34435	110877	939253	81105	40005	81670	34095	43555	28381	52849	93612	98399	68717	79971	65754	36527	63368	51475	66884	54818	81816	91195	46383	54924	112986	84558	69710	67630	52166	66301	45412	46469	122902	138749	23520	47987	126822	112543	183022	188371	61767	59965	110078	106214	44876	40701	52870	69267	37012	50898	35812	29111	33789	29374	30644	58035	28546	37962	47143	50037	40061	31872	43301	36802	48067	57305	92084	43441	47448	60551	37809	36667	1	1	1	1	1	1	1	58374	1	1	49021	38016	53253	59364	23920	40802	60333	50458	73807	56917	30645	31289	71799	62555	50800	31489	80218	94611	56698	52398	32611	32393	59180	53184	29778	29046	31986	38100	52066	48118	34429	34682	21208	30321	29801	35610	41337	54869	65707	54618	71066	68209	38009	37443	35786	33804	41252	38429	55292	47878	29544	23027	35509	35471	28484	25585	52762	47196	43625	37181	27699	28048	48189	46861	29464	35738	42616	31582	20336	26384	27474	22723	36994	62769	33579	35269	48603	64133	16359	46431	88668	89056	29881	34322	18836	28623	27939	17801	66951	64157	106358	116764	51254	45236	36539	37782	37678	35749	34337	34974	48328	48742	21011	26258	54704	62714	28111	27811	49103	51889	40680	60280	51488	55406
378.0799@1.2989999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100014	292209	431618	424594	287903	223079	278722	239696	144815	120962	92995	76409	76660	72813	34999	31758	1	1	12172	9077	9246	8156	1	1	11116	10684	1	1	1	1	7691	6218	1	6947	1	1	12863	9819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Valine	19189	24369	21969	30402	15328	16510	21975	19029	21253	24018	12011	12017	12288	11522	18089	15612	18568	15536	14452	11557	12726	13723	23799	31717	34073	53678	31719	31525	46025	47940	62908	52884	72410	65583	46963	40171	30595	22146	56018	54546	36171	41252	37151	36904	68250	67438	89175	109314	29711	44064	15802	14640	88105	80490	16426	17619	90496	96637	20939	16103	16515	15386	48118	47771	12761	14710	13317	12158	10944	16217	44339	43804	38495	27774	54248	50577	33322	34382	92665	144775	136251	106522	72886	96059	33408	36118	119832	138913	101520	132724	131399	115638	60852	67742	259605	262388	177231	171923	124130	127034	243922	224874	94739	104698	160750	160145	56468	56140	101283	110474	104743	101245	182451	202580	27860	29688	49132	47917	37340	41576	158998	149991	31945	27188	43729	43387	73773	72110	39669	38053	46250	44854	52118	50288	48608	46433	48443	48907	119901	111883	51784	49489	123290	121209	30045	28957	46918	45139	43960	42611	36260	37725	45499	44383	42693	45309	30402	33299	57002	53070	42495	41121	59686	56468	65964	62716	87297	83780	57040	60738	57755	56543	236931	239484	104394	106647	101405	104125	60667	59718	144375	145220	46106	41530	173644	180736	344064	347011	116739	114723	195105	197735	313185	329442	58243	56055	259774	264161	74859	72888	137267	135377	66785	65692	163972	173998	212876	214603	220760	224869
D-Tryptophan	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50976	50692	44400	44332	147268	145611	32553	35121	31515	28469	32237	29173	170726	170036	33679	28625	45857	43378	37408	36148	79276	82648	134521	131458	111432	110552	27082	30404	257049	257721	182441	174507	152714	150935	37993	45080	213436	213239	181991	180966	64921	64878	206740	197610	60979	67033	86112	86437	37635	34361	66232	66672	90918	88159	131781	115419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Maleic acid	53570	57296	77521	70147	36555	37071	19543	22466	58348	53350	29763	31369	31383	31777	27537	29909	36708	38035	32657	32247	40515	42703	29716	31332	18197	18689	46840	48566	28352	30366	1	1	1	1	15436	18627	1	1	15158	15953	1	1	1	1	1	1	11856	9830	1	1	1	1	19744	15956	1	1	10434	9598	51771	58996	48632	43979	157325	154257	22047	23453	54389	58490	54843	53821	136748	138604	45373	45139	47091	45345	21830	22326	48719	46338	250018	256203	199142	197301	72003	63773	168886	180149	503555	510902	192022	184319	72773	91029	191150	190908	187927	193909	99269	95662	259180	260642	218672	207464	143386	147415	115925	115619	60813	61830	233077	224974	137430	173970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7409	1	34257	31821	1	1	1	1	12340	9079	24043	21811	16946	19449	17605	19753	47435	47988	19090	21240	34228	34760	1	10607	28005	28492	8921	9341	22536	18387	66790	68453	20281	19530	16245	17408	13576	14994	1	1	14352	16503	24358	22079	19813	20178
669.3866@12.060992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35139	1	9279	1	1	1	18793	1	57393	11940	1	1	1	1	1	1	49203	46473	695533	175122	54262	16683	18406	1	1	1	1	1	23733	8744	1	1	60550	1	52818	1	20641	1	69685	32768	1	1	153282	20009	1	1	48988	16280	1	1	32908	1	27091	20712	21258	37074	30235	46688	17877	34434	1	1	56179	15602	18970	54034	73383	59939	34054	33244	44297	108436	21003	23919	10147	12244	46087	43960	80711	50836	72967	42247	10333	11337	49724	59022	1	1	39815	44746	21974	18642	124275	107133	1	1	48946	71567	82267	72275	1	17122	14511	21621	16788	13612	29320	25377	1	1	15595	1	72262	118111	18182	1	1	1	17203	9257	1	1	10055	1	38456	1	9645	1	9779	1	1	1	8744	10501	17352	1	1	1	154667	1	1	1	17436	1	42027	81377	12559	1
979.9848@9.582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35331	53013	1	1	1	160100	549371	22349	1	1	1	1	1	1	1	209057	19619	24085	165452	29266	1	221586	1	1	1	1	64125	32925	1	1	1	1	148509	33764	1	1	112910	19530	362871	107179	1	1	350565	1	1	1	1	46856	1	1	1	1	8273	172920	1	18886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H3 Cl N4 O2 S3	410537	391984	407210	417576	341203	320746	412567	425656	412395	392767	354907	346123	359293	365572	362105	369737	390492	395161	385592	377055	321459	318503	451052	464355	376684	390612	379469	385752	452434	463608	122502	126714	124348	126682	114859	110559	119745	111853	153609	151154	132915	135558	113692	110586	124562	121941	143832	144739	90335	88695	127272	118002	172141	160388	80306	78665	154958	155297	231225	233838	241148	242697	315342	305460	210597	203672	216205	221397	190260	188022	255291	250802	328745	310910	241886	254506	214653	123513	117952	138909	172481	194488	208533	239160	171807	177375	244678	247874	304718	319889	322350	325840	437603	443421	406419	402668	402527	397746	293945	298120	425270	411211	343887	342790	330604	335168	216204	216374	326043	336740	293079	295370	465684	355824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.9323@0.8773606	391756	397545	352569	346345	544874	543671	355069	347109	467621	450011	555435	552372	421817	431752	324398	329170	397245	414235	410699	410107	519976	536593	260588	257854	503893	510327	458343	460635	304828	314921	840225	851705	881575	859413	965214	932929	936442	939662	724564	753624	932973	900115	829360	848473	572131	566318	686086	681808	878769	876352	616213	637214	708238	698253	1038141	1049166	829565	854604	475039	462175	366444	365526	211918	209373	524983	528021	528674	536698	430656	417196	115548	113423	406073	396496	514508	494850	478402	392958	216569	228877	49964	53973	127356	131260	316933	327172	73226	77008	87814	84400	95549	101113	167927	183001	110022	109038	138640	134805	408338	399665	160357	155896	294898	300906	305741	288797	469075	456209	245558	255268	370977	356540	327235	336206	443546	423501	491249	486274	461453	468050	464319	451997	596512	577440	484447	478773	426794	436629	336846	331294	477914	455778	331380	326818	358251	359327	463408	445772	379043	376236	483853	488277	405843	414179	508582	492444	467318	469083	556598	577073	490226	478849	497837	498080	282811	290000	497605	514807	384439	389738	360944	356536	386336	386244	301681	281907	495142	500993	482316	494633	743236	709058	419180	426980	662579	657872	416248	426198	503206	492054	485097	471061	524603	524046	365273	379017	309776	297568	566172	568409	335312	322740	423751	427857	442712	454679	397774	398022	481765	492337	417805	408087	330375	338292	417576	410394	297966	293695	347509	334752
677.3293@0.98199946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80544	76111	94156	97696	246245	241539	56738	56639	66062	68104	46265	47765	418827	423226	24969	22818	32708	36136	52588	51522	107101	107644	293226	283200	238375	248046	50157	51813	383606	382385	318134	324208	330984	326001	39864	47161	332188	332030	280170	289595	41487	37079	203910	210592	102175	105084	102407	106372	18649	18763	81579	79677	73513	70833	120366	118578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H55 N8 O8	8262	8879	10529	9163	12223	8955	7760	9554	10037	9699	8247	9574	1	1	8148	7013	1	8367	1	7273	9128	7318	9465	9913	11253	11102	12409	11481	9614	11449	10354	9648	10806	10204	13145	13636	11668	10726	10466	11772	10396	10190	10974	10536	9315	9752	9972	10157	11440	13697	15586	14180	14885	11846	12852	14312	11816	11277	8359	9616	8024	7827	9029	9336	10046	9210	10388	9428	10262	8536	7484	8082	16815	15643	16690	17438	14690	16412	15711	15340	14243	16006	16583	15175	16763	15372	14010	14219	15057	15948	15259	16649	10671	14637	14164	13502	18608	17734	18449	19507	20345	15738	18145	16731	18343	17492	18732	20915	17013	17895	18442	17888	481523	24056	8135	8713	7397	8191	1	7906	7969	8949	9581	9490	8816	7785	8145	8708	9268	9234	8944	1	7589	8118	6736	7773	7754	8323	7729	1	1	7486	6993	7523	7751	8324	1	6947	7665	7871	8206	7569	8189	7841	7028	7093	7916	8651	7679	1	7583	7256	1	1	42193	45498	42170	40023	40524	40452	35370	40892	19828	22315	37989	37906	45491	41852	38544	32433	32326	30337	31687	29867	27761	26164	25290	24289	28210	28336	25553	26727	27060	24490	28064	26315	24785	26231	29505	27352	20167	19209	22662	24495	28507	26647	26915	26692	16284	19188
956.9776@1.5108852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54167	1	19887	1	43353	1	1	1	1	1	1	1	1	1	1	1	1	36486	1	1	1	56799	84180	23883	1	1	59790	1	32736	1	59201	1	19666	458355	54153	1	1	43479	1	30777	28021	1	20554	31703	36024	26916	1054047	1	24981	134278	1	1	51741	66208	37929	87460	38778	35075	28934	53585	42155	42101	59718	25547	44902	73670	60931	1	62862	1	66401	29300	91547	1	1	1	1	1	49896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25964	1	1	1	1	1	1	31155	1	1	1	1	8828	1	12599	15526	1	25228	1	1	1	6953	13804	32800	1	1	1	1	1	1	1	1	1	10293	58806	1	1	1	1	1	1	1	1	6631	1	20136	28739	12187	16739	1	22996	14078
C3 H4 N2 O3 S3	403266	398670	349334	345437	558791	545006	322467	338256	436568	441061	568077	575773	458247	452786	359041	345456	388278	402453	419123	434565	576522	596345	259645	259890	510600	501091	469518	476305	307448	315498	995542	1017029	924049	939597	1099160	1100034	1059162	1056935	871159	899932	1016335	1004100	1041529	1075268	692224	682267	780037	784338	1189754	1124833	1315360	1355567	938417	932652	1388067	1312251	917997	910368	344082	335545	266866	273023	128408	117192	424523	427742	418762	411362	369997	370295	51099	54532	392874	387826	454487	431935	379799	291602	147207	147612	13613	17418	72868	66756	291441	295665	24866	25647	32049	36693	43650	47815	132083	150096	39379	40485	65476	63574	321235	309285	77782	74163	217203	207233	195475	190354	441160	432312	171283	167157	262463	257450	204109	213736	651211	628844	717199	723835	561336	578027	605349	610744	886837	866472	672204	651662	629008	622702	514234	508156	627037	643707	500858	495758	518685	519020	607527	605963	538328	540419	615116	621636	593283	598555	709985	688423	688575	686582	798174	784727	649598	615127	714644	733607	403342	419111	751673	756178	404807	415649	495373	462328	620408	621955	439139	424402	869830	877366	878495	873509	1293443	1271175	589426	603650	1018425	1028242	748703	769520	985443	985192	886921	864382	1102415	1069561	656077	662839	425613	433332	1020689	1043866	559288	550108	578934	565636	939993	943697	603552	602442	976482	955903	720185	713088	742299	747636	718164	716491	510287	514951	563358	574068
a,b-dihydroxy-isobutyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	875111	676572	882189	294141	1386579	598416	3557550	1	624412	3943083	821029	1077432	441272	421759	1584888	1182652	1160822	1367583	1127965	93714	344346	866833	328501	522287	196428	264256	649653	316042	410469	416184	961338	658844	247065	284651	1	282094	140780	226220	1067415	104767	280953	51918	256412	217015	76003	266237	217780	1	1	273497	180639	255497	517373	916341	2041299	524908	89725	128540	119690	4151	271418	276682	212996	39372	5415	173661	101039	29372	273182	3629	83551	47678	296927	108658	2328012	93211	232765	370818	130251	9738	199141	45535	210713	161986	236591	101270	61482	218580	676121	198335	469128	160545	185397	197333	212403	666006	332135	400772	208140	259045	262667	234353	231919	3159	163921	296755	421134	443395	295244	324996	32008	721945	46877	51535	244343	117512	542858	1024753	421460	327786	542312	16494	614658	37539	507475	301754	199446	203683	592922	323570	440452	18775	184979	222272	195548	319930	362930	435260	682866	214213	595163	360133	171556	54165	447401	502326	187159	216056	216624	222258	209712	124820
C12 H9 N3 O14	39222	34702	38297	40834	18383	19459	40883	38472	36014	36808	19072	18699	28975	28548	28193	27614	31669	34924	27161	29874	13579	14305	51919	55617	29206	27114	25008	25719	41120	45746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14496	16492	149498	150852	159912	158873	396227	392591	104846	105413	98850	98372	43434	43569	369374	371894	86957	89199	60793	63282	107440	77392	132654	135360	313061	332233	269529	289668	37787	43376	362349	355538	359570	367222	317868	327254	153308	153739	423818	413621	360107	361430	103108	107257	327400	326613	193527	188359	160110	166779	26403	26499	153674	158312	147870	140725	175056	192957	13956	13927	11537	8627	22009	24291	15864	15422	1	1	15352	15582	15053	16084	19569	15625	13409	11453	19026	20153	14507	17995	13796	17281	13822	13363	16876	16881	12744	14319	9989	9536	10321	10436	1	1	14253	14580	6733	9726	30005	33458	1	1	47702	46236	18914	19216	1	1	1	1	1	1	1	1	1	1	12965	14073	1	1	1	1	1	1	1	1	1	1	13392	13520	30394	33384	1	1	11587	10655	19223	19178	1	1	17214	18071	1	1	10481	12923	1	1	10572	10846	17006	19898	13904	12380
698.3658@12.026019	134520	91644	17584	14689	15175	11880	1	1	24914	14199	40848	47097	149712	71606	163563	83636	306636	71228	113385	47680	75083	52534	1	1	8965	1	1	1	1	1	18312	14831	20913	14989	1	1	19154	29719	97963	85153	23351	22438	25708	29398	60125	60158	208185	75027	14190	9079	1	1	213405	52810	10438	1	91373	96743	10429	1	13797	12797	34304	1	27329	19556	1	1	29961	1	30587	1	17625	1	1	1	1	1	139625	101537	530602	150593	61128	17339	24761	1	1	1	1	1	20256	1	1	1	78389	1	60149	1	38372	9184	81638	38134	1	1	365878	44204	1	1	100599	37715	1	1	92301	13200	17878	35439	29235	39879	57756	56954	34074	32373	1	1	48295	55765	50651	54803	58794	60002	28209	27882	56734	70529	18795	14628	19113	1	54261	43064	82657	87574	64294	57409	1	1	52310	53167	1	1	35165	40052	34681	24790	203764	164245	14248	1	95903	99144	77802	78525	10723	1	85871	102940	92885	62494	204830	117298	69540	34846	67614	15893	366607	295064	49897	17650	23175	19860	61708	37934	25871	22306	52396	13463	60189	20188	42967	33682	35619	26052	19765	11120	41240	43061	66501	10692	26953	27173	365212	25517	26561	18303	70174	28607	133859	221756	50479	22552
269.8084@0.8722941	269722	264882	269571	279127	384249	384900	247784	246796	275308	289085	355653	353127	330160	335046	294377	307023	268824	266927	300856	303940	383305	377812	217462	210644	329761	340653	337490	331984	243052	247567	666702	647073	637489	647139	684632	670704	691572	681497	642689	659119	622695	624272	694378	705006	649507	656277	647149	665854	715478	724428	426130	431995	623157	625198	785694	797183	595697	616736	210743	227537	263777	273855	90428	92731	350631	354199	351392	356153	400380	410877	44023	44901	233743	225275	408573	396457	323680	294817	220054	226861	72516	67810	95832	98229	361948	370733	27906	25006	40459	45165	49254	49894	142977	129159	51639	54713	86192	82387	364815	363416	119596	122294	246391	242126	263781	260098	511979	509496	268211	277376	314151	307754	256662	280923	545057	527009	604195	610103	354712	354406	538514	555613	660012	663124	542231	537495	548886	549269	547089	529476	559203	555028	531878	541331	566958	576850	597161	577253	559576	559864	546806	555201	575824	589064	631518	638186	598747	582830	708046	712632	605434	598721	653111	666685	345951	330926	717701	708416	318653	309139	555102	575121	694365	704709	332546	338981	387041	383953	317224	324515	631009	632219	279009	269519	388867	404125	598034	597876	429174	425207	373751	379027	447751	442204	328432	320095	241165	235840	403512	412278	313723	303057	299541	289191	421010	417822	269453	263176	412869	420876	336416	328016	779734	797577	347228	341375	290268	288597	316227	313682
Dehydrojuvabione	26601	47503	1	1	1	1	1	1	1	1	1	21165	62576	21448	59094	48127	66172	1	1	1	20755	18173	1	1	1	1	1	1	1	1	48712	50950	50690	53884	48605	46569	53257	53353	51318	33049	69949	69643	50263	36820	53165	53947	64264	57536	1	1	26033	27040	84459	66163	1	1	74488	71022	26815	26183	42430	35773	22837	17304	36923	35945	14389	13766	22888	23423	27484	23451	40570	41433	34866	34949	35396	33854	70914	76413	130642	60831	47352	43591	36189	36261	17138	17434	23314	19509	19297	21654	32171	41664	28669	10289	47628	42865	65040	68618	41394	40591	50447	48424	69157	54100	22817	22622	70548	64489	37946	40764	467879	51540	47908	51841	56486	55528	85168	92190	41453	45784	34751	38945	40954	39269	45556	44078	44157	42405	42197	43717	45336	47446	50409	48125	51424	49372	30899	32305	31896	32047	12085	31044	43894	42643	38867	40236	31138	28129	51520	54261	38276	36916	125300	118823	33640	33510	83705	75500	36101	36903	49562	45242	32004	41821	38852	42103	56401	58825	48435	48731	51589	45505	81653	71819	107707	96249	32730	31101	35946	35710	44111	39594	24691	50450	65105	63332	54810	60119	27254	46788	43987	36620	22316	23114	25011	24282	44199	39783	88789	23493	51651	20922	51609	43119	46373	40999	25745	23692
(R)-Malate nullnullnull 1.0865304	3401978	3500797	3872293	3989815	1400683	1368575	4216531	4178191	3799350	3964410	1587621	1609722	2248082	2266424	2306469	2212606	5940541	5702311	2972779	2829189	1431950	1426666	5498854	5562385	2111386	2191925	2618981	2613227	7074308	7208140	264692	260012	252700	248589	125344	115703	157106	157280	204151	202059	225179	240082	91791	89019	151255	154814	230762	242791	55100	53127	57542	53614	366141	368210	40377	187567	260969	286813	429076	426863	467443	459203	986813	968633	349261	339571	325889	320949	381006	404421	2449189	2461462	342430	329750	339141	331650	358435	357565	409857	402666	787055	726562	788897	773632	293461	301503	2635261	2621211	906258	898018	992010	1066816	288707	375925	1130628	1142933	891826	824871	422677	440839	818170	849472	522573	511077	751175	729547	276962	280241	703276	695939	371280	352324	473389	690013	134978	137326	78577	74752	34224	155739	55833	47702	141054	143007	38040	41229	68117	71180	40242	39819	147035	146548	27023	137880	32986	33103	167437	41945	31837	149702	65813	67449	36575	39940	150991	157273	72002	69165	72413	72598	52146	175779	66913	68944	30197	32210	35756	38981	79257	75924	24164	26708	60183	59012	166371	167339	224630	230450	225468	227720	162109	158514	375939	387646	301498	299665	334758	340807	182342	168346	341240	329964	122935	125559	522651	519234	516598	531878	251753	253915	523865	519767	446936	436632	166536	171742	422892	418188	152010	159415	451937	430598	188689	190912	376757	385046	791056	780520	419468	422609
60.0165@0.93000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	367996	792900	739438	724561	404674	414381	804964	789552	822230	804025	793934	815902	403226	427232	834943	762057	889812	895624	808246	559390	426574	404762	292380	284783	359181	374085	755235	745812	300147	309717	319082	315053	358583	374416	364153	340772	445406	437271	792766	481469	894285	873016	404863	411850	859337	910564	904583	889579	960751	976807	833495	840314	889025	853918	988092	943363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
402.9534@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24884	22402	20763	14192	31603	29438	13296	11739	13844	12878	21411	24959	65521	60197	26116	21165	28178	26986	20350	1	8761	12087	39673	42049	33418	39036	23772	22174	61713	54568	47754	43993	55009	47074	16865	20204	48733	53222	44567	51735	19971	20868	36888	38034	27242	28035	27948	28381	27216	28499	23714	34172	30883	30257	34231	29082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.3183@12.406918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20448	1	1	1	51986	9149	11317	1	1	1	14341	1	25135	1	1	1	1	1	1	1	59198	42348	368493	97793	32849	10181	10448	1	1	1	1	1	23016	10671	1	1	44555	1	33841	1	17199	1	86836	43515	1	1	118572	14615	1	1	49953	19044	1	12563	60858	1	23235	44819	39223	12299	28589	30940	12648	28117	1	1	20772	20286	13958	17105	25568	25547	23179	13404	33907	36052	34374	30730	34013	16270	20780	21692	39700	36845	24368	27973	12337	9857	18264	19505	1	1	14477	15613	16880	20451	115575	93739	15087	1	34020	34942	31382	38920	11921	12374	50014	64736	57897	118593	74300	47333	28333	24708	30173	19838	293601	202194	23102	12521	16540	9838	75953	76180	21760	16869	35991	12846	35546	26753	23667	19396	34084	21190	18427	1	35385	17870	32774	1	17199	44291	290756	48541	16265	1	45068	16781	146479	262653	26295	18141
Pantothenic Acid	170710	161738	253248	251025	148293	147095	192715	194762	305589	299019	153770	146845	204380	199863	158813	168575	239332	238610	155674	152142	118805	127041	261214	276085	159656	163242	202632	209825	236295	241813	70918	67357	62061	66576	50289	54048	78182	77936	83423	79892	81980	77431	40139	37168	54637	53469	64017	69104	28452	29522	18584	22209	92566	92522	15524	17144	97882	91708	104776	101563	144562	144723	281102	276318	82340	80623	88519	92743	37861	39321	374284	379891	55884	48600	67379	68505	75775	77924	106544	108049	254093	264914	261090	264288	58474	59081	434733	425989	309118	329186	337233	335752	68273	79182	318059	320215	318889	321563	83664	84817	225141	217853	130803	135328	137886	138994	36992	36998	144709	151812	104347	110974	162413	145126	130959	133342	152209	148470	202280	206835	195611	196136	77724	85269	198368	190038	166932	164857	200686	201672	146826	145032	218520	227545	152130	154879	163101	165100	176716	174766	184138	183435	170431	178104	132186	127890	154483	156681	91491	90710	172994	173398	108446	106526	228966	236743	82632	88374	323574	321550	259169	258280	108252	108015	21474	23672	31139	31462	34941	31796	24290	24958	64955	64516	35121	32980	85428	94894	30220	27234	38901	38548	27142	25908	147661	142775	94527	86743	35678	35424	174324	162672	84682	89385	29128	25936	71389	72784	16817	20180	181859	176721	35308	35195	131537	121865	235354	240146	108899	110724
255.9333@0.84354454	405715	371515	388114	381184	386875	372324	366320	341733	359967	370190	370462	372459	399249	384452	351535	353401	381198	365203	353449	371677	352051	355052	344079	343869	346618	342037	375733	376935	343472	362428	366203	366531	358887	329942	336477	327873	351003	357463	314143	322668	339036	353504	337586	351578	387853	372006	353723	370175	410681	399354	202111	205819	368341	342557	376327	386450	344386	344034	478613	480177	414239	418421	370911	400937	435524	425490	419488	418089	421672	401409	402552	415073	264542	263529	344214	351456	367399	421803	436234	446965	382201	361758	418748	416768	392414	371133	295167	294316	303230	301816	319563	314728	214801	203275	321677	329958	330565	333481	349584	341686	332509	333964	358514	359996	358835	357393	338642	336443	357820	355790	360143	362780	302943	364146	454222	450279	441103	438703	336826	328851	448306	430765	430230	442374	441639	437150	428477	429264	453367	457579	454406	454357	461991	461590	470244	473215	460217	464720	453114	449911	440788	460115	486657	467568	457438	463699	446089	446610	465826	456045	451955	416070	455233	455006	344618	339871	457519	454517	334567	340193	449510	453901	436589	465254	233846	252609	264150	260399	253054	252489	293241	295214	288905	286635	244529	247010	341369	313416	297156	291704	238035	237035	280481	278294	238541	221199	313248	300731	267884	267602	237518	229228	302398	310156	297096	292833	263562	256169	289696	290389	248760	226516	315005	335035	265924	270582	213215	220372	280953	275978
> limit nullnullnull 1.2910002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21504	143838	43400	36411	26197	47273	60047	48872	48148	60487	54429	52369	63894	1	13599	16530	22119	24031	25758	24463	42424	12764	18648	372950	28614	23033	23670	23778	22930	30109	79845	20674	33600	34532	154934	1	14822	29211	27902	10997	19020	10338	13311	11686	14287	8779	11567	27941	14736	11573	68941	1	15603	24098	16599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H11 Cl O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	411282	396886	312259	307157	380144	369994	369411	389194	420114	400496	301817	303996	367925	365078	243429	235426	456027	447250	460823	457506	291826	300692	123558	117361	290116	315442	290206	298840	275248	271351	263951	271607	342573	342786	137187	164870	313217	316873	365659	367729	333559	330871	311716	298608	297440	305792	341269	340090	394559	401642	219366	209125	338703	341181	491149	462149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol	1	1	1	1	1	1	14284	1	1	1	1	13849	7582	1	1	1	1	8974	1	1	12678	1	1	1	1	1	11099	1	1	1	35766	37168	44074	74517	46612	46008	47899	52699	1	1	60046	65880	124081	99322	169068	80240	42396	78479	102148	90813	216325	115339	74969	67113	85591	79547	65778	45872	91756	94962	89961	107936	45815	56546	109729	121176	100468	78972	107051	77262	26441	1	187056	425752	105130	1	65661	63336	1	1	34541	34915	33156	40101	62584	54714	7089	1	53806	26757	1	19190	560573	80084	24931	19096	72645	30058	48294	57966	31526	25989	57720	58708	45115	44273	70848	55165	49685	57606	61720	141208	1	64347	111486	77923	27858	29274	61372	31250	33497	26131	58023	38525	26896	22435	62169	48269	39944	37152	41874	90770	24925	32274	94876	71363	48510	113890	31754	30198	24414	29293	32283	37161	91451	76080	88331	47249	33041	34415	38296	31681	85017	46694	72936	70998	78731	77880	38265	39702	35065	33337	38534	104670	44419	82299	50364	96485	98155	1	177351	166914	1	104216	33372	111992	99543	109742	120539	62888	1	52965	152591	48214	1	38064	79092	60515	1	128838	52111	103782	55393	42800	143169	233408	59533	60676	1	177963	48748	36375	186881	194549	122613	131488	39334	49576	52913	63288
199.057@0.9834102	1102446	1106633	1135427	1130430	983146	941846	1122634	1130781	1113750	1112370	938259	968006	998309	1001095	981213	999486	1109632	1092821	1061391	996046	840337	845191	1098974	1139200	1016773	1083391	1065368	1055182	1122822	1134874	44849	38081	54741	52256	56327	58228	43603	42129	30007	32065	51534	55119	48518	50016	68410	69448	40709	42372	32512	32507	22450	21450	52428	52610	20382	21908	59011	59608	1313008	1329462	1356403	1356091	1492000	1486263	1321900	1236168	1393029	1407308	1317898	1326711	1603727	1612181	1165466	1136821	1160547	1137740	1201404	1213245	1289727	1314275	1449412	1369821	1366802	1348672	1071886	1096736	1225162	1214768	1236301	1250166	1338291	1329270	1211151	1258804	1528062	1527559	1511997	1509171	1192705	1196979	1442698	1427336	1396214	1418100	1389117	1407910	1114688	1111765	1337526	1329683	1337150	1303968	1664657	1612194	435694	436325	400381	403688	462293	457750	530753	542300	248812	265402	555389	561516	491340	477632	591552	574337	448541	461395	599606	617034	527167	537687	485873	486894	531798	523558	601701	576570	535222	546229	398446	400120	436449	437749	299605	303938	540148	535966	339725	336357	523172	523740	291556	292883	625927	630722	667762	659455	365171	347030	242342	231304	205999	211561	182929	185367	161219	158897	374615	385943	193013	195203	306695	315848	195679	191638	236578	242133	149165	143589	297824	288456	535053	530297	240080	243629	276625	279463	418869	422860	227782	231664	353877	363675	159405	164489	292515	295162	221960	233143	270621	268617	283140	276743	344695	351318
129.9664@0.83979154	311711	294213	329630	322700	211711	205383	366185	348308	303976	311031	210118	202278	240428	227896	267807	252181	335610	326276	274176	284463	188386	194618	379328	380528	246000	244617	246019	279261	14553	337032	44277	61447	60090	56809	30277	49284	38980	33397	51867	54504	64720	46532	24959	29316	32675	34440	48217	42976	16644	16142	41682	39220	69682	56941	4938	17603	56150	52424	206537	200088	199724	201087	393584	402132	153237	155419	161526	162583	147164	148774	536830	539521	181918	175804	137072	129887	147197	152116	190720	197532	389122	395127	314089	309856	128064	135047	411042	562963	467866	478303	481979	490689	342017	352734	523687	526142	405439	425867	158438	157332	336346	360103	213889	222210	217658	213504	111044	113392	199596	211776	185747	183274	253615	238324	53074	46463	53544	87400	106892	96707	94460	60953	41187	36457	70487	96615	59309	61638	62917	63368	51424	61276	99799	65921	58992	62941	66136	78063	63795	64374	73440	93218	87142	52099	56813	66719	50610	50932	37569	37034	65163	78735	45182	53191	126698	131344	31017	40398	152009	119457	96652	78351	41762	75904	68562	81737	87407	66607	92768	88871	48498	47602	126391	138905	70411	69349	58572	62747	72282	85063	99549	102291	68430	67386	136183	144832	179067	190006	78971	94029	171325	165546	159510	156501	68002	83879	147719	156387	66274	65396	133167	134316	36828	28433	120325	115588	182144	180539	120848	136218
C19 H24 N9	11529	10819	13644	12014	11323	9899	1	11111	10962	11041	10819	1	1	1	1	8586	1	1	1	10409	1	1	9867	14035	12961	11698	14081	12436	11534	10601	14312	15002	13044	13923	13649	10860	13597	12672	11595	9934	11760	10707	13241	12581	13024	15780	10821	12148	13139	13319	13981	13134	13271	14486	14036	14404	17557	11898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23392	23892	22771	22165	19565	23582	25278	26005	28511	30210	26857	24208	23137	22035	28374	24272	23294	24258	20647	24105	17449	23975	25429	24510	27070	24904	27391	28241	27882	24534	25248	26706	28300	25256	21210	21907	23232	27901	24851	23696	364864	26863	36450	35393	36035	33229	34129	39636	37244	35463	32872	34412	34765	36204	36695	37815	33711	33397	30996	32368	31570	36901	32445	35041	35754	35471	32094	32660	29887	30324	35114	31815	32236	31734	31184	34028	30130	30809	25374	31607	30197	33514	31741	33925	34146	30061	34559	36248	33903	35560	30759	32262	29239	26240	31004	33096	29416	28200	33558	32431	31113	32028	28680	33082	31899	34598	25999	22613	17859	22121	24330	28076	27815	26044	32870	29703	27683	24345	29323	27388	25934	26318	29094	27683	23716	27627	26935	25610	24134	24975	27672	28254	25654	30046	31564	32972	24980	26658
673.8664@0.83726764	306541	305790	307937	301667	311868	315410	290432	285713	299829	302825	313674	312193	309330	311531	317474	319647	277064	282285	301459	303889	307317	310340	271836	275847	319812	328408	318175	312377	281346	294597	156101	158152	162230	172778	150407	150555	152631	153140	202839	197407	175459	167124	140373	141821	153245	154019	190703	193164	105365	109455	196167	189385	230842	229745	108663	103042	216386	205937	159832	156036	172912	165747	127330	124228	169689	165790	174859	167401	153246	152424	73494	75124	337271	337548	282339	280366	195091	71172	51488	66121	51962	63429	87654	99824	148352	163027	68210	70057	98252	104878	107716	112748	267730	268055	147879	144409	190834	184407	309498	309816	226469	225273	303570	296176	300428	288808	255938	241639	299235	296114	288503	292576	420600	326060	130068	130386	124448	121295	172929	172040	132515	134253	101621	101432	137799	137259	135210	139640	143961	145474	134764	130107	147683	145328	139533	137697	134495	141577	142036	137901	147577	149204	130137	129015	110915	107097	125716	127918	100780	100587	132964	134878	115420	114815	181863	180092	92499	93803	190975	198439	148430	134276	91884	100600	199840	198819	182182	184189	195994	200749	120879	119137	238563	238869	198735	194280	167045	175088	207320	199089	229422	233028	168230	164141	276235	271937	272562	275665	221412	216415	280774	280540	265064	272927	188980	184353	278390	273266	191410	196085	273145	272994	133514	132559	263760	271775	302884	297250	268452	266012
C5 H11 N6 O nullnullnull 3.3399978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	442894	458570	470864	485242	471497	439605	499902	510061	521930	557909	508987	517017	428455	443592	781006	579795	898213	949749	729691	791840	1024459	1178577	1067924	1092758	1084399	923692	946343	825228	603554	627201	777667	782741	833196	836864	1	693476	1570228	1587980	1554183	1599670	1741161	1678259	1680857	1606275	1717447	1755229	1729565	1757488	1753824	1758253	1833024	1879314	1792735	1791514	2324639	2034655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Bispyribac	121946	128745	129618	138129	104869	101599	112825	111157	182236	183768	65315	66947	75413	75982	95596	89720	40588	56116	129179	130198	85561	87542	209423	218602	123775	133434	178949	174356	155483	156003	1	1	1	1	11098	11241	1	1	12065	12133	1	1	1	1	1	1	1	1	1	1	1	1	14731	14630	1	1	5883	6957	24278	23377	50111	46291	264561	250181	9485	10737	15900	13583	35627	36925	32167	33482	13864	11464	42978	42343	1	1	19439	26122	175656	176781	209850	217221	25628	24268	101654	103965	123482	122615	70065	72569	18903	44371	125720	131115	156182	150229	17297	17260	378145	363168	50376	56995	57435	53695	50840	50521	35030	38278	54318	54407	8765	94182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7651	6984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42111	43356	41728	41465	1	1	1	1	11931	11620	49135	48273	63407	64174	70949	69870	89683	86427	43319	43586	30000	30496	110911	111501	71329	71710	54479	53518	132650	128544	72324	66760	131052	133617	65225	67378	16187	20451	1	1	15441	15557	98081	97714	22857	21709
C18 H30 O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	123477	122946	123248	123212	134451	105779	121989	118621	119224	119235	118484	120472	111525	116874	143484	133535	68102	38968	38757	42109	68834	60870	98399	48277	97588	77781	56474	62246	37727	34261	29268	36937	43105	37777	36194	39000	63061	41476	51500	43584	74821	69157	50968	26365	46615	45366	48729	39608	59552	60013	60701	59694	43756	47568	564925	50164	73391	74124	100586	89157	84202	102151	77037	83578	69978	71871	71248	66474	87303	81406	105348	85357	69371	60959	83106	77611	88642	95975	74973	74339	64881	79553	59172	69364	85768	79477	80999	69722	128129	103731	86780	74417	59886	71984	90932	87410	108379	79922	172551	155988	75886	82606	57997	77643	93763	90143	361598	372149	229833	384970	411514	413088	404539	382559	408328	386785	378793	258660	386698	345769	357168	369738	355310	377848	249727	339083	393248	428852	317058	416330	387108	398518	359519	338143	348375	231468	339058	390761	408555	376615	386028	347955	363199	405519	380968	421948	369498	387185	437367	381259	427405	357725
643.3705@11.913011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35591	1	1	1	1	1	28413	1	62839	1	1	1	1	1	1	1	53974	62441	833291	231129	59202	24541	16988	1	1	1	1	1	24836	1	1	1	87331	1	67974	1	13444	1	88082	41780	1	1	163374	27964	1	1	80827	34538	1	1	54213	1	19139	26099	24148	26342	21148	27125	25943	23410	1	1	36847	45985	30803	36695	35060	34255	24840	19985	60177	36166	23691	22499	16825	1	33836	31595	57663	34677	39708	33577	1	1	36541	35502	1	1	25922	26583	25622	26281	52922	30900	1	1	23262	22624	25726	34963	17792	14144	16648	17219	17399	13287	25727	14506	17299	1	18688	1	80505	60538	12624	1	1	1	12879	10803	1	1	11561	1	17816	1	1	1	1	1	1	1	13817	12314	23056	1	1	1	84403	1	1	1	15914	1	34024	61538	14606	1
L-Leucine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16255	26919	16674	13852	80308	81952	16510	14884	17959	1	17036	15653	71713	79802	54273	34058	54185	57968	40920	43744	118879	185014	226098	204527	105339	154032	41965	40349	224269	286181	251393	257677	223412	203019	42353	82622	487198	485418	287904	294437	158194	153625	457877	416106	128691	137550	193601	199954	90833	89531	152683	160022	161924	152527	275089	274288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
neoisomenthol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162979	153334	140522	146909	154841	143777	174921	143178	143126	145831	141896	144950	124025	147417	152108	177927	164832	172341	189125	157390	152456	186145	185626	196052	215775	213230	189689	178426	173232	158050	199255	178959	175629	175251	137398	207096	222102	196448	189901	224503	242404	198413	208169	204657	189118	192539	225098	200930	222951	228732	205292	204970	226909	223091	4767429	185357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:2(11Z,14Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28650	28250	12288	11475	24049	17661	1	9144	1	1	1	1	26862	20694	16693	13126	1	1	15044	13529	38776	36674	173199	72004	32410	27597	8996	1	23353	23324	30615	30019	35795	30358	17867	15434	39584	29323	47047	33948	25263	22691	47769	37966	26889	24509	55240	22924	1	1	36339	30882	22060	22124	27874	19887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
234.1254@9.969637	11793	12895	10331	7410	13948	9779	9783	9137	17534	11396	10630	13152	17932	15080	8945	15755	15242	11376	15496	10417	18760	11359	10579	8870	10154	9035	8411	10997	8705	12057	12502	12182	12762	11823	12153	9039	11876	13101	11624	8717	9723	10663	14144	12112	8763	8749	9799	11605	8667	8795	9134	13519	8679	12532	11077	8705	13603	13850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10337	1	1	1	1	1	10728	10550	7948	8831	10358	1	1	1	1	1	1	1	1	1	1	1	1	1	11851	1	1	1	9022	1	1	8319	7421	9481	1	1	9097	1	7384	1	361677	1	9700	1	1	1	1	1	1	1	1	1	1	1	9926	1	1	1	1	1	1	1	1	1	1	9303	9585	8651	1	1	1	10032	9988	1	1	1	1	1	1	8983	1	1	1	7261	1	9286	1	1	1	1	1	1	1	1	10187	8649	8191	9972	7882	8800	1	10031	12072	8601	1	10261	8626	1	7563	7675	9375	7862	1	1	12918	8669	1	1	1	8953	8928	1	1	7691	8705	1	8896	1	8041	8911	9206	1	12220	1	9415	9780	9007	12734
587.3219@10.285269	140585	136393	95807	104815	137165	132347	113634	99478	107802	101089	127254	142512	138281	94893	171978	144690	414629	152277	177084	136210	157303	183916	175446	193662	156113	140990	85307	74963	156268	172447	8443	7297	7732	7964	28818	28491	17119	18924	132211	124738	32187	30682	1	8107	1	1	98784	100418	1	1	12570	14539	137348	115816	1	1	20563	21665	64195	64173	43047	40863	161377	144024	17920	16364	29013	30359	17021	18813	149263	129017	42343	41047	20100	16002	26634	27081	81590	77719	453926	283184	187191	166221	27680	24533	259925	275174	262356	248428	224391	205106	50209	49558	254006	227126	231632	207053	70699	66562	252842	210575	71551	69837	118850	75113	17862	19127	118837	115106	89230	79739	93832	87235	1	1	1	1	13813	11447	9082	8644	1	1	1	1	1	7557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10131	9052	1	1	60815	59665	1	1	12060	14158	1	1	10775	11118	124981	126147	129898	118924	10371	8838	1	1	119517	113940	239350	208315	147625	141901	136219	133352	204222	181711	96892	94805	251443	238361	70531	64103	123968	121999	191010	189949	139600	140479	145541	148128	176618	155667	139398	138901	320909	177807	1	1	239082	210628	391859	483459	199760	192801
C6 H4 N O2 S3 null 1.3603094	1	1	1	27590	1	1	1	1	1	1	90655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	190154	104168	1	1	240273	230841	1	1	1	182399	232536	1	270317	1	1	1	1	133512	198021	159015	86117	1	254017	790435	169343	192208	80966	81475	256150	277070	1	58159	136862	140325	288127	289052	129078	154091	22704	24170	561053	940137	197124	166529	167901	155883	1	77359	1	167471	1	51884	1	1	1	1	1	1	1	1	1966006	287330	1	1	82625	1	105399	158279	1	1	116966	1	124384	453932	225906	1	241993	1	171858	352347	415441	367709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.4157@11.270382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10549	1	14409	14387	16564	1	11028	8381	1	1	22518	17011	50133	16284	10565	9759	13759	9662	1	1	48038	41539	583823	141037	54934	30343	35557	28192	1	1	1	1	23840	16368	1	1	34234	14986	53696	1	17381	11621	56961	38782	14913	13424	83240	19755	9255	8116	45297	24092	15798	14823	31511	15956	1	1	12723	10642	1	1	1	1	1	1	1	1	14494	1	14369	11898	1	1	18662	22837	15872	10900	1	1	1	1	1	1	1	1	1	1	1	16475	1	1	15414	14031	1	1	13593	8772	1	1	1	1	1	1	1	1	1	12680	1	1	1	1	1	1	8368	1	29486	24042	1	1	1	1	1	1	1	1	8527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31734	1	1	1	1	1	1	13785	1	1
8Z-Tetradecen-1-ol	440282	416245	98061	281523	54523	65943	284753	132814	330357	328307	173104	331615	235585	97343	542197	305408	533205	62805	61832	132245	62250	1	139745	303506	52132	116042	416557	405896	132704	18652	270943	341877	295427	102211	1	380852	1	143675	389586	135553	1	45603	1	289649	260400	222731	402528	147790	163100	1	379383	274890	185282	183595	474839	420765	273188	430633	161025	192622	98751	24053	217685	193660	192013	69393	70470	145233	144140	92813	61604	196113	185554	216612	115117	146838	75861	204604	207306	214563	126231	42154	243999	57360	34849	221021	199309	179994	157538	184758	40642	107618	161719	69250	175490	55975	51292	1	254857	103377	251588	66898	260929	113544	292864	232743	253205	40722	267795	48884	105329	257454	3304563	130668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H26 N2 O10	18962	15381	16280	16492	15636	15446	18245	16043	16509	14894	16479	15551	15560	15042	15600	14749	16494	15099	16673	15149	13895	16243	14535	18152	18537	21011	17158	19004	18615	20333	15871	19544	17822	18483	19833	19502	17952	17590	14466	18370	16997	17287	16419	16212	18310	16582	15124	20615	18241	19422	22454	20346	20089	19256	19062	18768	18883	18918	12840	13958	15787	12973	13350	14293	11989	16549	13306	12338	12607	14334	14564	14782	18440	21034	21786	20479	20615	18678	18588	17548	19203	19079	18769	19416	19521	16359	15508	17185	18724	17940	15017	17516	14698	17562	18565	17431	20385	21308	19413	18593	17396	18252	19454	17657	19146	17974	18770	18723	17831	17188	20276	20049	362789	21650	23378	23025	23492	22048	21736	24233	24276	23889	23926	21513	25603	26037	24717	23151	22838	24424	23110	22155	25593	24100	21468	25239	24957	21559	23389	24289	22974	28147	23939	21574	23742	21402	21492	25210	20955	21770	20546	22442	23066	24692	21844	25134	23691	22142	23205	18865	25068	22056	22621	24120	25519	22862	22879	20153	22303	25732	21818	23330	23284	22042	23851	22455	20577	19837	21497	21880	18887	20658	23175	21713	22507	19676	22466	20146	19274	18443	22686	20266	22079	20575	22206	19806	18717	21256	21484	19240	20344	20282	21419	22808	23117	19439	21898	20562	19422	22638
C6 H6 Cl2 N2 S2	365704	359976	372680	369930	405504	414073	345815	335054	385746	384066	384487	395466	394803	383805	8577	355413	361528	370827	363360	371718	9866	367677	318507	317693	365158	372351	354398	360947	326725	336592	457061	29337	17779	29908	473126	13697	454679	24987	18032	26375	25824	470770	18059	466939	23211	24876	26397	438784	28348	22013	21801	25110	16956	30720	501308	28558	470832	20335	327811	331198	345601	355035	239958	254271	399860	400702	403090	408245	386549	371673	158009	163681	258923	262570	364471	377124	413710	466041	397297	403285	216646	204322	250443	247626	376737	361262	108360	105788	155324	147093	157936	147463	221897	207435	158891	156994	191469	195345	342638	348357	226913	219582	285013	314020	320477	320562	376372	389543	307165	310901	348020	338834	360594	349702	442315	455158	490706	482563	398030	410741	479766	494201	492829	471871	497767	503765	497710	503157	454601	496178	476581	501456	450490	478035	467751	481547	504100	504206	477176	471498	484605	489173	494976	467211	514040	521966	483426	500456	544951	548423	513096	520681	521154	519179	382582	401111	519438	513291	444673	463242	487198	496823	519882	527756	321655	299703	319643	350810	292835	298472	449930	425903	317647	306858	331845	353739	455874	451344	337383	334540	326860	353230	374228	345934	351135	333298	297239	303147	350484	344915	336041	328882	339213	347848	328668	350350	324786	320965	334874	336508	354647	339135	485481	464388	349478	341478	348971	319629	346589	331972
707.4006@11.933003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22265	1	25628	17358	98931	1	36929	27401	1	1	48654	26569	146362	21671	1	1	1	1	1	1	89097	27011	417946	285866	119104	39161	44570	26616	1	1	1	1	66943	1	1	1	177609	1	117624	30087	25205	1	104724	97781	1	1	88809	37068	1	1	106261	65248	1	1	49859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H18 N2 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67161	69299	66285	60368	171355	170177	29540	29943	41516	37910	55742	56447	268379	258795	56737	54364	46220	46786	34661	34949	73111	70759	257600	257302	300242	309578	52789	50910	260701	263580	227303	225538	285604	274728	50934	55558	222035	220249	375410	366381	49064	49493	200923	201501	66863	67309	91969	93789	33354	32227	70247	66599	60937	63651	95309	88831	130448	133096	79474	77023	119971	116571	71616	73518	70995	69916	60314	57877	98463	101355	45203	44516	117613	120929	66687	66711	161647	158806	121258	119772	62949	64910	66433	70084	70776	75225	128678	123322	64804	70125	91403	87937	55166	52713	108950	107287	142088	138308	81974	82122	161261	156238	47895	49261	106243	107235	1	1	1	1	7303	7480	1	1	36566	35977	7161	7217	22915	22675	1	1	12678	13678	1	1	24103	23953	32737	34394	6286	6429	22448	23476	19058	17964	1	1	32924	32569	1	1	16011	15000	1	1	25075	23884	47696	42869	19559	19816
C36 H57 N10 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21618	16779	28652	24699	21683	1	21842	17369	1	1	30822	20778	61816	29366	1	1	19501	19795	15181	14958	114063	76464	360577	112021	96648	47726	49888	39464	1	1	21966	27217	42623	23493	13046	14476	71973	26012	77742	44021	44400	31696	99628	69444	31525	29552	185279	46730	13837	1	86837	52735	22713	25060	58234	23975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 9.984003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21587	23070	21700	24885	22243	23621	22176	20257	24483	20870	21672	21481	19668	21482	20459	21511	22317	20734	18012	18976	21904	24301	14890	17637	19566	19523	19521	18422	19712	18008	18534	19905	22425	20724	16351	20631	23935	20516	21966	19195	20136	22051	20214	19378	21032	19698	17223	21970	22891	23176	20252	19964	19156	20155	493491	20026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(+)-Abscisic Acid	133848	134531	77820	82584	58416	57366	79649	75260	132457	120770	68180	72742	138670	144550	199012	202926	141055	148128	110676	105590	95392	89740	79873	86591	40052	40675	52108	52227	73162	81626	21121	19498	211247	209920	143765	137706	333372	329680	314972	321984	348909	352375	174969	170374	48528	40430	327529	338687	19291	24508	22636	25258	104756	115670	54456	51698	200201	197467	17024	15833	42819	44612	16756	18907	16898	19859	1	1	19923	23085	33058	36670	37304	36497	20741	22586	23720	18615	69833	72551	151152	141985	147365	143690	49626	51836	46067	41663	55958	62322	50207	48854	35377	44431	85526	83951	129608	122386	51144	50910	111485	118133	55016	56442	64205	68131	14280	15544	115272	121837	41820	42995	115212	67981	38936	31861	24061	24968	50756	39596	27897	37435	22559	23156	26546	35273	22593	15661	35014	27451	19831	22422	34546	34422	56763	42410	38517	33664	19192	21613	19606	14573	20000	17118	24262	32884	18589	14196	12184	23180	27974	30437	24363	22970	75425	81757	19778	14675	41048	32140	22572	25900	25335	24058	17223	17502	14070	11971	19574	23347	57562	59195	33140	33277	15990	15857	65870	64737	11777	9433	20312	10280	9996	9838	38045	43871	52029	42079	27969	34776	24932	22131	12632	14200	21044	25510	25389	28304	11063	8119	41650	42678	21434	17311	13820	16371	184265	20650	25582	29756
967.0081@1.1771619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1172196	2570677	344222	1	1	1336600	595702	318100	1	2161053	2241210	989208	1578964	2129876	2576596	2429456	4250366	2501099	1	2430832	1	1	256873	1	719593	1008433	1138356	1075025	377863	980800	1204174	1	1021334	1	242119	83130	4827125	337993	467902	1434802	1496174	274675	68333	664259	1355968	1202611	923520	897393	515455	644820	1309164	1	1	1188699	1204406	1116475	1	1145531	1221983	1147954	1	1	7714684	1	1	1324570	1	1	1	1	1	1	1	7005392	1	1	1	1	6181341	1	1	6543534	6588489	1	1	1	1	1	1	1	6518571	1	2888403	100546	1	1	1895092	1011829	1	1	1	1646565	1	1899726	1	1	1914013	1	1557607	1	1293217	1741113	673248	905171	1456137	1	1	1	1435677	1435237	321797	1465468	2374569	1	1555577	1665620	1	3433484	1062459	1610980	1536844	1669968	8346442	1629102	1507807	936350	1663898	1594581
197.956@0.8755624	282212	288131	244313	255414	358588	359454	256796	253727	334845	323958	386324	383108	292931	289948	228810	226420	318268	296247	293540	283711	351743	371772	203945	201368	354193	352191	314858	302774	234130	227501	600132	599757	623598	614840	694501	684726	683224	672153	496569	512346	663119	633769	588779	601027	350509	354446	457492	458100	634017	640928	501880	507680	475122	473740	787707	781247	603499	613308	365263	345619	268641	280353	221559	234132	373008	391554	402678	403085	330921	328732	191645	171615	342728	324329	411241	399105	356345	273998	132285	157745	97334	101078	140179	148467	234920	249861	188117	186410	173415	178953	184666	186022	245307	230147	214039	210369	194802	196153	335906	323951	207706	210292	268584	271553	269083	258510	376748	368010	228797	234621	304663	294062	294469	294409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13533	13823	22355	20893	53965	30167	14335	12299	15333	11640	14404	11298	36686	20097	9560	8525	11183	10452	10699	9390	36652	31267	406540	120900	47145	25793	18443	15570	16614	16431	33052	35336	43686	31274	9610	9792	58753	24888	56153	29732	26377	16537	66437	45605	20033	17021	113237	25310	8118	7105	31011	21603	16344	18266	28250	16645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34127	30577	1	1	1	1	1	1	1	1	126371	135806	112953	93098	15592	11915	1	1	134274	89656	382425	279049	70820	51110	67622	61334	160487	108056	72480	70177	109340	73785	55748	37940	81314	76585	82346	73178	66856	54372	74032	68951	145178	79024	96423	97093	394197	65119	1	1	154735	94649	328085	505330	114203	82070
510.3386@13.472366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11919	1	1	1	37504	6829	11800	7482	12531	1	13144	1	49629	10365	1	1	6518	1	1	1	60281	46362	409751	107357	37594	9622	6777	1	1	1	1	1	42460	23451	1	1	68159	10362	74394	8266	24322	6801	61680	27673	1	1	163133	22319	1	1	40935	11301	1	1	33417	11677	8883	17853	11692	10152	19592	13067	18078	16323	1	1	15742	17637	21999	23398	39559	40516	8395	8363	44248	42070	11275	7811	14783	1	17650	19599	49312	52394	21638	21130	1	1	18070	19481	1	1	14067	28299	14461	1	65719	53715	1	1	27906	31724	27738	29026	1	1	167131	175900	160487	123709	134250	82654	70107	43377	143001	48147	610127	393513	88632	45140	44113	35670	255812	140250	72014	60680	141083	38395	107815	41938	86519	59109	97185	72961	85480	46685	71284	64270	198477	39183	75729	69442	843975	63724	31097	19594	295390	119360	726024	1009904	135690	72977
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	1.86E+07	1.86E+07	2.06E+07	2.19E+07	1.50E+07	1.50E+07	2.17E+07	2.16E+07	2.05E+07	1.94E+07	1.56E+07	1.56E+07	1.70E+07	1.68E+07	1.65E+07	1.69E+07	2.19E+07	2.12E+07	1.91E+07	1.91E+07	1.40E+07	1.43E+07	2.38E+07	2.40E+07	1.83E+07	1.86E+07	1.85E+07	1.86E+07	2.27E+07	2.29E+07	54670	55462	55685	53029	37320	34119	49854	52208	71755	71309	55363	52937	37601	35531	48985	52592	85571	88093	38433	34817	25376	25792	80973	78358	17906	21471	71023	71794	237028	220250	230330	234562	480810	464046	199710	192138	162590	159179	128312	133120	852112	845575	157296	149594	191644	184159	168868	164314	268307	277597	567404	549645	455152	459976	147964	155414	1443815	1439779	919026	957992	718660	703588	152014	165517	792685	797850	668126	660610	206749	204715	560320	570057	298742	309204	287246	289170	136291	139125	272327	268659	233564	237994	1228517	358287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-hydroxy-tridecanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100803	88834	80850	1	1	57710	1	1	1	46672	19438	79241	88183	19145	38441	108792	1	99707	55267	1	1	28110	98804	1	134828	112198	1	100550	87377	116386	106182	31320	62917	107418	63706	137226	1	93766	108390	1	104209	59231	122607	72465	1	129148	124124	56169	67343	1	96863	47838	26841	139240	1971117	117767	179379	60699	171281	1	168494	188732	1	158729	157929	64974	50274	175419	67978	146314	1	152412	166587	63945	190251	36447	69357	116193	1	1	1	111622	134252	133022	173451	1	120956	172320	162184	34317	157306	145915	71794	139804	1	83721	88986	89415	142577	1	134338	96778	1	55926	1	48252	89832	124231	173905	66858	1	53439	81757	149431	69108	152721	82313	185253	162224	71013	66016	1	151276	28696	61964	146801	21841	67811	158683	1	181403	1	1	163689	120912	23878	169323	85565	65665	47570	176567	1	64251	108070	1	50271	50212	36555	192377	109865	151411	180354
157.0256@0.9028785	323441	337694	317083	326333	267827	263872	344925	322803	338111	330835	260289	262045	310891	303433	303143	312717	363699	345369	307033	306922	249313	255519	304105	336431	289745	317581	277888	294857	322115	331555	403056	406305	526187	527586	425787	431023	362646	369604	592533	595385	438404	442183	473014	471690	555648	548309	662087	672825	259940	260128	270507	282596	640155	630158	216049	214630	556448	555828	184085	101624	163995	43816	200035	94313	97957	89215	93950	95586	73193	70883	221421	227140	78123	73097	177179	177811	193870	181554	160336	73208	90840	89434	189953	197850	68925	46621	212794	208968	194414	207439	219374	214559	24531	57612	237208	227293	250715	249921	109787	100826	121477	115124	81416	85809	118907	66265	161500	153345	99497	81303	114818	76816	290752	266899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H28 N6 O S2	332482	532702	305007	283647	620423	283772	608511	306108	537710	725881	246773	539190	369912	614737	680142	314915	376179	657288	592767	623692	549381	305780	287277	733719	1403506	699921	1272566	353187	797739	323727	861020	503751	702607	505293	997757	558507	657807	597224	530774	444802	451097	419664	425695	654168	241169	696369	309770	442097	613154	634090	681029	543262	631520	669066	633053	552561	1131519	1095148	58455	63492	33425	62261	61858	55380	57159	54473	53113	58170	61015	57520	57496	54336	60085	60933	37351	40398	29268	34002	30758	38649	42648	37886	51013	46306	32195	42188	24213	26647	22508	25463	24915	26633	33483	33076	42107	18224	36457	39265	43765	38416	35825	34394	29135	42597	40567	10060	32517	22804	32867	51460	42405	29238	365972	41056	29068	50314	50445	46880	44918	54669	60520	25369	56601	38011	31090	15699	47080	39890	54842	41692	43412	42268	63571	47773	66791	60649	43553	24972	47940	44655	51033	17684	50217	41590	19566	43688	23938	60930	47983	53048	41851	43486	56050	57518	60737	54900	75941	58986	56195	28088	52273	23275	53977	41462	290216	120805	138224	330898	126048	240335	267048	165809	124200	250587	337035	137167	319587	123783	229719	297923	231023	428565	277234	216884	235388	331132	179830	133534	319668	264229	137175	277104	145721	129207	133240	272375	128143	362453	329609	384525	401234	214999	247324	105164	214852	148006	172204	196404	224860	137882
C11 H12 N6 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	230380	226945	106311	109471	227445	217412	105290	102374	68646	75687	61130	59522	395784	407187	125425	125993	103244	95891	134815	133847	100898	96088	249427	245982	369299	375895	51179	17715	360998	358429	303562	296691	314796	321617	1	66207	206498	211786	450079	437992	108800	108669	215653	215372	110979	114517	113765	109697	33531	34920	237632	239949	196933	186635	144653	128225	1	1	1	1	1	14978	1	1	12064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15343	23695	25250	15657	1	46816	47986	1	1	37752	39886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9793@3.105001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71700	1	1	1	1	131098	36184	1	1	1	37409	1	1	1	1	1	17847	17920	1	19463	1	14774	1	53051	729180	1	1	1	1	1	1	39004	1	44229	1	1	50370	15618	305495	1	49187	1	126787	66075	23089	1	1	1	30381	1	1	64702	1	1	1	28201	38475	1	12272	24472	1	39586	1	1	1	15731	38180	36106	1	1	175178	38260	1	31257	1	9150	1	1	1	1	1	1	1	1	1	1	1	32136	1	36592	34220	40410	1	1	32754	27773	1	42705	37433	10484	40562	1	1	1	1	35364	96699	54393	19656	33677	23119	40265	35954	39332	114497	64645	1	27624	38645	1	54906	1	1	1	1	24672	37480	151794	1	103834	31126	52810	78404	87737	1	72631	1	27330	91034	1	37318	12781	56434	91473	32084	36772	90430	103452	103328	117166	97807	86697
4S-hydroxylauric acid nullnullnull 9.886703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	244222	114642	100536	104291	260330	111471	114056	1	1	96338	1	109096	107189	102377	103525	133690	123823	1	123964	131279	146102	302813	305233	155992	107139	53015	72864	143548	131833	117214	52196	126776	132352	98206	1	139779	148110	116124	137520	98062	159654	148762	165036	114234	154003	144574	139390	145920	1	1	169955	162522	157233	234609	4398754	108131	132231	116020	150744	83742	168695	421869	376716	128740	136673	122978	111334	150012	394569	168211	178439	150947	162916	385363	153490	118244	146589	167676	145911	111699	382717	364384	173148	150914	95062	119590	177044	150657	171289	102546	42811	164042	119348	162963	133405	150806	160653	183885	159658	169589	137414	102236	151588	154135	145476	96354	205366	174899	48555	165729	165039	184034	189139	184941	192058	176554	204899	188128	176179	192526	129958	163443	155403	93877	180262	154977	355563	190563	177513	162957	143529	142692	193560	103624	133344	151220	66948	175053	121018	166766	374497	162937	131831	401236	135381	380604	168762	128667	421861	79909	190607	199726
C12:2n-6,10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13525	14308	1	8647	1	10695	20320	9095	8365	8959	10593	7617	12159	10667	10341	9187	13102	12851	13331	15267	14145	14283	16426	14189	12418	9106	22013	18345	14153	15278	7778	8316	1	10826	26599	21553	15433	10877	23997	17064	11091	11457	12193	6150	11716	11122	7448	10533	16435	17439	11776	9071	468597	24454	19539	13249	16443	15911	12970	13882	17281	16618	18315	13035	16102	15996	15113	16818	20385	17354	14306	16878	17680	18979	18147	12178	31629	28755	15776	15204	27770	26271	18207	15984	25257	22704	33502	37334	29295	32978	19226	20825	26260	25148	15505	15559	16321	13144	18500	16464	22211	23197	19698	21233	14271	15063	11103	10565	13137	12098	13537	15128	15626	14310	19471	19828	21246	20144	16244	16346	17761	16093	17487	17027	21064	18889	22378	24007	18355	17300	18332	20479	17169	15368	19777	16378	20909	18366	16430	15762	25808	19564	20558	21921	18021	18291	18368	19406	19333	20140
C17 H12 N4 O16 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25509	23434	24199	23575	146541	142914	16463	14903	12469	12740	1	1	226958	220758	11007	8305	1	10165	13452	13422	20542	23456	137121	143310	87765	96471	7834	1	337081	351086	228209	230511	187811	196346	27266	34942	241259	233483	141452	146793	13653	13700	98790	100535	32113	32162	26647	27447	1	7163	22272	26592	19505	16791	27464	29271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Frutinone A	232117	209948	219068	225447	236284	228470	232154	198858	346798	336830	266958	269190	247742	254470	143884	145402	362923	349457	271998	277588	218987	217109	121966	123861	268835	261315	191481	186339	139949	152827	286551	280360	370227	387230	329714	320739	346031	333014	244075	243138	320396	327062	176018	181713	97491	97125	146155	147807	202002	193740	83146	97760	182708	189438	338478	333562	362807	360330	300599	304364	211335	196797	271237	264807	275346	279248	300030	300339	191871	199744	264163	264515	151744	140224	355542	348087	368381	353644	180078	183098	64859	54205	192140	198994	188149	178077	181162	186122	173354	180661	239990	245402	47342	77020	224598	227193	258496	266319	214405	219491	205809	205487	196323	200024	245855	232441	291706	288252	123477	126684	221374	230155	392197	338679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
210.1613@8.473405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8774	22005	1	18151	13136	1	14956	14676	15123	13441	8845	25850	10334	1	14335	17666	8983	1	1	1	1	1	18260	17790	15340	13853	12702	13784	11733	12750	1	16712	10161	16020	13085	1	14058	15394	15810	16879	368967	20028	15229	17629	17159	17367	14655	13287	15940	15275	11649	17901	16172	14042	20351	14531	16744	14767	21339	19320	18599	20102	16663	15531	18676	21848	16943	19717	16285	13726	11201	12269	13868	17531	15491	16600	14950	18012	13917	13882	15770	17325	16141	16611	14450	10864	13409	18591	16188	16268	17552	15498	14368	11636	14098	12331	13571	16478	20337	18275	13081	16380	14211	14349	12307	11997	1	1	10743	10100	1	10591	9974	12383	11466	11523	1	10632	11693	9981	12038	10734	11485	11016	13407	11667	12595	8826	11079	11933	10113	12193	11690	1	10286	1	11901	9700
174.053@1.6517686	25984	24214	27916	32888	23832	25674	21742	24945	26227	24943	17028	22826	1	17592	18216	23373	27551	25534	23862	20427	19322	17974	25948	29325	28697	33991	30214	23710	32786	30300	28486	21067	27354	25381	21957	24631	22003	20237	28280	27084	24578	21464	25772	21978	30511	28478	23447	27475	21762	18983	24590	24006	20298	22276	19073	21042	26507	29246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	148690	436085	457286	459509	479315	413797	453508	405312	189924	155305	303187	274883	136568	133518	121144	102318	1	47395	57900	39701	30094	23901	15582	16119	22732	24773	23543	29569	44320	49526	35541	41303	85758	93425	81289	85137	81949	94153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68733	76542	76605	85292	84187	85084	81839	74647	68998	85511	75462	70204	82123	90059	35776	31009	32340	40535	34213	42306	46897	39313	52652	41626	42170	35755	52957	56368	50715	57333	39301	42429	57652	60341	46072	48310	46619	44329	42554	106468	64059	57226	61825	69718	54688	55074
176.0293@1.1650007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31257	29915	45311	44648	113140	113456	861686	864050	23981	16003	55639	59961	64498	79984	14944	12928	78075	74059	867105	843164	756550	796620	134769	133695	587575	597991	734311	721275	110536	173246	138300	175417	70302	83318	19574	50191	85400	124721	470675	486042	434178	425526	601164	528108	215870	224875	192300	181727	29281	31951	43507	40754	32103	40826	77087	76721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9917@0.91616654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130117	1	1	1	1	1	1	1	1	1	1	44460	99962	55731	208943	46831	43798	44464	35670	36582	1	54074	52961	31037	1	8157	11979	8144	7299	16104	8795	1	27658	6182	6207	108189	14504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8735443	359727	364643	378476	380022	401601	394583	360166	349068	367231	366005	356973	377060	385150	395061	373468	366645	357565	355502	377068	365348	383443	379805	345058	333623	370870	389520	386676	384236	357194	367701	441952	442844	428250	435795	442513	436161	439665	426186	432774	444789	422840	431467	446905	451954	462074	468671	453972	450135	457128	452756	343119	339414	452990	447118	452070	459334	425450	456023	281317	287691	312458	323316	215230	212825	349317	339980	348882	356184	368181	377087	171009	181355	292031	278712	369974	366074	319568	315564	293794	286407	186475	180952	225536	211360	314119	326465	118658	117154	154079	162926	170089	159308	232853	226672	178951	182706	217083	229530	363641	373166	250150	244707	320244	330357	341045	335048	416117	409077	342611	344938	365483	354359	380081	358040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:2(11Z,14Z)) nullnullnull 11.114006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25403	1	1	1	25800	17282	1	9739	1	1	1	1	36118	26564	9804	8937	1	1	19459	18845	43060	36478	272388	89761	44808	27137	19810	16643	24288	22912	31342	30900	44034	34222	9506	1	46302	27411	53652	34224	19144	16972	47935	34522	20340	19060	61483	13586	1	1	35214	27627	26496	23449	26194	16734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
256.2401@13.374521	24894	30554	21505	27051	17846	11219	15909	1	13008	11074	1	1	19499	1	18736	9602	51174	8556	12628	1	1	12107	1	12567	97010	78725	52118	31610	20026	41586	1	17513	33713	14988	21783	29870	25092	30055	64335	53322	35674	39885	38728	24301	45654	19852	140352	40054	47337	78414	107220	87699	288694	145303	109984	93004	153045	165817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14228	11052	44750	14217	1	1	1	1	1	1	1	1	1	1	40454	46955	77361	49603	78072	63053	75369	72370	154745	64366	80369	62343	202097	99997	80940	71811	113573	96542	79572	83066	198144	87241	161970	187590	158820	160580	185881	189507	160416	167042	157810	158480	185775	184582	170818	174286	201797	197498	164230	172689	218841	204205	184271	179177	177020	156418	184091	179155	200505	204458	199212	194744	160547	159047	156547	167387	146882	148205	183980	192645	178995	178804	284551	268778	168273	170018	211833	222391	212101	218422	175444	175215	222677	303859	333604	259145	275707	220503	215728	206008	226167	201821	572615	479642	241534	220214	227661	205698	330209	279934	250403	213728	268095	208959	282652	236071	248505	241445	249417	209695	243661	237696	256233	259384	287048	230084	241685	222859	553344	243351	254094	249864	313170	236081	397255	545994	297488	246838
C8 H4 O5 S2	138656	134358	145861	136134	144237	142620	121999	123414	179001	173646	150069	150489	136293	152928	99918	95097	175143	174431	152273	136261	136059	138230	113373	114796	155183	170118	138408	140523	124674	124901	181419	178761	188245	184133	175857	179825	196049	196101	183652	165336	186856	189075	160840	167309	134319	131487	145618	146043	141756	157457	93562	93945	162659	159924	200975	207455	186249	202746	152219	162918	117200	128527	146373	150759	160567	160459	165621	155405	138212	133109	151493	158205	106841	106604	166679	160903	172699	166350	125940	130793	72374	73896	124126	118700	130890	121344	135286	144782	118181	125843	133624	140764	107213	93436	157905	151677	150687	146925	145823	150827	135410	133898	138667	139002	148494	148528	176530	167069	113595	116915	142692	134899	174454	156816	257494	249348	281259	263035	264222	256026	253125	271670	223695	239531	123048	231747	229477	221874	211992	213017	243250	252634	213000	209695	227983	219417	234184	245415	222498	228604	245729	222588	210158	212652	244487	258192	220150	210462	247406	254136	247583	254823	220003	212719	181398	179287	207945	205519	238748	235315	140478	199099	194645	202573	114458	108947	108378	117254	119109	117918	147038	146641	116903	120968	115317	125381	116384	124696	107775	112431	118851	117888	113362	113416	112673	110765	114943	115148	114728	115655	105139	101399	140885	142259	111342	111596	119305	129264	107016	114362	130255	112620	106048	109031	108284	109275	96533	104490	96888	95733
C4 H4 Cl2 N O3 S2	316846	312515	313604	322658	354271	346525	295765	284020	330202	325659	354491	349418	344199	347291	310506	302367	298670	308466	319717	323928	351503	350662	261211	265945	343823	335585	327890	336705	285992	282840	450191	449293	479858	448583	472385	466868	475435	470778	450126	455404	454512	443059	430852	455583	430620	434631	434625	443053	454370	445487	329890	326652	462056	461501	475471	483322	495459	467709	265788	267463	285314	289440	161116	170534	321964	325692	324027	331612	312745	309204	97872	104321	212920	201029	293892	290806	308159	351060	284322	286594	132490	134003	176154	167640	301152	286507	59503	63142	92154	90219	93175	90033	183919	150554	101670	93282	124945	131362	288276	276126	156509	147526	219520	232304	235469	232212	319206	315671	236144	235298	265954	258130	267897	260181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
522.0407@0.8919996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29127	34033	30602	32145	178856	182104	17948	17739	16947	15209	1	1	229217	220767	17269	15781	10908	9625	18729	10604	24381	24575	151393	153891	100118	104441	1	1	342911	340165	244775	256021	186913	193685	40564	46328	265654	261821	172442	172102	19544	18058	128216	124766	44546	46466	33780	34027	1	1	31704	31233	27973	25653	33833	42852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate	22932	40702	237509	207297	43483	81954	112317	89453	503172	171652	102918	68781	26270	195605	152008	272210	13231	14549	39910	29142	78960	6938	10586	18692	179799	147601	338994	254190	118776	133793	124375	160535	103586	13598	97953	37772	21812	66674	36396	88088	23235	66161	99013	129852	1	25973	25589	220817	92250	49840	173840	1	73036	61334	66207	35612	130913	37723	33757	15897	56583	50950	78033	63815	20586	27102	49690	48647	34929	35708	53914	49631	25759	51687	37021	55870	44354	39970	39073	40948	54189	66071	63891	59745	52043	82193	104970	100810	102402	100498	53449	57052	46637	29156	91184	96112	52544	61705	73782	42017	108576	95113	32868	28118	60700	77988	25785	22973	73399	47268	30502	19980	43640	44592	61495	64639	14509	180874	64623	58266	168433	206682	74820	43246	170242	37590	153724	89980	45168	47534	29751	45372	147675	18327	19936	92693	94145	71469	36223	59771	58461	30229	113581	20999	87398	81981	75392	50519	46363	102093	102300	72310	130172	128374	154144	23875	98804	164728	49544	65713	68678	39811	22832	25218	56931	165342	14582	174527	176925	145833	91388	30883	116698	64478	87675	126718	131382	72620	117808	76924	52182	105652	99968	150393	63337	89318	51935	25937	178117	135018	116172	71876	95017	74228	190094	144147	23136	101212	93471	156243	61905	112951	119484	30524	14863	133241	111218	19971	79342	15945
226.1568@8.0391245	155086	162563	70232	73881	71667	73905	108968	102888	147516	130682	78515	76088	106548	93712	83434	83776	81393	91225	68590	63070	129316	142768	102544	98869	78037	71605	148642	144778	158462	168988	196222	190962	158212	163822	141695	149019	174131	164707	238043	237009	197571	185211	154514	146192	152605	156567	178321	197394	103281	112462	32599	32693	214704	223934	86939	81788	179636	167093	19075	24561	69502	70972	31446	30331	53808	50448	41751	39644	17203	20943	52062	52745	80660	74299	37760	37254	99596	104228	87295	84385	54357	54871	65993	64755	40299	37906	267998	268991	240099	249231	33544	32743	26172	37190	341149	342139	155629	141752	313387	306530	157352	146398	127389	125856	52976	48749	23710	20584	164306	159511	101072	97217	327920	217463	56478	55049	31416	33960	28409	25325	46494	44908	26870	26662	32382	20388	38259	40079	28303	28137	55619	57963	47255	41577	36218	38703	136323	142229	44792	44830	129673	137661	48162	52266	134418	133822	183395	183341	221462	218959	98535	99277	121150	123638	27040	35162	37688	35168	44853	39068	83455	82354	117720	119463	40742	43288	32336	25748	24937	34078	49311	51644	46149	49269	47744	45766	53135	55143	49967	51313	49287	52694	66505	67835	67392	70456	77260	78702	56484	52722	62210	58520	59964	63053	71477	69339	58714	58115	57909	62405	69272	63918	76633	75852	56402	52527	56650	52268	72506	68026
88.0154@1.0944382	55716	80630	55079	55492	41622	54602	60953	241993	53215	73791	36244	40485	52574	75778	49601	46310	44867	48889	51334	237917	33258	46080	92245	129271	57847	74911	52250	71790	67745	83291	132830	421999	150141	501596	169321	20718	140914	141427	27862	20872	149303	156107	311775	322443	637538	664509	66916	48654	253731	266845	102680	13568	47473	56456	83854	165211	209669	30473	446675	440450	474780	473604	1068663	1054619	349899	346131	352267	346085	382126	419385	2658300	2706718	349327	353647	389638	412861	376057	383152	452037	438978	828395	823183	808074	789585	298835	310232	2738012	2700585	934794	925606	1066851	1117687	614476	347373	1195480	1203512	927905	910884	426086	440346	881504	856335	532713	554575	807257	776366	284815	385669	574437	633713	367347	348316	751098	696027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
285.9226@0.8506307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	214281	206533	202076	201879	243859	237276	206834	205545	199750	211944	183906	186896	276554	263908	142858	132073	192739	194858	201212	192585	189051	194491	229030	216971	201429	206167	173541	173893	242766	245463	222262	225447	223445	223274	132360	132265	266876	263004	234396	232155	200349	200401	222132	216066	191319	203801	194008	188247	195139	194421	192123	195491	198927	192130	192561	215379	62285	59163	73213	68481	52974	50308	65256	66267	73082	71241	63622	59711	66559	65776	59962	62366	68107	73214	61103	63098	67180	63872	68948	64904	63342	63681	66660	66140	65529	61769	70269	69493	65540	65147	72274	69417	69093	68754	64579	68623	43113	42772	72401	72816	47927	49843	59936	64936	69577	73278	32945	31344	36583	37816	33779	32755	56138	54513	32318	30493	37812	37395	50541	48979	40285	40847	37945	36344	46167	43806	32847	32422	30919	29151	40265	37798	31412	30598	36375	34947	41076	42303	31666	31919	42739	42082	37147	33040	59384	61691	35704	34054	29098	29837	34205	34578
267.0967@2.4779987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33977	31551	1	1	183011	174441	50853	53330	1	1	175205	174702	782811	806972	1	1	100879	103049	1	1	117897	129973	716055	741069	254760	217569	163426	157344	245864	247897	114067	118839	371869	369568	1	116791	400794	387218	265918	268385	41885	44797	101331	104327	128185	136755	139920	137654	89077	96693	49734	48589	30433	30896	1	171794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H21 N11 O12 S	32133	32690	89972	88875	49765	47885	118597	122284	56133	60642	77149	81972	88355	83986	76815	77889	39639	37995	70527	67856	14756	16975	172647	176686	101056	109174	30889	30639	45993	44993	133039	133742	202502	203678	45291	49067	147903	150026	158789	162891	269622	261016	112807	116323	110709	109933	228280	238059	45104	41896	41602	48291	207883	206063	41529	41738	407510	415723	12245	10947	53643	51876	170010	172890	18517	19177	33653	33580	48831	49084	325365	318490	1	1	31112	28235	8590	8863	40005	39764	183322	185232	85849	89215	51036	52984	195664	201651	136609	137040	221420	254226	27088	26741	218609	218591	120983	126144	38952	37794	71535	85060	34256	27399	41699	43492	47787	50179	9102	8692	21650	22085	48118	48203	240674	248721	278275	268391	272141	280722	299876	302834	110120	113807	320527	318404	308211	317379	252033	239987	280376	278943	308274	310455	248425	252832	222572	225258	283268	283801	309168	306034	273615	273827	261567	257160	293855	288297	165788	164479	277832	279476	186625	185287	226645	222544	144213	143946	435639	440799	354863	354585	150897	150535	1	1	1	1	1	1	1	1	1	1	1	1	7582	6769	1	1	1	1	1	1	22146	21352	1	1	1	1	20739	21421	1	1	1	1	1	1	1	1	14982	16351	1	1	1	6271	20177	19768	1	1
?-lactic acid nullnullnull 0.93941236	1434425	1475648	1240237	1248117	1003436	994135	1483859	1381526	990998	931545	867362	887178	1306400	1360974	2099641	2104557	955150	868368	999838	994035	1079099	1133162	1417289	1578170	930471	975088	1291464	1327562	1169190	1378600	4253185	4192959	6075250	5911818	4451438	4505878	3613860	3623325	7750498	7690685	4326124	4299128	5754899	5850321	6786370	6840104	8981297	9175081	2583292	2491744	3000590	3129108	8435023	8187405	1970608	1912044	5275812	5359676	897324	109078	151665	100093	272616	223381	863756	43038	56510	62979	82002	61213	321727	329475	1003956	125186	787034	808200	959627	805017	919277	971658	376759	328069	286018	334976	72172	748021	472850	482579	367248	403596	442395	411852	497405	106224	416417	355375	399845	464980	1205875	1211783	1921146	1912198	10690	137354	1475085	1445268	585032	51624	202505	207701	143443	142320	259103	217845	45766	47537	21580	21375	65052	61682	18751	20773	32288	27164	14754	13171	27539	97403	34337	26980	24486	25509	21535	14569	27260	22549	13601	18438	15971	14658	1	1	40632	34099	35445	14906	12514	10691	85084	83554	38309	30709	33221	21764	38824	42945	44594	55070	70937	60983	18755	19686	77417	83422	108436	113614	128458	133200	141635	149628	69339	64215	327754	303522	151483	149480	56832	60517	108847	98633	256596	240098	91445	21944	65722	74780	322282	289659	146020	159907	89891	78364	268448	298220	107248	112562	266781	288467	126170	103590	233521	64304	109073	41354	45163	70162	101869	99873	286737	260073
126.0055@0.88600045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	625398	616079	636493	657788	1027049	1026582	583052	585932	578542	600196	433322	433971	1185994	1184342	596125	570474	541836	515213	624850	596228	701088	723882	1029122	1034726	897642	892125	422718	452809	1429091	1430725	1150804	1188107	1081446	1091182	681063	676947	1253576	1289802	1073560	1069184	626453	648070	954892	952707	770247	773465	726660	712622	412268	423170	730033	739502	689720	696622	872227	845438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H38 N8 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76028	77430	86911	90921	189902	182947	57158	59817	69050	71785	50351	51477	288598	286194	30255	29781	39213	38340	56565	55503	101955	97916	223164	220357	191406	186707	56161	53071	273638	257485	227214	232416	240952	240796	42704	45747	252219	247088	215629	221910	47216	42784	165855	169663	98008	98267	98504	99612	24112	24180	78971	81212	73115	70428	115600	117011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Cellotetraose	1	1	23406	23572	21971	19852	30490	30836	1	11720	1	1	29522	24997	16875	17567	1	1	20819	19036	1	1	68970	72366	34132	37910	1	1	1	1	541098	532365	1002303	1002091	1742384	1756141	838067	821536	2426946	2417032	421914	414363	1257526	1298913	361993	362664	1501641	1529212	343790	353744	241519	270537	3203778	3152505	432910	425836	2145059	2136705	196124	192923	164668	167688	153457	152086	70007	67802	134028	130469	56073	57516	280615	269354	84514	85793	107097	104642	67049	69245	137889	139872	95524	93840	194493	200000	111083	112049	411988	413360	406559	413734	159305	156737	61166	72577	223548	214047	300904	306221	192485	192864	336700	338736	135990	132171	149402	144339	44398	47235	237441	238457	217883	213910	265882	239071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.8868@0.8456178	300627	316207	287655	298889	346450	333535	282430	280870	314056	308242	324943	324294	331488	334919	261450	287876	308835	307052	314593	299954	333542	332104	249562	251935	311000	321679	316406	322703	276699	271688	387808	394615	401089	405374	388355	378399	391005	395258	353632	360502	393810	388143	361684	369143	372681	373808	363324	359432	409512	423978	196337	207389	373427	359026	447437	437626	398042	402580	406176	390416	347603	344824	253455	268821	389909	387318	427330	404682	365106	373344	183725	189111	256696	242809	356765	348865	363652	332512	281111	295912	167952	162024	239067	241537	305258	317916	119577	122095	154216	154842	166359	152769	159340	161959	181209	179221	210704	220682	366202	346645	242914	239253	321391	323823	309074	328091	356660	353502	302941	315539	333665	335972	309169	327967	39893	41288	42575	38820	28786	29485	40991	35217	40464	40722	38399	39442	36578	39554	38683	34017	44228	42277	42999	41543	39616	35389	39250	44215	41974	40573	41741	41190	42626	38446	43101	39584	41727	40992	39054	42461	38543	40812	41036	37329	24337	24383	39714	42198	22007	24332	43286	36692	40742	42129	20248	16743	21676	20936	17732	16030	27485	24024	21083	20659	20253	20364	23029	30416	23291	22423	18275	19917	23323	22047	21208	15721	18835	18740	20210	19778	18666	18740	18240	20954	20657	17541	21404	16868	24303	22420	15043	20492	25670	29249	20564	15651	14358	17413	22935	20369
C12 H16 N2 O7	90701	95618	103672	107437	45213	36025	117600	113134	108487	100355	57144	50451	70921	73210	62172	65752	98487	102613	76933	73943	31139	32465	127573	134475	64863	69082	66960	67081	115736	118845	1	1	1	1	1	1	1	1	8162	11872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55595	47901	53057	56180	163485	166778	33930	36481	44879	45177	35903	33971	293653	296261	22175	22239	33167	35628	39125	41649	73259	79423	224029	216369	177277	170056	38183	42624	335787	330799	236732	240947	255220	246266	39557	44985	260054	255658	201005	198266	37148	40570	163110	159110	71253	72243	79565	84202	21887	22426	66491	64386	56651	52975	97632	94922	15047	12827	1	1	1	1	11291	11298	1	1	1	1	1	1	1	1	1	1	1	1	21802	22973	1	1	9028	1	1	1	7001	7816	9454	10666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10370	12663	16234	15339	6734	7598	20567	19543	16157	13723	20789	21870	21317	23454	9053	9005	18987	13664	8185	8860	28443	26661	27758	26725	11656	12768	17913	18623	7156	6924	13173	11890	22884	20345	16481	16176	16607	19541	17396	16450	11429	10640	40001	35434	15413	15738
600.3277@11.66295	51702	47005	9210	14891	9026	1	1	1	18449	12419	17026	20838	51209	21749	59191	31395	171798	26996	45507	18563	31903	45152	1	1	23027	7668	10359	1	1	1	13085	12019	11306	13353	7121	1	10323	10563	157305	96536	18305	14284	11860	11416	46427	45747	85357	35791	10940	12960	1	1	86214	28635	1	1	33067	29720	1	1	1	1	19125	1	8834	1	1	1	8800	1	15654	1	1	1	1	1	1	1	37744	27557	369328	100946	30807	9488	8392	1	1	1	1	1	19360	9486	1	1	30662	1	28484	1	14573	1	39507	18941	1	1	116135	14494	1	1	34620	14016	1	1	112918	1	16335	21647	8789	9100	14121	14065	10438	8166	1	1	14502	15874	11705	10101	14999	13698	13679	15132	22068	18622	31245	30064	20262	17599	15606	18349	26646	25787	16491	15077	1	1	10817	10804	1	1	9563	9853	11037	10816	51440	39908	1	1	21840	21034	21232	21340	11490	11171	39994	41042	34206	25162	58063	29355	26862	19433	27637	10866	159799	126607	12689	1	10486	8280	53863	30493	12248	12383	18675	1	28768	13074	15581	12132	15763	12050	13146	9102	14178	14367	26257	7806	12727	11560	135202	10923	15885	9057	31491	13999	67216	108616	24048	11874
Nicarbazin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73429	73334	78877	80898	214676	213674	44774	42148	59225	63776	75951	71818	316965	318875	35061	32943	48805	45453	55017	96064	127828	124111	325606	302034	249826	238852	84639	80297	312296	296324	230103	225214	268215	261056	69905	79191	264538	266343	246572	250542	47305	45129	186772	178287	71847	76080	86721	84368	48691	53559	84085	82756	78544	77314	136898	106580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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<none> nullnullnull 10.191996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32595	10749	17116	19682	12933	17220	10361	24657	1	13601	18351	13188	37516	9872	26687	45264	23648	27907	17029	21069	24380	25121	34648	39018	37624	23683	23602	34030	18000	27464	31013	31947	31871	18202	14808	21379	29146	64154	25504	23239	35462	24672	19810	17845	28596	20456	30810	27519	28787	31036	29900	29182	18549	27576	1650674	32788	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C12 H2 N4 O6 S	67619	70679	65366	62940	46817	45179	70440	73519	66245	68886	40800	43403	57684	59614	58978	58056	61420	57724	55971	62652	36168	33172	79706	83587	56793	56896	52604	54745	62716	68023	16004	15298	22667	25801	20438	17649	15071	15330	23372	20908	34526	35910	14729	15217	21165	23770	25455	24215	1	1	14023	14097	34309	32059	1	1	57739	60072	227960	235237	257009	257406	341047	338313	216160	207636	190745	202271	124899	122856	292157	284300	172187	167507	160172	158701	217971	178156	231576	243603	294239	305877	297400	313383	117186	117736	259009	258336	284303	297412	281166	296741	215001	216278	335949	335520	342026	333903	215633	213808	333843	341481	299654	300926	273112	273769	96770	106689	265569	261353	262495	266614	311350	312997	61803	63008	49943	50229	82564	83175	71078	72022	26553	23971	69948	70693	71861	75922	82280	77593	60649	61018	79529	83294	75108	72908	63628	67979	67936	70839	75635	76201	66134	69712	46771	48342	51002	53475	26506	27159	65716	66689	41462	42381	92441	97966	27264	26119	126489	120550	83300	78188	33262	30485	11390	11899	8351	8864	15698	18109	1	1	46594	50881	12442	13410	25255	23977	9484	8943	16838	17008	1	1	50412	49013	84177	85973	14621	13448	47347	46165	64295	62744	11203	11533	61470	61028	9564	9858	48009	44646	9543	8479	43114	45422	60202	62570	52559	52831
271.9064@0.8649324	185934	182173	187056	192810	145944	154145	205986	205184	193938	197382	145390	150894	167395	175956	156602	156862	213672	198592	186249	183132	140457	150519	211723	204924	172537	172295	177806	174892	215197	211199	74487	66511	77613	76313	76638	72562	75278	75070	70515	70698	79795	77767	56869	63345	47168	44663	62125	66150	64993	51683	46491	51080	65205	74840	68288	67126	83114	82589	170809	175536	147835	152146	238324	245570	139916	141159	151706	145521	121882	125283	358065	340485	108033	100600	111620	105491	123320	113787	134091	143650	231129	225148	200683	218460	103836	110758	302029	302130	250944	252262	249406	249738	120574	119468	268812	264957	228337	221943	117718	115992	202242	196148	144084	149927	141497	134686	92352	88740	135034	135818	133179	125269	129470	144850	118396	112141	109107	108923	103628	104101	106505	109166	112283	117138	125673	125358	114654	118209	126189	128412	113325	120205	126798	123220	115121	124239	115859	114919	121380	117171	115753	121749	127413	126036	111417	110043	119693	124453	105310	104884	117180	108182	111805	111665	123265	119449	111680	114621	107627	107312	123110	121777	106615	109972	102358	100255	123798	119083	128670	126683	121496	117558	138717	137940	127307	127810	114685	113043	132545	119198	117325	112977	125583	119988	115509	114265	137042	145001	119017	119376	122722	115945	131776	125647	119241	129736	129842	128120	133170	120110	116507	107716	97340	101624	122247	123268	102928	110015	127504	126753
323.9204@0.8425328	306181	290517	302897	316089	330569	324180	280910	269842	308703	306024	301571	305504	318725	324826	292720	286902	309146	314902	316129	315947	316606	301307	267704	244413	298066	294007	314698	310048	289768	290524	339230	329724	326684	314961	312628	307757	318956	313836	307393	305211	322128	319313	316188	310508	347125	345988	323884	326820	360019	352619	170977	181289	311092	312120	341118	340752	303779	311284	386187	391650	360606	355339	280720	287648	388197	380410	383013	401245	372482	371066	252237	271527	263115	248592	331648	329478	351955	338366	311374	317190	226568	221660	267256	268350	315899	314601	167969	166500	204434	192200	191802	199039	173771	169931	229679	198910	253160	256187	346359	344107	242919	264783	332269	331949	316475	317003	344386	340540	326566	327160	329757	328658	294026	330383	372084	369739	351052	354863	267148	266904	360925	353194	364195	363472	362261	363284	336185	347509	368197	361360	372985	360813	383897	380124	378720	383097	385009	374021	367989	371831	372209	369787	374292	389516	376314	374670	361032	368371	372527	375109	370213	368694	385309	375088	281282	286278	383137	382830	281436	280358	394000	398125	380356	380156	218247	207834	228466	221330	215457	217657	260806	257236	259373	249635	228538	218262	299879	301740	260803	249058	206631	205602	238265	241130	193724	201967	249598	254341	226029	225062	207671	196414	246242	251145	244788	235607	231655	219617	245417	256376	207999	186930	272522	277895	224005	223825	186802	185309	241337	232310
5-O-Feruloylquinic acid	10120	11790	12097	11333	1	10027	11034	11552	14671	13266	11483	9637	10773	10336	11338	9814	15737	11879	10961	9763	7769	7908	10598	11134	10248	12322	12500	10571	17833	17330	35560	36761	82299	83892	36446	59235	32591	30035	124480	122505	40292	41001	62493	63971	96570	96413	184752	193159	14881	15614	15543	18044	174158	171983	10978	10556	50838	53902	23871	24023	14993	18718	8673	7528	12488	11129	13931	11495	9751	11839	19617	18454	13042	13992	15603	17115	16217	14684	21367	21208	42242	39377	13154	11068	10956	10044	78666	82244	63033	66802	21031	21398	9695	13400	25344	22973	19658	22641	20152	19570	21186	24014	18414	18476	21573	23364	8847	9039	31845	36523	21613	21436	7607	22435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10384	9650	1	1	1	6174	1	1	7516	8080	1	1	17585	16043	19785	19664	1	1	15483	20531	10902	5912	1	1	10124	9468	1	1	11825	12026	1	1	11181	12865	31601	36494	12187	13535
C14 H14 N9 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14447	14907	15366	14834	111834	111277	1	1	7890	7884	8311	1	159642	158258	8748	7548	1	1	7552	1	11040	13113	93577	101830	57185	57046	7649	1	314725	317763	188288	196222	130668	133157	24071	24415	191109	178830	97519	96065	10262	9386	66064	70283	24756	21513	17419	18689	1	1	19483	19920	14021	16224	15937	18743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 11.328756	1	1	1	1	1	1	1	1	1	1	1	1	10881	12056	1	1	1	1	6963	7194	1	1	1	1	15365	15819	58176	57266	40646	45306	1	1	1	1	6477	1	1	1	14157	13184	24298	23714	13827	15203	19476	17116	14509	13560	15578	17996	1	1	7655	7030	77462	74616	58183	59058	9554	10591	1	1	32674	40398	1	1	15974	16335	37147	39157	13660	17549	1	1	28527	26110	187900	188106	67986	65800	43806	33920	13908	14967	1	1	11016	14179	25366	24883	116233	121830	29448	29641	19862	21014	154570	177926	190230	193827	11164	13274	135837	136182	21283	23337	128651	126677	285397	299478	64898	63074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
79.9666@0.879037	740189	707095	733765	707482	723378	720295	725599	749473	678696	637398	732121	694389	718935	708746	809505	768670	669968	693446	687530	706323	764978	789114	811670	797505	687773	742022	826251	850676	831773	850840	741063	714035	612519	616992	662966	647217	656267	633772	709296	694236	716030	699555	823337	839689	1256987	1176677	902791	964180	954057	956507	770754	782112	871351	854142	742273	723307	632445	635472	669525	645750	611987	644088	676613	614898	568795	565281	543355	567412	563211	568484	896058	896420	757726	731930	594851	596096	506161	491375	609448	649719	818896	803465	752814	750798	619934	625596	908665	841564	815151	826234	855663	856007	632995	718937	922841	916094	870555	893372	769398	742563	786112	799148	844654	853025	789347	745552	633906	627719	872768	888725	751137	722364	948948	764284	890125	877356	766541	765330	612356	604047	732365	705735	869163	854469	820199	839370	856251	869304	972417	1003794	811977	827606	1017643	962753	1000033	989306	821550	789287	855357	864930	788653	768739	964524	982374	786402	796270	904880	883165	794420	776930	772742	753923	896861	886267	856651	862845	941708	965364	665291	657766	950414	949995	934632	952016	604153	561763	650874	662999	744437	748216	663162	661002	677114	686037	671666	677961	835198	847905	918548	905400	684908	635658	853633	847300	626955	620955	729731	724100	721195	725275	697943	689609	638834	632147	904148	914631	675779	657505	903567	909838	648108	614433	995738	1036463	749210	728816	641517	637495	820265	818473
Isokobusone nullnullnull 11.568867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33875	1	1	1	1	1	1	54259	46716	35713	58453	34856	53727	58043	43722	1	79184	61611	44240	65469	18916	38101	42094	22358	36805	25840	27084	47198	59165	78227	70627	33378	34682	68450	38542	64112	53085	72396	27279	105661	62289	52388	62275	61852	75096	55264	69736	92060	89006	73865	73545	57530	76032	74405	77968	52828	84608	73683	68529	74871	79284	80935	76157	87569	78593	74567	67184	55443	62060	66097	81206	72802	84047	79618	71650	87683	49950	75942	48253	80298	66076	70264	84090	79464	73890	71570	43625	72616	88766	31055	33123	78744	45361	51679	78233	85336	85193	86732	60024	150860	131716	153395	1	1	1	1	101052	1	1	103192	1	1	1	137024	111907	145196	136649	143261	1	105887	129417	168772	137234	142232	118146	127797	113761	96354	1	1	1	119201	105958	142105	1	1	115745	114802	122759	1	105265	1	1	125599	1
C5 H6 Cl2 N2 O7 S	304027	294916	307423	306803	337365	339427	279991	269153	314922	312177	346142	339403	337174	331955	296042	291556	285401	307049	309650	313739	338704	337023	252149	267140	335986	337121	322739	324183	273104	279061	417900	430989	448045	425971	435637	446273	451383	442258	430345	436025	425123	428933	418607	432474	407701	404095	415120	424433	404130	413628	328776	327440	451262	451216	451625	440964	484332	452929	261112	261252	277303	280326	154580	162870	318471	323766	318758	324057	306608	302881	85412	87996	213335	199241	290374	9421	303730	348238	275927	279220	117462	125704	168357	161606	297494	282069	47756	52673	83939	82534	85021	80696	170071	148063	93859	85302	117110	122358	284811	271141	152239	143245	213627	229455	231401	227510	314997	315694	229425	230262	256239	254689	262831	255676	412356	415169	437127	437682	353238	375403	420025	426304	442984	428618	413608	424574	428526	431715	415029	417171	451527	435212	420122	417435	412692	401171	455090	451538	432005	440610	458914	449242	427982	420724	466315	471542	427770	446216	490652	495734	451066	474657	469769	453597	337388	327284	476476	421439	368087	365239	426285	423243	453820	461328	265649	276261	274174	282015	266251	273982	399942	377461	257428	265014	280716	299948	372697	381200	319749	318755	295543	301026	314758	316614	304251	293059	270494	261137	315719	319097	296968	289908	299357	292410	313058	324655	281921	277398	341794	319653	310646	312172	452095	442770	308380	304434	294725	286532	294086	294361
6-Phospho-2-dehydro-D-gluconate	42334	42972	43478	44586	25315	25619	46820	50281	42831	42096	26554	26414	30848	33061	33285	34763	39254	41157	37314	36146	22326	19917	56731	59634	31602	34893	29581	29599	46317	47286	37385	36707	50069	50885	38716	40602	32719	32405	50248	55079	42687	44581	40788	37329	38853	38489	50718	52335	23171	24034	28433	31588	55266	61029	22091	21566	57945	55990	231288	216887	219711	228037	342633	346599	220857	216357	212159	209098	163463	165953	333148	330231	161908	162117	185774	187902	219714	214921	196489	205934	274983	281361	262807	264402	158142	157451	353636	353538	317611	321040	289766	292065	180064	182247	369821	364584	323378	336399	204768	201828	307840	294993	239228	237480	230122	228842	171490	171448	216133	212149	224449	219550	285830	269601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.0161@1.1884522	45347	41801	47725	50682	25995	25817	44992	47243	40490	39480	35085	34983	41912	41675	51854	47813	47332	42443	41459	40442	30658	28349	62640	67155	41645	47715	51251	50307	60963	61583	24867	27117	37408	36904	28399	25873	29513	31897	39028	41178	41985	42172	20516	22324	34117	36731	39640	43584	8787	10225	12489	13195	54021	49979	8468	9938	63181	69361	184990	185865	231272	234602	308111	294138	197981	196100	227290	234963	190653	190547	321978	318790	108063	106835	175223	170426	163820	159095	218175	208973	261353	247401	201284	206080	183806	182157	266997	266515	256813	265999	267200	267821	128161	150788	282704	286740	233023	232518	174007	174395	249062	248490	224149	227397	223108	221048	163023	160753	129388	132455	165867	159645	239110	248601	1	1	87999	88154	43473	42691	76985	81399	24217	24354	79247	82682	95516	91883	88697	97945	33537	32783	84592	86176	11106	10694	40587	40564	82305	80393	101106	104088	72933	73842	15112	15427	87310	85185	41850	39509	103236	101134	33948	33005	30637	28230	25094	24487	73065	72340	88193	95410	21336	21078	25336	25564	7468	9472	1	1	1	1	12647	11546	12326	11086	9407	9441	18741	19134	12661	12358	13384	11503	12337	11358	23123	26012	11976	11755	17651	17274	9788	9686	21612	19706	20380	19559	22037	25572	12336	12699	1	1	1	1	1	1	11384	9140
C6 H4 N O2 S3 nullnullnull 2.830447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	155528	354987	1	1	152847	266109	256513	1	1	1	1	1	1	1	153175	312071	373881	204295	88852	667014	163861	767624	161180	215136	165848	112199	211879	376435	473019	227621	312349	361531	1	293805	396403	184059	228222	409684	129439	415779	649233	118155	198222	237453	314212	136904	63489	92281	74188	334486	157615	130918	1	553202	287793	515874	315271	460597	513889	453516	396223	530699	191982	99753	394564	329958	373732	370449	143458	172310	414631	426847	164425	251213	326183	532771	651871	790249	635449	464443	398443	425749	456228	609146	434324	524616	198968	447264	301001	515536	506645	513174	610730	588753	529194	510773	521436	407284	517882	361795	446665	170231	379490	413206	244929	180254	435319	161314	226784	202049	185083	520876	254253	253963	354748	265626	328632	196782	286236	1365675	157078	253374	138043	238348	308181	150512	155747	146651	252776	118784	150402	128433	107485	289599	88829	337412	158251	61332	187376	164322	167712	426954	127496	120946	322819	109068	342551	235685	348603	174660
3''-Hydroxy-geranylhydroquinone nullnullnull 8.994868	79022	101725	40696	36351	37130	30669	29850	25995	41000	44350	61030	57450	85308	103474	97163	103687	100015	160060	68805	71082	159757	61137	37994	32062	36960	26394	27868	25830	29679	30977	31601	32870	54769	39500	25140	20690	41267	34385	21157	32165	51574	62621	26173	33231	45709	48289	45861	29776	1	1	42678	29557	31654	55366	1	1	53350	52162	18073	12540	37932	38683	15453	14295	17478	15092	1	1	22631	34682	20004	22694	42941	32753	21016	24611	18847	23440	76929	79473	114285	105099	105853	90781	45232	32081	23609	19668	43075	39713	23538	26369	44018	30563	69899	56411	85360	90417	47898	42583	101292	87967	45510	46089	64017	55653	24172	16669	90229	99394	49242	49121	82590	71550	23376	28400	25779	34141	44167	59923	64968	20944	26532	51135	61705	23967	32080	15369	26764	30369	32033	16773	18793	34607	24574	29391	27328	47762	17317	14976	13564	13586	14385	27076	19860	25153	15340	10203	1	1	29990	39306	24682	10265	97927	58910	38348	11021	22695	40557	11172	10438	17438	28696	1	66259	30584	48645	1	1	1	1	43566	20554	118966	69969	32652	40270	28130	30887	1	1	1	1	22659	26823	48458	33477	80875	43114	11875	8404	12374	15071	53430	22139	24532	16681	1	1	144952	24659	1	1	21801	7884	1	60620	26576	32267
553.8654@0.84027386	231377	230304	240905	241088	156001	159916	258920	260677	235147	233213	169605	170948	192128	193444	200830	195323	228884	230700	207081	204751	148422	143006	290129	297033	208434	210513	208875	204329	276302	289374	37266	32617	37500	37838	30889	30622	38896	32531	45412	42482	33439	33548	38417	34878	42947	28341	37445	41464	23248	29490	29805	29894	43468	44566	32620	28781	43398	38822	98736	98604	103642	105110	183650	180168	79992	76582	81856	86805	71800	70645	151332	154245	161968	163502	100902	106086	87056	36053	38957	46059	90555	103228	114157	133062	76202	75623	165790	176953	209575	225539	228367	230748	297219	310515	303043	294436	281309	281599	139406	141279	291934	278371	191714	184323	177484	186091	85859	84987	174585	173567	153551	149800	270739	201753	17371	20524	14778	18163	33501	29816	21817	15688	10539	12056	22619	22073	22147	19889	25251	25520	20437	17899	23650	24706	21120	23866	20543	17630	19052	24022	25607	26745	18963	21374	15247	14181	19562	18150	11495	10097	20668	20536	14791	16045	41371	45868	8915	13588	52559	52542	23243	26403	14778	12138	36562	37798	23558	26520	35387	34287	11111	13823	75533	73946	32806	30539	26920	29838	28132	30927	46705	46156	16116	17317	87476	85709	124814	125479	34730	35818	93286	101538	93978	98218	26066	27790	93695	96387	28666	25614	80253	76747	15927	13591	71878	67193	116134	120477	76707	75225
> limit nullnullnull 0.9889994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83703	85522	57288	56248	148428	136063	25095	27189	38718	42031	17790	16343	117767	123791	33746	33126	43749	42244	37835	38078	62601	67171	61047	58367	119400	125723	28259	25895	317625	322044	253738	254529	85649	86064	20033	25856	155714	155186	158055	148262	72023	76726	213747	211005	46971	51777	65876	63575	13869	13387	119886	127864	89753	94146	69104	82936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
151.99@0.806247	74801	68644	58982	72562	42879	41110	75043	68269	60509	63456	47579	44768	52418	54950	63051	60076	90070	68292	64451	60566	46779	37880	83241	84787	56810	52508	57831	53698	73039	76433	35554	15253	30370	17958	12128	12167	32054	14410	15411	25082	6925	31399	28903	15190	10312	12740	13624	14070	15182	9604	30589	29351	18035	8418	25109	23029	37271	12559	164261	162292	124834	112222	144717	133947	129928	139442	162475	153462	119201	128274	131270	129407	135209	137146	208385	199846	183030	130332	73625	94226	44590	39051	115725	139119	141914	129936	125653	123073	111981	111474	149305	148169	146702	143977	199900	202028	175841	178649	228090	218992	192677	178552	191505	194384	218982	213737	264940	269117	158356	166972	215926	199580	278000	229271	165012	180780	209263	209302	200163	204560	229572	238696	231336	225240	109894	208026	185316	185706	142149	150558	194157	197487	145349	150126	158145	155226	228512	236924	189380	189671	222884	221225	176006	168654	223104	238362	189463	189340	239113	230811	197218	198170	188418	202849	67324	61770	213408	206849	191497	177876	137981	150732	169296	169942	65111	59797	74353	72500	74160	83953	125004	124855	71918	83573	104251	91241	79032	92328	96126	91457	89660	92784	94980	96625	81877	71666	108025	103982	103048	100529	67779	67792	129111	135538	80794	80192	96782	92981	86904	85194	115750	102576	130358	134527	87723	84104	77338	82854	73845	72585
332.1213@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32324	30259	31435	25206	128551	121572	11973	11861	27731	27463	67128	67593	290520	296210	14070	16282	181152	176708	11901	22278	44963	45439	270494	244281	186150	174591	75610	75674	288184	288698	176820	198200	279522	276916	39052	47685	269999	278380	229968	263070	16913	18262	136769	140298	24287	27624	42067	42290	46288	41647	46653	41665	35367	35500	39598	49293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
196.0827@1.0699998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10084	9646	19374	21062	180704	175352	14197	15138	29833	31547	23203	22709	320424	319648	13824	11746	21811	20518	14989	16026	41706	50908	207516	210825	187404	193186	43925	47536	103823	101455	178195	184933	272896	268027	11306	23114	281195	283248	288091	298836	9484	9673	143226	139143	68102	66669	179960	172940	19028	17595	103378	106180	9302	9748	80213	79754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H60 N3 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7376	6835	7588	6881	1	6805	1	1	1	1	7902	8631	1	1	1	1	1	7414	1	1	1	1	1	1	6993	6891	9793	9429	7012	7084	7766	7945	7663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41616	39147	42362	43203	40716	40852	45178	42135	31400	38906	40668	41946	41105	41947	37454	39730	41205	42977	43717	43566	34692	45536	43918	46312	43933	52026	53925	50608	49505	47644	55042	49618	47057	52553	56667	55082	47760	50956	54861	54748	348627	59212	19090	21187	21414	21328	17442	18271	23080	23359	23569	21847	17857	21532	20965	20929	21004	19860	20833	21567	20045	18757	21110	17224	17773	20383	20721	19070	21463	19733	17871	19395	22868	22383	20107	20007	23003	20137	22332	19097	20770	21348	17808	18985	22450	21211	20261	19599	20605	18569	19180	20170	64376	61466	60852	65667	58394	61146	65866	58278	32297	33589	58587	62340	63095	59909	60366	52257	48973	49482	43262	46757	41344	38189	35248	34105	44379	43885	42041	41859	38720	39036	40445	44134	39128	41027	41447	45366	33323	34447	39033	39681	44192	41847	40270	42088	30413	29321
C35 H57 N10 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20397	18740	29274	31533	11157	1	21444	20281	1	1	16878	12687	31317	19514	21906	22888	25543	24723	25795	26122	101163	106416	347330	129255	58926	37135	38396	34269	1	1	17258	19351	23525	16412	13828	17337	45836	20750	50290	36125	56706	44849	66132	47107	28756	27690	145924	41567	13553	13363	77940	53780	34777	33417	62762	32243	16410	21857	30199	29256	20439	20014	17013	17969	1	1	13666	16135	25251	22090	24537	31938	19895	24536	23527	28840	23453	21557	21717	14456	20326	20557	21135	25099	15592	30666	14317	12969	26979	28136	14856	13164	23934	25054	19991	18759	39778	40189	15657	14073	29822	41625	22257	19330	25114	26406	19177	21550	21250	17851	24386	19802	14718	12452	22844	16144	40466	35155	45848	39153	1	1	1	1	1	1	28260	18451	26143	19182	19143	18430	15009	13412	1	1	17268	15212	23994	12806	1	1	82545	15479	1	10577	18896	13964	1	12266	20471	13878
246.0381@0.934999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	275212	268577	213795	207132	251443	245683	277049	270205	297802	292779	223968	219747	233375	236979	174844	167636	322028	312186	332127	327387	191491	204739	67071	63424	181323	188459	200184	200591	144802	144897	142940	149060	190866	192239	121219	128220	225358	226765	259815	259924	255474	259167	226891	226061	235209	233448	264179	274584	339177	344875	156665	149611	258700	254917	338260	333005	265380	274335	314921	317812	310055	331184	335684	334906	292365	282843	282645	276968	285864	274616	214861	214209	298622	308249	224666	218739	245688	244889	322448	325373	279649	277411	335428	334948	245549	242184	353224	354434	289889	279719	360632	358526	340220	342211	315737	309476	179692	181603	281938	281006	353920	350591	254542	255863	263380	261391	183980	179942	201411	202237	182165	181398	265415	262004	186648	186658	222515	227982	176752	174054	209781	191213	230373	222687	211419	215298	200157	201137	221970	223521	243856	243547	159919	153833	280901	280868	207574	204426	237182	236703	216602	213332	209445	218183	158020	156512	203358	206916	134325	133331	169091	172097
191.936@0.7580715	1	1	1	1	1	1	1	1	174119	1	1	1	1	1	1	1	139484	1	1	1	1	1	1	125637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	147014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87422	77126	75304	53049	113879	84064	75361	114632	55619	164336	96353	102978	99198	153351	1	1	1	1	1	1	1	65614	1	1	1	1	1	1	1	1	1	1	1	1	415091	187031	116125	165756	175886	1	169173	78276	111259	108227	102649	84322	126905	71963	124888	91543	137261	128171	68475	1	22226	1	45361	1	1	1	1	1	1	1	1	1	60637	50973	1	1	1	1	1	1	44970	1	1	150767	1	1	46859	1	1	47352	1	1	1	122110	1	1	1	1	1	1	47138	1	1	1	149033	1	1	1	1	1	1	1	1	1	1	1	150864	1	1	1	1	1	171820	1	1	1	1	1	1	1	1	1	69891	153897	185229	1	1	1	1	194941	1	1	1	183815	1	185700	1	1	1	1	184143	1	1	160000	1	117346	168116	1
313.1022@2.4800012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32146	32274	1	1	152171	153715	46894	48857	1	1	147801	150006	660221	665067	1	1	87065	90991	1	1	101783	113574	594164	611814	214282	183202	1	136702	204698	206972	102743	105125	313980	313460	1	104251	332535	321159	222851	222103	40987	42265	90117	91088	110804	117040	119136	119835	80918	86932	47479	45986	29090	30101	1	143744	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H12 N O9	150843	158971	144096	150154	157897	145989	146094	145686	161130	147308	147504	139974	158948	156457	152326	152440	151773	154059	150988	152936	142372	143877	156324	156756	153178	161083	157412	160012	153391	159503	134306	131357	147369	150556	126842	131248	127747	120044	137605	137644	165008	165735	126337	124692	152457	155212	150301	152303	107647	113656	100016	102222	166629	162554	80564	78415	212782	216139	250358	252424	277438	282694	203506	213753	289558	282273	274600	279103	234728	230419	155572	155444	224900	220487	253734	252172	265366	234608	220636	233641	173714	172899	198028	209606	207920	209724	126920	120372	153563	155910	163422	158033	199879	203952	183391	185083	214900	208988	299809	308773	242101	230101	294362	295567	291686	293037	235916	235830	284490	292700	309635	297961	343366	320527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38457	37173	34511	35682	60883	58269	22388	24092	24805	22824	66660	70815	76396	73515	43834	44580	85027	80022	31906	29686	165642	169519	29874	35992	55613	58419	227840	228991	38093	41179	37542	39064	40124	41770	39887	40710	171478	175265	20804	21135	151653	152431	230581	238407	47479	45629
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2E,6E,8E,10E-dodecatetraenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18276	18632	18455	17715	1	16371	1	14152	18732	19285	16004	1	1	17934	24464	19050	19734	18056	16226	22975	18024	14877	16901	19689	19083	15803	1	18684	14960	15412	15984	20523	17577	12428	23401	23007	20199	26442	25412	21103	27208	24677	25770	24075	22408	23399	23065	22567	22296	32381	24460	10956	27275	2733999	29573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10771	1	1	1	1	1	1	1	1	1	1	12167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11600	1	1	1	1	1	1	8076	1	1	1	1	1	1	1	1	1	12081	1	1	1	1	9364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10314	1	1	1
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C23 H4 N O25 S	120755	119245	116051	110543	202085	199820	94859	93172	119016	120325	181804	182466	159631	153973	146802	142440	103807	113355	135031	133196	203405	213876	83899	78365	154066	151428	146995	143762	84287	94007	445105	445722	436047	449229	477536	476720	477518	479918	432658	427603	458940	440912	476024	480720	463883	457525	432786	438065	513285	499884	517697	503262	448488	452454	546982	536941	444641	444481	87278	87789	96754	96566	27956	27864	133819	131626	130042	128302	124148	125027	8624	7455	208716	209817	251037	249442	150194	51836	25599	31220	9375	10096	21577	25482	111102	129038	6500	5856	15630	15394	14890	16202	71656	67898	20233	20922	38706	36870	229713	230340	55627	53585	146015	145393	141466	148257	274703	274428	145534	147531	174990	180324	189979	153974	290659	281446	303706	292839	262560	261571	268167	273263	324873	330811	275156	275648	284207	282391	272355	269739	285892	283414	267984	268402	272880	272967	278818	282949	276690	271659	271833	266216	274766	278639	302472	298762	298857	294969	322706	315030	287750	281727	302841	296245	228218	225525	307010	310153	207443	210621	265723	258064	288576	301843	295947	293813	315693	316985	287106	286395	390925	388481	205829	211644	321173	311952	320204	325647	359316	356799	309866	322709	393669	385129	245078	245432	169576	169068	344146	345229	221107	224799	202150	212506	362288	352087	210364	215856	356625	352073	249726	259582	421386	408346	268343	272991	213380	211067	251936	250447
C11 H12 N6 O11 nullnullnull 2.666395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75629	77147	39418	39795	1	1	29596	1	27485	27698	1	1	157837	1	1	1	33712	33019	52618	44451	31389	34034	95177	97211	177599	172626	14754	1	185067	180253	123424	126595	130225	134863	1	1	113060	115457	217233	213892	43347	43786	97749	103991	48756	47497	52451	53916	1	1	129228	134636	95386	92628	68095	62790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23120	23406	1	1	1	1	1	1	31295	33150	61454	58724	1	1	27667	29495	43577	47895	1	1	36938	31224	1	1	37905	33743	1	1	28409	29026	39428	40915	40153	42153
C8 H10 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143514	145226	88338	86575	552788	546923	146547	142637	116113	118905	66647	66969	309999	317084	49642	44387	79909	76494	68022	79112	107649	117120	297938	151465	310690	322089	65290	57318	732324	742730	454732	467770	311677	307280	1	45728	490059	492908	335758	343196	116062	108833	484944	489376	98414	95763	103301	86014	71830	74863	100312	102776	89389	82557	105264	125529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3''-Hydroxy-geranylhydroquinone nullnullnull 9.446629	199006	170749	106297	114599	83446	75876	85154	82189	109488	105678	78753	96732	177462	139282	191385	130424	465544	149343	182683	140209	118817	144709	83625	87361	91073	80565	73506	66383	74364	61696	47008	40457	63399	60300	53739	52438	75392	67944	67441	70484	81035	82863	58845	64952	20867	18233	122289	83663	10487	15303	108101	100982	97722	89656	18085	17241	58793	58812	60947	55128	108040	119637	60702	52470	79412	77689	30617	31315	89466	82880	65058	59152	96384	108884	82551	88176	75462	65128	110496	116511	233297	142249	137587	115416	122724	90824	30222	34715	54440	55171	53607	46689	97548	96001	109226	67444	106466	88201	89508	90687	111811	92776	89902	74451	121682	89973	57054	54793	158984	143629	113630	113944	159241	131396	55395	53548	69113	74853	72877	67759	65187	58139	56063	53344	40592	36593	35311	31947	44347	50023	41130	33344	49818	45619	52004	53304	75141	83160	24509	22027	24929	21768	23009	27771	52134	50361	31445	27722	19620	17609	47344	51225	28644	26646	112444	114531	37036	32411	30633	42364	28048	27965	46910	55379	36503	41636	36605	35830	13352	12495	13440	9974	48142	50501	102154	81520	69427	55565	42553	38805	24568	26110	30277	26885	41881	41410	52529	51364	73510	71920	25392	17214	26787	25894	48477	50028	40413	31548	32982	33835	74964	30788	1	1	37187	21013	34516	71945	33548	41696
C35 H55 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25467	16526	28553	30187	75965	11780	45639	37537	1	1	53657	28987	85367	27702	25670	15283	21191	12761	17328	15101	200015	158450	686985	322589	91858	31737	44657	30027	1	1	1	1	41519	1	1	1	102951	25522	143889	22765	58871	30492	122758	106276	21888	14975	402153	43206	1	1	179910	82454	16098	17946	131755	25403	41902	42994	49701	50627	65321	55905	42894	44721	26425	27014	59673	60212	66603	67658	75346	98348	54377	53556	95283	104681	51466	44756	35151	30687	65828	82463	90285	104372	67480	80216	28094	28877	70954	69854	31811	28251	57265	53183	48376	46925	97296	80300	33680	28842	106851	95737	99333	99392	39647	40963	1	1	1	1	43531	30126	20426	18451	1	1	122133	78591	1	1	1	1	1	1	1	1	1	1	26706	1	1	1	1	1	1	1	1	1	1	1	1	1	97409	1	11489	1	1	1	1	71521	1	1
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C16 H26 O3 S	142665	359639	247079	814819	140625	359874	80010	133230	197790	131069	127395	206993	163595	137112	293709	298069	219709	199877	102297	159065	363682	183862	75275	202353	92498	100071	81923	152041	342979	183678	155569	144564	79257	89826	156130	176993	246809	307786	142601	255324	252492	299581	140876	143581	149649	142687	208260	303592	203843	148629	150233	183609	305762	173045	237504	234797	178658	272305	23471	18119	21542	22949	29001	26955	30345	24968	25310	22358	19943	24719	18234	27990	28433	26921	15489	14488	1	12881	17070	13424	19748	24809	21769	14119	17496	11465	1	1	1	1	13673	1	19209	16470	14163	15533	21105	19889	21508	20651	17499	14578	18141	19553	17210	20183	21761	19770	19905	21384	14239	16506	292252	17964	24724	25836	23683	27837	28351	30525	27404	25886	19046	19651	21295	23500	27707	14776	19688	19151	17321	14348	19841	25971	24751	27735	16583	1	23136	27869	23580	23727	21773	22116	28081	23007	21129	21878	24065	18290	20821	20801	21299	23135	20662	25407	30721	26812	26493	19178	27640	20293	15471	20078	128554	101408	94805	107794	96595	176594	115759	130911	96645	86192	111665	125696	97749	109514	56991	105582	92077	141189	59779	92805	82577	59998	90614	70324	81353	107000	124848	98910	53534	89320	44121	88599	207567	83399	76807	78478	146151	144752	106306	124548	100185	135661	116098	95468	151344	63437
C17 H28 O3 S nullnullnull 10.5040245	533967	946836	989712	475234	998171	936883	967567	383602	930053	526149	476346	927049	568198	1115922	482175	546275	1044358	511560	509505	883136	922222	902219	508801	513996	1052502	1268756	540981	588496	888562	588815	908044	937063	1009499	953811	1218287	968593	978511	1182027	650611	1006252	922594	1058692	1038108	1176606	573863	617737	1305757	708268	632254	1003111	603764	647044	1059287	1058226	710186	987939	672939	1359630	90641	112911	112196	115067	103801	106689	104576	87585	103361	113556	96219	114658	87427	111572	169532	162200	60635	68195	46574	48604	62157	71096	66989	53264	106467	96041	56590	67264	24123	32270	39351	38450	33692	35535	49934	51726	52014	58320	54204	70932	79845	84914	51294	57761	54839	57117	68610	60169	75900	65139	69767	83060	62187	59825	1108426	58936	76583	99418	116251	110264	92570	103816	132805	119701	107266	80839	70669	58749	69848	88799	78387	86344	87293	86268	118511	68474	93746	76606	96395	71920	108979	70502	69205	75206	77274	113770	71642	89721	158123	157573	86167	76857	95337	78626	86694	108759	130544	95863	205016	141775	111569	65335	123725	89248	85565	110743	431282	220542	358161	511814	454107	470609	545256	464452	251988	390551	238328	246418	358138	255168	376144	402405	413477	484285	570341	237697	402253	339039	244376	251840	233587	265652	242616	364920	245685	243498	251113	362422	251103	536686	404522	219666	418981	402929	407856	278611	252164	442464	405128	488122	394992	244273
558.1433@1.562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40300	40465	18698	20223	44233	46658	1	1	11498	11423	1	1	163778	170551	28279	25321	1	1	24908	23025	1	1	70524	60479	230593	229959	1	1	266551	258614	55978	60172	62964	64875	1	7204	112659	106613	277687	283480	14263	13833	86273	81242	19656	20837	28058	26255	1	1	152947	154981	83953	85676	26018	38121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
653.3892@12.104992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39611	1	1	1	1	1	21918	1	68382	1	1	1	1	1	1	1	56416	48494	281250	179954	41260	1	16458	1	1	1	1	1	20837	1	1	1	85999	1	45454	1	1	1	51609	30123	1	1	61797	1	1	1	62271	23732	1	1	17349	1	31545	36765	55141	41575	20592	25481	45761	39560	17588	23781	52917	56972	60766	73795	38309	76125	39728	45169	70595	75114	59578	51000	37805	30069	60979	58524	54942	87548	58767	53010	33302	22310	54833	66877	18905	20847	24411	49651	35351	31686	28571	35197	27559	25548	19514	45382	33037	76594	35722	29751	13085	8749	12868	1	1	1	1	1	11803	1	55099	66433	1	1	1	1	33819	21845	1	1	9616	1	47850	1	1	1	1	1	1	1	1	1	15405	1	1	1	65191	1	1	1	14438	1	32152	109248	10250	1
C6 H4 N O2 S3 null 1.1355928	1	1	1	1	1	1	1	1	1	1	16199	1	8968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41133	1	97228	1	1	1	62658	1	1	1	76066	81814	86869	1	1	92976	1	59220	1	115764	236033	119697	56920	1	105899	1	1	49709	118387	123921	112596	140462	1	1	132000	131046	110021	104650	100351	144591	1	1	261403	468004	140826	106325	93257	82540	1	74688	41557	37838	1	1	67466	1	11058	9929	73189	1	28532	23129	731704	1	23271	25379	90029	35897	55568	62420	1	1	74356	1	55792	59249	85394	1	1	62738	77309	173598	97696	94503	99698	79830	39747	35949	1	51852	34678	32649	1	38210	30379	31664	53268	44991	35690	34470	39573	75006	1	38686	112953	109680	53507	89977	39828	1	33646	36589	46229	50673	1	102990	54083	58156	46899	81858	45155	41878	63700	35643	87722	1	1	1	49021	45730	35463	41501	1	48175	72433	1	60003	1	1	1	111401	114883	1	55827	49348	47710	78602	115244	1	1	1	1	60606	50774	44656	1	1	1	1	1	68389	56056	78491	55561	1	120131	71939	74939	113583	1	39505	136247	1	213355	1	63667	58593	62643	100499	52948
L-Tyrosine methyl ester nullnullnull 10.050802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1154537	1160112	1133256	1164754	1152695	1155959	1187138	1185985	1201217	1179493	1175971	1206679	1203586	1176356	215679	205075	191540	197032	197243	210457	210153	208439	215415	203684	221765	220124	199704	216118	219770	224675	219223	247736	242432	241908	380745	542734	573300	596770	610186	607011	596759	635030	635594	648381	654248	651193	686245	676004	678995	666047	685447	699434	673149	673141	3.39E+07	854014	545338	547731	524412	539130	547162	566263	543284	571151	569058	577790	573204	591349	585033	586501	606194	589207	596455	598301	630440	625349	644130	628472	648764	634018	644817	644676	675707	691500	659123	661247	688956	674352	692298	684832	677030	685764	716263	715651	715518	720055	751438	768067	744310	769953	767746	783140	800079	802299	777576	778456	826104	834157	830093	829813	855040	882732	843235	866189	836030	854509	878995	883331	871349	864536	1135910	1192473	1169715	1196750	1229232	1189273	1190536	1200498	1196500	1236101	1220695	1184894	1193234	1185263	1214760	1200315	1179260	1174019	1201774	1181676	1183309	1208510	1249502	1210673	1214701	1201348	1198676	1214111	1244052	1238422	1228872	1225183
C5 H4 N4 O	71439	52757	64840	70794	123016	190017	126713	70939	88356	88964	93071	92463	124895	113870	54930	60372	61008	33863	104087	100253	30160	28179	38189	38429	92641	84301	58707	54373	90021	49458	31729	27177	30272	34621	22266	20885	15178	14495	17935	18396	68774	65776	11597	13879	29601	29517	23673	22284	16707	14920	17270	17523	21219	26639	11841	7975	29412	35584	127640	128026	74914	78942	95245	95434	54898	53453	54263	51079	59999	66131	199961	202825	107499	102161	99345	93920	93741	81994	87728	93133	231479	205218	332587	323404	63740	57991	258888	270006	209979	187241	237513	243563	81182	98769	183279	180687	352827	365979	78100	74956	113988	125176	107200	103693	99669	99119	42391	45382	287102	303775	172688	172595	118445	143329	156098	191308	43227	57731	139748	112331	83026	83540	77763	72382	108611	110003	75136	77468	58683	53361	128281	132588	88194	92650	305188	308820	181022	155234	86453	85984	72043	74749	93935	87543	192640	191351	59570	59241	82359	89449	52897	42156	103984	101579	156888	154725	46832	82662	153006	158718	51462	59355	115863	123341	503589	496211	714889	712859	600514	594288	455308	441635	903996	925786	729975	712502	1118578	1096017	608769	606110	788475	779183	441239	445423	1442062	1482493	1249085	1226079	726414	704875	1475667	1452390	1329746	1375940	557346	546319	973543	967939	489889	493608	1315528	1300801	530617	531079	1247798	1271611	1867998	1912885	985234	966530
C9 H4 N6 O4	35463	34431	33547	30913	22724	20903	32153	29914	29604	31958	19108	24421	23166	21940	34853	22740	37892	37067	26442	23779	26752	28718	28535	33621	19956	19917	38246	33220	39894	38291	24180	24426	23602	28892	55938	62317	57722	53969	31660	31223	35936	40932	63703	64396	21218	20098	81455	73959	21718	21292	55657	56838	81391	14990	12210	15345	78630	77646	336489	332979	52908	57345	57898	57766	43567	42816	33338	34735	196263	197674	48674	57671	177688	168742	87337	90544	126266	60411	145723	148924	383467	367112	226616	211181	194980	198089	516938	508320	391799	406997	70928	75811	152554	176483	128015	116945	145789	156067	35521	32203	121118	131297	169357	178529	150728	140045	129772	135475	232082	238542	251316	250688	278045	206055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Asp-Phe methyl ester	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7480	31097	30883	1	1	1	1	33121	32212	87776	89858	8286	9401	1	1	9002	8078	19069	18272	89879	94261	71262	68332	57511	60044	155557	156886	106118	108970	27401	30904	1	1	158099	154929	101450	105980	13778	12144	267005	254385	1	7969	13221	10165	49798	58372	9376	10301	18504	15597	22433	12998	1	1	1	1	1	1	1	1	1	1	1	1	12124	14563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11519	14766	1	1	20071	17436	1	1	18562	18180	1	1	11370	13587	1	1	1	1	19187	18180	1	1	1	1	1	1	1	1	15373	20710	1	1	1	1	1	1	1	1	1	1	1	1	13677	12993	1	1	1	1	11453	10807	1	1	1	10136	1	1	13800	13359	1	1	1	1	1	1	9670	1
(S)-3-(Imidazol-5-yl)lactate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80152	71990	67498	60646	64800	55969	42847	43857	34900	34040	60198	59488	103632	111342	25466	25171	31716	36818	36504	31647	39391	40375	107964	80427	87735	86644	59677	63904	140463	126137	84635	84102	97750	90617	52746	75087	102380	104735	104735	109299	45542	44751	86956	90893	54668	48954	53780	54960	37766	38630	64503	63334	81403	77765	85948	71942	1	1	1	1	1	1	19940	21735	1	1	19890	16885	1	1	26190	21558	1	1	1	6834	1	1	1	1	1	1	1	1	17496	21780	1	1	1	1	1	1	26856	26466	1	1	1	1	1	1	1	1	50931	47068	1	1	122340	111787	180655	184334	31808	27969	21749	18646	28652	26169	67059	65695	46761	46527	359930	355582	167188	166103	153639	154567	118851	105919	33504	36794	220370	216277	160664	158844	38289	34462	25887	30103	33069	28642	26843	26638	108179	113962	13946	11980	91000	93397	166780	173544	36529	35689
156.0787@5.104239	62814	83294	31052	36308	21662	21628	30936	39221	38528	28313	28240	39009	43053	61114	61504	72037	40660	38586	47821	45549	34645	45641	32067	41690	26735	30412	34356	22145	25010	19737	29999	28464	29592	32121	25042	21645	27411	33102	20524	24222	44758	47987	24917	26131	28166	29632	34171	32070	1	1	16553	15259	44398	30425	1	14587	49544	48392	19990	19251	38507	41407	14934	14768	27135	28324	10237	12585	18254	27367	27667	28490	29350	30436	31002	26329	33551	30188	65094	56999	51091	69645	76998	78987	45056	38276	26273	27089	28364	34033	25138	23498	30123	31638	40411	40701	70704	74908	60028	55389	61305	67009	39891	38544	55370	50138	20319	19346	71470	68451	32904	37438	56670	42181	59830	65128	56681	55940	62456	56221	52842	48186	33027	34228	43683	46773	38466	39787	43330	46278	38276	39309	53605	61420	74630	79510	71464	74116	38929	33248	44229	34970	33769	28891	54516	49425	29306	38909	27927	22243	55345	59119	46235	51402	98406	105676	32207	30140	74939	75817	36293	36827	44106	47242	14345	9566	16340	31280	35296	30591	18414	21371	33914	33151	21154	14814	46061	54243	24915	1	13280	1	11298	31135	40661	34566	67910	64080	20654	21400	23365	18314	26838	25555	12662	16254	28287	30712	5940	8172	28069	24037	10963	27719	15813	14853	1	1	37022	33428
> limit nullnullnull 7.669425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32725	65660	144832	60777	116803	34706	367688	384584	74125	27531	1	1	90040	1	29719	304593	1	33395	26669	30317	1	183971	20390	94109	92348	113373	1	1	135874	20288	59802	169786	14390	121893	1	1	139544	50092	141389	32931	199874	204488	190753	166455	139517	180003	95066	1	15027	1	141054	1	102780	160738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.8771@0.84026563	193043	192628	202043	213165	131531	119627	220289	223545	188313	193003	138660	137796	147735	155804	166677	166074	188370	184081	171695	174690	109191	108837	242567	246347	158108	163899	164079	160872	225759	232420	39528	37926	46170	35980	38154	36916	34216	41921	50404	44118	44774	40632	40890	36900	37410	38994	41054	43713	35745	26671	30957	31912	48519	45661	41701	32787	44140	45994	84870	84646	87554	91328	174603	170617	72120	70007	71085	72088	61667	53853	175271	169022	120044	119206	74329	83793	71255	40992	39036	47301	94164	108821	111992	128649	53188	52515	202047	215556	227973	236007	237615	243290	256289	257604	300439	292203	263879	248795	101853	101294	251871	257316	146878	149419	139665	147370	64565	58425	145884	140515	116547	109716	212913	157309	11368	14961	10923	9519	23216	24029	12460	13729	6723	7779	11876	16422	12442	12755	19224	17870	14095	11044	19672	19436	14042	13153	14393	14633	13071	16471	17617	15181	15313	13857	8761	8551	11171	14053	7464	9533	13824	15240	11298	7528	30121	29142	8828	6977	39175	36041	14902	14356	6979	6784	22805	21043	18276	19836	23321	24763	9415	6711	49703	48660	23788	20984	16951	16071	20716	18492	30606	32723	13544	13138	60044	59229	88124	91017	22663	26833	66902	67359	68759	73482	16907	19191	67114	65886	19121	18025	55171	54336	10042	12240	43411	46451	84215	84250	54040	52505
136.0294@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	152180	15772	1482557	1382092	1585058	1450609	1422086	1369410	17115	1342472	11689	6119	1548796	1499480	1412183	1453320	169274	168206	196636	170380	959984	1017910	931286	964803	1036667	1161663	1150366	1291942	1211216	1348941	1376443	1399186	1680762	1535923	1566792	1792999	1781890	1873464	1879522	1966103	1735076	1754164	1887052	1835673	1889264	1883198	1930010	1919317	13079	11568	1521173	1561488	1553556	1508183	2105808	1742547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 O6 S	43563	46919	49588	51471	51342	51873	50804	44339	59974	59377	49939	53924	48684	52333	38257	40040	63800	57569	55461	55519	49786	52232	36125	50316	56776	63894	47100	51674	49554	46364	64842	65536	66710	65874	67699	70104	66488	65958	61421	65819	66056	63829	54886	52514	46775	47874	49802	53361	49981	57240	31924	31661	58552	57544	61413	62211	70523	77190	49944	53730	49695	49084	56632	51800	58500	57688	55194	53327	63933	56772	52474	53305	41697	47299	59290	61621	64871	72564	49926	55946	46934	35469	47433	47007	52178	52742	45754	44758	45552	47462	47831	49286	30197	38043	54304	57609	53567	60604	53900	58080	57241	53802	52769	50966	54151	56076	61294	61493	47556	46005	68338	68492	70954	62982	48873	49850	60541	58721	61808	60255	57299	58746	51409	51810	26102	56407	54817	55792	43312	45432	58383	55632	48103	50654	50312	51574	61111	65263	52655	58527	64645	63689	57913	50242	64619	66962	55859	56523	65611	66452	63327	73340	61242	57923	47449	39458	54015	53876	72269	62744	60010	55139	57589	51427	34927	29514	33629	34492	35032	35314	43492	46529	40566	36867	37787	42450	32945	36958	38824	39545	41095	39835	33815	36724	41316	45183	40356	38501	41448	39438	34996	32225	48271	46950	36556	34086	35956	38478	41242	34455	47987	41652	37011	36165	39426	38649	32187	33139	35532	34901
2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate	29134	19708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	259067	278287	202629	203816	665256	742835	444394	427140	228523	220152	129792	137643	490852	517347	54562	115307	216697	222065	283166	275992	373131	389560	559645	575819	751810	768467	211162	207242	1013348	986297	817201	856661	519002	521495	23124	134298	934580	949985	811590	820172	415916	398700	1081126	1087619	290319	279723	314993	267743	217574	212731	265725	288763	192454	185180	255628	287450	48493	41300	52186	75585	86056	75778	94022	83049	30039	46327	52232	47258	73736	69880	75256	75450	60957	70168	67261	68253	50102	40476	56636	28899	38651	48100	74336	47341	33702	59413	17212	22328	57519	62298	90877	92837	80279	83177	88520	91198	93386	83473	55758	52114	109762	110998	67531	70978	107022	105316	218901	212409	164103	174213	263277	284385	163701	159748	490634	416389	144382	149054	340650	367263	138253	132411	216319	229780	173246	185092	504253	546849	395651	416725	235109	235782	763797	770103	440168	447622	222072	213762	369010	369888	150831	153945	443215	444772	242815	237527	401484	409981	558400	553468	521301	500871
178.1@8.999736	29533	30593	24692	16917	17234	13085	20010	17663	27446	23109	21066	19721	24287	24333	26213	25406	19010	23244	18805	21960	15617	22138	21686	20091	13986	19948	19673	22658	19748	17620	12737	8452	30106	25444	13725	10493	9827	9111	15529	15529	16973	25730	16378	17160	28738	20690	19636	15092	19486	8714	14404	14875	19528	18222	8913	12551	23725	31502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15124	13111	8799	14533	1	12469	20922	16885	26693	25895	25973	23009	11256	15822	14258	10391	15161	16651	1	12140	10409	9468	17293	17546	24387	21292	12013	11378	19932	21445	1	11709	14345	11224	1	1	16629	11881	15865	10740	575264	15628	1	9856	10934	9155	1	14498	12036	11254	12585	11405	9329	10396	9630	10745	9912	12536	12044	10771	14148	1	10547	10294	11020	1	10417	14525	11429	9149	11037	10177	9395	10152	1	11269	1	11872	1	11259	9432	12721	14772	1	1	10496	11476	16061	10813	14899	11766	11117	11471	9972	10552	10567	13556	10099	12755	1	15359	12077	1	1	10048	10053	8921	1	10989	1	9553	1	12738	13684	9368	12943	10704	1	11115	11003	1	10436	1	9340	13849	1	1	9194	1	11029	9403	8681	1	1	9621	10081	12315	11691
228.1725@9.9926605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11139	1	12545	81057	7890	16255	13987	53235	68318	1	1	1	1	1	1	64576	144289	139985	160305	1	52968	81482	41648	38466	67247	22074	1	1	25234	132065	1	1	1	1	120993	23643	183092	185969	174588	1	1	47462	1	57652	205382	56347	31523	193870	1	191202	1	1	483250	1	93709	1	73234	27954	80824	1	1	30996	89649	1	194447	102225	1	1	1	204078	148298	168373	1	87305	209483	1	1	1	1	1	44362	59447	51798	69314	16851	82525	1	242465	1	210264	1	1	1	1	215770	225091	36569	233735	60189	257416	29684	38866	1	100602	1	1	191002	175174	262787	241658	34371	222169	1	70479	74404	105221	182318	202468	55467	224855	245542	48098	51757	1	26826	70482	1	1	244669	267180	1	89820	238660	1	42012	52095	18913	254169	1	78223	150707	56456	289001	231133	60858	185269	241528	59955	265028	1
221.9955@0.79179984	102050	95958	83519	85393	78501	90463	72537	67679	116576	116464	85835	104794	109430	88266	90801	54213	127079	100691	85597	89744	77597	83110	36223	37648	79779	66508	49725	51632	44209	37972	152971	159016	144906	147305	150175	153934	143758	172904	106901	107102	138357	134959	140433	133771	71390	69239	98689	86104	166236	139386	117481	125338	91782	90075	157246	155714	154842	118340	182889	181546	130475	130434	154806	144311	142405	143012	159216	158993	133320	137710	171860	150639	125773	123327	171396	174760	171055	141294	97981	90368	64587	53293	127713	116893	143454	132354	167859	183338	144320	139105	140549	171537	31234	88055	109628	107341	104282	86427	112071	106755	94951	83171	107156	103047	111968	108369	120631	122045	95829	94366	113608	108704	132564	119798	71374	73613	85253	87836	86864	83062	90496	89961	88589	83747	39781	84193	73540	79290	62860	62192	78724	79834	67724	65071	65719	66936	93690	94526	76248	78154	89610	90580	73968	74786	94799	96149	79260	78134	89865	89035	83966	80992	86521	79888	36789	32093	79304	80459	81355	78504	64604	61286	68685	66955	37731	40765	41720	44546	43439	44903	66685	67441	51056	52939	57275	55592	46005	48551	40475	40358	40035	40061	45619	43280	50199	40647	55931	53480	51427	46894	37514	35375	84692	64473	43509	44498	48554	48685	43192	40741	57753	46771	66143	67157	45368	46924	36983	41938	39751	36697
741.8537@0.83699125	200548	195385	193624	186682	224914	212142	181192	181242	193472	201724	216336	211417	200842	204633	210721	208782	174444	186826	201232	204450	212058	207163	162687	169093	209779	210568	210771	209802	175782	182138	109259	110211	111232	114420	99474	99127	105574	100772	132934	133675	118430	119875	97192	97482	105956	100824	131377	128830	71909	72671	136398	134125	151327	148120	72348	71524	140617	145393	110614	107552	120470	117917	75645	76273	119820	114943	116966	126532	102263	102203	34716	33039	232283	230387	199712	195706	139617	45544	37014	41630	28559	37250	50199	67102	97739	109052	27823	30711	54504	56146	56966	59130	165669	168207	76297	76679	105631	111101	215189	215688	139614	141735	203956	209536	206288	201830	171188	176458	202265	199369	205128	197313	287911	219380	91078	90441	86111	83232	115444	120165	89849	89290	73391	68713	94953	96405	94542	90634	101281	101799	90486	85220	99733	100328	98646	101416	89922	88072	96925	99485	102915	103514	88108	88382	73266	75663	87737	89406	67634	72590	91460	94520	76453	77825	123394	121902	62548	62389	134982	135677	100116	90184	66843	66527	137536	143397	129588	126011	135707	131330	85834	84833	159361	168271	134917	139170	121905	117966	144416	139366	161006	162643	120780	115505	189354	186423	182458	184170	151168	149002	193897	191548	179474	185025	134213	129600	184696	181846	132589	137207	187410	186160	94545	93334	178571	183673	202591	205930	180521	184011
Crotonic acid	129940	121132	50943	58386	40564	29313	41234	31895	67479	70929	35422	38221	71552	72235	93974	88368	45745	50587	77049	70565	44528	47067	71402	62344	14764	27678	43810	47998	33316	30640	40183	34600	53255	63248	110182	107494	48625	52639	96875	93015	61442	65766	43945	46847	50322	54615	61513	62841	33956	28179	22344	25837	115559	123714	24300	27363	89806	95045	147910	137101	98903	105380	270131	20705	229922	238248	123533	119325	93375	90189	183092	15197	90208	88783	128007	129521	155034	171127	222310	223312	16298	13107	255961	260385	148203	154212	9529	45871	16524	20405	17547	18471	65138	66748	28901	26766	274758	280312	171855	169141	18419	21193	130604	126340	124813	117723	131053	139125	17633	111612	90533	88621	13112	17762	58309	60883	53924	52854	65577	64314	57952	58142	40395	44380	63338	59641	51533	56331	63258	70839	52189	49367	67702	68747	35478	72572	53561	62158	57741	66075	53863	52970	58820	50721	46097	43017	66327	64340	92513	91152	61906	63021	84925	91669	76646	77581	58218	60061	83161	79599	60042	65532	88606	95074	137931	133052	113119	112186	116551	115032	79593	91232	161720	180817	101632	99593	160109	166843	98086	100563	122603	115232	105999	110314	173365	175885	125969	132303	109325	114907	287633	269804	152812	155418	110361	117240	132106	127878	110467	108671	156740	153587	87354	90005	150881	144610	205245	222564	172076	177043
190.0434@0.96300036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83953	78678	79303	74653	49498	48586	41329	40289	38501	37186	16729	19537	53138	52779	58599	56325	72285	79293	61846	54443	77244	89252	44441	42592	50000	54199	27403	25947	61089	55709	87887	89510	49010	51891	26634	36163	54048	54219	77809	77149	106138	105990	112934	112406	71019	62378	71033	71230	17035	19874	168934	168644	98399	100305	86920	73185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.98@1.0167425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	217833	205640	138284	128999	50457	84135	145957	145095	181848	178270	124161	71130	23563	75455	177045	148151	255887	230846	267574	323372	110409	115112	102451	58016	147876	139657	113354	176668	74883	39595	1	55876	104028	80061	229937	207100	75902	70515	86263	111297	191618	203777	129935	116545	140154	105557	196509	188559	307617	260882	163262	160914	209241	227362	110644	155930	361285	356044	366978	395677	391377	354713	394132	400034	453490	415372	391619	446579	253213	350104	302277	283891	405969	381264	314111	302787	265148	285253	412309	410159	330386	304871	462692	429599	294082	313481	502229	492819	277861	379760	472506	437329	447181	444133	325924	373522	223708	201422	358140	372339	337009	326054	265567	309549	289600	336641	122355	131195	112003	146596	111790	107571	159097	178835	102533	94891	312741	246525	119105	112927	115649	164761	179375	134973	160230	160346	131762	109149	135422	106006	149832	189021	103064	129297	154464	129911	93348	175492	114815	102499	160918	147990	386867	148031	152402	158524	155497	127018	201104	283579	127106	105172
C10 N S3	201534	190810	212162	204966	209579	214376	192778	187021	209171	198821	219128	211160	217545	219322	182787	179403	208126	205004	197039	197685	193870	188705	177632	171376	197629	206440	187412	186495	177078	180490	216064	209035	230150	220085	223715	219667	220363	219408	223112	221776	220419	212450	181435	206508	193007	189170	212356	199505	190639	201759	139643	141606	221633	209655	228766	214674	229211	238608	195363	190597	204557	210569	150830	161953	242605	234755	234879	241387	220761	212678	98740	96466	136902	125240	202419	202779	239120	296897	264869	268970	137522	130545	164845	156810	214948	210688	63506	68841	86960	85942	95362	93677	121788	106295	94249	95444	119228	118749	196515	194795	139528	138162	173901	168561	185673	185836	213819	208233	173511	173776	198097	191969	200078	205578	204468	200937	232244	236716	169910	173815	239400	223519	221683	226540	224649	227076	235542	223771	211971	215887	225708	230257	217193	215341	215586	222760	235485	236521	211417	214205	234819	240071	226450	223146	240613	247235	227702	227043	258113	257915	244322	249636	237700	242862	156315	161174	242591	229979	185115	184650	223185	230410	252692	244601	115176	110539	124854	122697	109696	106566	182286	182656	118856	113383	131963	130833	185393	190287	138391	135426	120682	125428	134424	136816	133486	125558	112320	112408	139049	133414	120329	118890	129626	133320	129350	130327	115529	114187	125363	129185	132960	132119	203427	199281	126548	126179	114959	127459	123328	121127
2-Iodophenol null 1.362632	1	1	1	47366	1	1	72691	1	1	53509	1	1	53166	1	1	1	1	22167	47673	1	1	1	1	1	1	1	1	1	1	1	152660	163313	157463	163618	169360	166786	175620	148367	121347	179367	178146	224552	272085	214957	178796	172335	179058	1	134894	146204	249024	160843	166429	186636	164081	114137	282029	170357	70976	68161	160410	223055	63306	72867	116653	130068	224042	237739	99026	105589	23224	20296	490869	842900	230239	122555	138497	116398	1	1	1	150847	42311	51586	86934	73775	1	1	58076	25708	1	1	1487510	228225	1	1	64876	1	1	137104	81269	1	142846	137611	155638	348805	179330	171711	225168	149138	149401	291462	322561	274268	1	1	32986	21690	20923	1	1	56704	1	38240	1	1	1	1	1	1	1	1	1	1	1	1	10203	25260	1	1	1	1	1	49241	1	1	1	1	1	1	1	1	27761	1	1	1	47206	1	1	1	1	1	16946	6468	131098	125038	138118	60505	141275	139405	135023	145491	1	123188	144660	139748	124739	139459	220095	115838	159689	142331	142129	160276	142593	154239	84646	104236	74461	155503	1	141786	141760	1	184928	157962	161596	135536	167815	127487	136677	1	226073	186130	139077	158083	71784	135573	169468	1
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26546	32809	37382	32592	35319	30798	32793	31255	28312	32319	26425	31337	35969	33999	36614	34236	42521	38734	31291	35317	47039	35823	42052	56998	38123	37427	42540	32687	42034	40575	32796	41664	39844	38710	32633	46459	51480	41504	59710	59853	40080	53116	43421	42324	54288	53718	44082	59696	46362	39837	40267	41126	42909	53235	2437819	49894	36817	39356	37703	33082	38093	40745	41662	38194	35101	41810	36781	36677	38001	37056	40146	34527	43341	35387	38905	38752	40052	39626	41510	41187	36615	38205	41261	40067	37552	39054	45749	39038	41440	41147	36556	39663	41884	40748	36704	37776	45841	42845	38184	41637	41177	40265	42033	43732	36135	37453	38147	39011	35343	31521	38834	38913	40426	42043	41568	36418	49996	39753	43960	41008	37690	35325	35624	36222	33287	35087	39898	32438	37594	39644	27465	37217	38345	37102	39645	38731	37981	33199	37930	34187	31987	34597	39686	35958	39474	36125	33042	33910	37963	30940	41075	38950
572.1558@1.0091977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	200442	197397	130017	131472	198871	193412	77588	74168	107138	108124	55172	54131	119091	124370	113866	110116	133055	126632	93754	91609	115107	115379	61797	57630	133276	136336	67374	68717	257934	254749	227246	225698	81306	79134	56054	60165	139001	135272	153055	156293	186682	191321	245402	244919	82958	88429	112285	108339	56547	59068	235040	241996	191918	190496	166500	134986	1	1	1	1	1	1	1	1	1	1	1	1	8292	8428	9536	9301	1	1	1	1	1	1	1	1	1	1	1	1	1	8435	1	1	1	1	10512	11504	11215	10784	13223	10922	1	1	8718	8979	1	1	1	1	10502	12345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H25 N O3	27653	26286	23115	25532	31619	31465	59310	59360	32385	32446	53740	52080	60660	62316	41889	40012	41183	34469	25799	29287	23159	25414	63221	69938	55266	55744	34057	33496	51600	53622	32598	33607	39806	40982	38243	36650	62843	61346	40497	38084	54100	59475	79987	75870	39316	40326	36981	39892	32634	32757	15060	14081	83801	83016	22120	24600	74047	74118	14501	14281	33079	36115	19544	22267	28195	24979	20816	20048	13942	14903	15225	16388	40825	35354	32604	30536	32813	31782	20388	17225	26154	23103	23977	27414	20721	23614	20227	18492	20595	19110	19315	17626	8450	12201	16772	15308	32269	30582	14018	11967	19091	20403	10116	9790	17655	15106	9728	10189	24508	24350	16111	16822	253446	23194	30790	32684	30827	29866	64796	64088	43767	45442	32956	37111	78583	76272	32131	34495	137920	135677	42847	40635	64842	70241	34778	33796	82150	81901	62327	60198	48513	51125	69205	66140	63892	61377	70042	70611	57858	57997	43655	40037	53822	57852	65498	65365	29857	28478	82862	84764	48361	46375	93955	98804	8331	8362	9594	8476	14470	14688	11866	12078	14214	18218	9198	11301	8960	9786	9688	11162	13047	13731	21686	22658	17692	19321	20195	19930	12130	12257	17952	18306	17615	17031	19776	18795	17912	19634	16394	14841	18505	18217	16586	17650	16076	16414	16170	19498	15031	14148
L-Threonine	114415	127079	123963	130972	82427	81283	116518	115982	103314	95343	75122	83585	78777	80289	107819	121890	115182	112723	92966	91338	71417	80771	128519	124931	96301	102461	113175	119513	154312	157161	41621	38796	42159	42858	30078	29447	24459	19799	67411	66651	29602	29777	19704	22780	50722	50525	53303	57694	19178	17893	17987	15887	63324	70157	7254	6514	39009	41185	97682	108413	128065	126400	206255	200468	94689	91995	104045	106407	118791	113620	276887	289907	98506	95202	143598	134541	86079	75073	127226	131374	249462	248804	162271	168715	126052	121768	362744	361346	260185	273220	289537	281551	117779	136182	296634	286804	236827	233364	147651	150924	206012	198898	151507	152843	216641	212480	108488	110999	162271	175280	152128	149836	292352	252742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.8109@0.8722941	168110	155748	164665	163367	219575	215884	140033	141956	157471	169178	221760	219481	212416	205254	175902	175292	147413	153332	170718	172218	217757	216322	132116	131346	189376	206171	196101	196958	155672	159933	381588	387404	384478	384255	403083	397530	414577	408198	387379	382413	363238	357181	413474	413385	379011	383758	369864	389456	408326	427901	262405	275518	383319	382438	475282	468251	352845	357844	134299	133604	156378	163385	59760	52823	207432	207929	197190	208670	241720	235809	33386	31884	134452	133484	228739	228585	187530	171031	134695	148959	48115	45345	66199	58905	224793	225839	24437	24820	34319	30372	33712	35882	89332	80453	35196	31159	48688	49966	212998	201830	69864	67000	136211	131808	151728	153634	290750	292816	155578	158717	181660	177432	147934	158998	339607	346839	388448	388806	230478	229102	365031	360859	426541	428886	361397	367185	362108	360621	355591	349635	357215	365812	352421	346387	359476	362958	383803	369573	355582	370478	354791	361915	372179	367164	410104	407425	378713	384961	443660	443149	374289	384690	421374	411406	218356	211145	442756	441698	188458	192547	329945	357225	423129	435765	195349	192482	226956	230622	192828	193970	369552	362852	166902	164115	229389	238877	352259	345995	270907	274613	237839	231714	288580	275750	202572	207602	152428	150513	268152	257425	190431	190135	181280	181161	270737	271752	168182	174203	272142	272955	211846	208404	484255	482406	219606	217897	186897	191480	204473	201948
C3 H3 N O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9365	9494	11793	16755	12981	12364	13272	12730	27015	39125	19165	12897	23981	8611	18009	11549	19096	16328	11829	17563	31767	10582	21985	21171	17264	17844	15349	16974	15706	18940	14023	13748	12026	17302	14069	25186	8959	14785	15814	13431	185897	17352	15271	16830	17191	15494	13988	19217	16309	15799	11812	20994	25942	17512	21534	14286	17526	35838	18983	18589	18797	19540	19116	9600	27595	22103	16266	17485	8757	12436	14776	18525	13324	19728	18061	18844	18878	20483	12792	13557	11501	15490	21662	20349	15542	16091	20047	16658	12976	18125	17670	16482	12842	17162	12788	11791	13276	16137	12648	13982	18337	16671	14806	15901	13060	12172	12368	10720	7834	9567	14787	14675	16475	13277	10062	14075	8579	10258	14514	16691	11838	11038	15918	12443	15399	15188	14099	14658	8017	9558	15932	10516	36619	10702	20353	14456	15738	11054
410.1059@1.295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45251	153886	231285	240541	254290	203621	196143	165918	91985	77560	105560	83346	64816	57627	34305	28937	1	1	9111	7541	6455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Theophylline	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	793021	790514	70127	64965	179336	177794	818949	825124	45756	46146	44265	704938	141967	149090	947973	872855	741575	740529	892988	755113	801769	78900	1554029	192889	139140	148358	44938	41316	269986	286324	218172	239393	205674	201882	441053	64617	214798	219363	174472	181185	79168	1106949	202608	214440	76739	73998	1335536	100799	33466	37997	1328222	149301	104215	92589	118421	118714	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253159	248700	239458	136658	96512	149392	151621	173629	271056	281348	178491	191323	163050	161290	289076	267374	354345	375038	380337	428084	235747	104216	252384	142586	281138	206062	259830	263352	75187	106723	118607	110457	211133	203813	361019	243052	202801	182646	206857	186243	259211	300586	254587	206492	277496	304642	389957	301463	325438	308115	228118	286317	256279	263322	205067	297781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.9396@1.7619772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	979561	1	1132327	1188528	1146658	133175	888253	1163371	1	114148	1	1099577	1433156	1	1411410	110107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	205107	1	1	749206	1	1	87225	821094	652575	1004880	1	73679	361889	1	1	1	1	1003643	415478	396792	1	1	400777	362316	1	393265	340881	1	1	1	1	67089	297561	305251	397068	460856	1	1	701183	516488	1	795185	1	1	1	1	1	629064	574799	1	231286	1	443477	579520	1	1	545422	1	1	418288	1	1	1	233800	1	1	1	536972	1	1	25937	160716	1	28762	21377	29912	1	40513	1	44339	41482	1	1	206526	130096	99924	143481	82383	199982	100407	205691	164692	115029	157510	145437	154909	236654	192177	86970	89438	148482	170400	1	141314	202111	198013	100927	123894	209911	215486	149081	160013	198085	223742
188.0307@0.97321546	487340	499516	518808	544188	390917	376822	523802	524550	443296	523330	381019	399112	475235	506444	530855	540943	463740	443926	521394	430098	342827	338739	737898	730435	384015	403703	496102	507248	550493	559702	38302	34875	53125	73220	39888	33271	52494	37336	29087	24312	42373	65177	56245	61941	81686	79818	57569	57863	24918	27060	1	11680	49902	47550	14288	14372	68621	79167	30197	27342	25552	36190	32432	22638	23036	29981	13929	13244	8757	8279	53484	24395	22893	27264	33468	30580	17414	32582	45647	30316	95209	90336	73023	46748	15433	39689	477258	483929	106114	94865	58459	57145	1	19672	139566	139644	75211	42967	40328	36719	82336	128833	29746	35051	14549	41541	8988	1	64931	66179	28606	31823	79160	49073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.3014@11.717003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28038	14120	1	1	45259	11259	16612	12520	1	1	12075	1	24974	1	1	1	1	1	15603	11677	77712	54487	451940	112455	34262	10944	14324	1	1	1	1	9494	20735	10813	1	1	43840	1	36204	9686	22699	12910	77891	41967	1	1	132779	14471	1	1	52632	20240	13746	14244	117270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
WWL70	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	174259	174518	191969	194432	242609	234241	164414	166626	178508	174061	155057	153647	253813	254122	105992	106162	121987	124361	151535	152182	180896	194678	236432	227136	225691	235771	149171	151819	176298	178277	186774	189198	215311	218351	136884	144641	238323	241957	241766	233552	129893	136177	222945	226273	188444	201696	204636	200747	108478	111282	173123	174004	178663	167255	225527	231181	1	1	1	1	1	1	8524	9877	1	1	9389	8514	1	1	8526	8016	1	1	10057	10020	6293	5853	1	1	1	6540	9892	9206	5663	7984	1	1	1	1	1	1	7198	7298	1	1	6660	6567	1	1	9969	12237	9444	9748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11834	13854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H8 Cl N6 nullnullnull 1.2480004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	256037	248350	314524	299034	715309	694062	169876	165339	267709	257228	267837	262024	1079082	1078829	123009	116764	296042	281321	208142	219824	320190	304697	755661	704962	688082	666174	227196	227241	1009993	1029888	787273	813586	1033271	998650	222167	199872	1139948	1160339	1021735	1043249	312099	307912	853789	859287	384536	386451	592158	583570	223696	240922	335211	334291	343549	337186	835883	588931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.3306@12.013819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13409	1	1	1	1	1	15547	1	18281	1	1	1	1	1	1	1	54902	38710	354089	104350	35657	1	1	1	1	1	1	1	1	1	1	1	38749	1	26024	1	1	1	47622	20422	1	1	150088	20871	1	1	40350	15887	1	1	37361	1	1	13828	1	1	16701	14218	1	1	1	1	13415	16289	15041	12802	20578	19401	1	1	31052	31926	1	1	1	1	16243	15716	25543	26529	25462	23742	1	1	1	15829	1	1	1	1	1	1	76247	59787	1	1	29964	27017	31190	25060	1	1	47897	62755	53092	38941	74543	43730	25401	15995	60655	19827	273871	231873	34347	15228	15137	1	51132	30445	17681	19694	40693	1	57845	19354	29905	28095	22653	14960	21682	1	26295	26683	58831	10596	22348	18462	304969	22770	11081	1	58851	21432	106049	199993	47733	21377
237.8728@0.86348665	256183	250605	259850	263105	307501	310781	246785	232600	260197	265435	295549	285888	283354	284780	262357	263370	263419	266909	262700	268314	308424	302194	204797	211789	277521	281669	283789	288786	229225	234919	423644	407524	422214	403858	417250	420248	413675	424693	394620	393661	407319	406300	409866	423882	412796	428817	404092	409771	448698	448133	259713	252684	393710	379990	456031	461197	382851	389330	207349	200656	216277	224165	116337	121622	263900	262976	262214	272930	259654	267460	84181	82130	169138	153480	250621	253722	258372	319497	247869	245353	102731	96007	127707	123916	253504	239855	60877	60561	66945	68934	71194	73446	110809	104956	76574	76229	98003	98992	234283	229878	115409	112413	180367	189741	193972	192874	273631	279365	194443	192057	220067	212670	208902	209080	77065	76997	72322	70685	46103	50838	68035	68958	76935	80712	75277	74715	70660	74095	80791	73193	72487	72626	72556	75048	78002	79626	80061	75449	72719	73491	74022	73703	76912	81100	74320	74616	74426	78935	83721	85342	70429	77798	77507	79877	54952	55513	91931	89291	46316	44463	82102	82636	83942	86695	48359	43092	50716	49172	44408	46211	62196	56290	43311	41348	47848	48971	61449	60499	56688	56582	42469	43417	58382	57325	35679	38722	41290	38237	47284	44368	36103	36317	41832	41257	56317	53933	41969	39453	52786	58158	36583	35611	67044	69029	45581	43125	30538	31228	46386	40037
3-methyl pyruvic acid	53979	87944	120281	89782	74158	50763	128616	119014	144497	152624	85632	92308	75562	104895	105581	78116	116133	133231	114152	126301	45442	71767	117490	119536	91155	94340	94435	94506	134778	117231	260753	246612	461473	464552	471048	494821	239548	222875	874567	851412	252671	255279	286411	301148	282620	314968	517701	531489	167530	179252	86063	102080	804067	803467	131071	136609	614862	634783	154066	157794	109829	116308	104530	102730	69222	59586	64739	68636	26929	25472	106113	105152	102658	95334	99520	94537	88897	89549	110906	114792	70291	60521	72037	104601	33933	34230	180183	179355	157631	160290	83845	89850	48446	68580	117709	124250	128997	135325	152605	157759	188036	193615	87467	101823	124750	117068	15559	23956	241587	244705	149281	144145	121186	115289	65985	62682	79789	78602	43932	46236	70711	65608	30941	34358	88313	83605	66106	69822	109269	107788	78365	77633	124065	122374	86958	89288	70080	74274	103854	102167	106184	111992	111195	108834	50920	46294	89751	88987	35241	31569	82085	86782	55330	49364	90138	89686	41873	38292	115017	113928	123417	114272	48316	44785	47262	42262	41951	44430	49137	47767	34616	29329	71345	65312	49855	49616	80033	90235	51511	48460	56431	58819	36943	35400	77726	75220	90767	95676	50157	50223	83478	87067	89244	85913	51324	51395	71359	81052	49233	46079	70801	71477	41730	39045	63602	64998	105704	99895	85933	77316
C6 H9 N4 O3	10207	9948	8298	10222	11004	10838	6733	8095	9259	9031	10204	9807	7756	7687	9193	6233	9047	8490	1	1	8555	10086	7038	9575	12263	22330	12295	11556	14343	17729	69476	62227	72286	69332	39358	38699	30990	25948	47169	49802	39867	45193	31642	33967	70975	71778	76267	81448	26547	36148	12218	12714	52665	50503	13756	12295	54681	56223	15657	11579	11766	7890	10316	13537	9892	9334	8351	8526	10016	9835	11199	11200	24883	20300	26817	29308	24097	25678	41313	57255	32636	27792	22932	34102	26654	23992	32088	34621	27760	35336	36183	28866	17190	32751	55305	55175	47382	45120	57455	56519	52926	50245	32409	33496	50685	49359	23332	25715	42146	44195	39143	38640	33200	56079	17197	16932	31708	31492	27002	30503	105122	110063	20720	19851	27747	29957	43959	49005	27007	26336	31310	29729	33800	33807	27545	27403	30159	26426	69225	78668	34383	35599	78964	76270	18618	17790	30761	31498	28299	27474	24263	26245	30228	31257	29576	28675	18781	19137	36045	34486	25312	24933	36112	39003	35278	35335	49269	45348	39631	41190	41706	39775	131794	133717	57038	59194	53496	51540	35966	32352	81038	76711	25255	24114	100881	98541	144100	147228	62210	60515	102599	100880	141250	146347	32401	30554	116967	115730	38457	42145	85133	78825	49485	48259	98682	99482	100357	100816	124340	121411
100.019@0.99160093	45650	49368	42734	43734	56622	60848	51406	43749	57779	53764	56999	55888	57089	50976	38605	36118	67915	60841	47789	48869	51740	51786	1	50432	59333	68657	49956	47933	9255	39634	80662	81564	78848	75742	79579	73473	89364	78838	47103	43270	81669	80956	65753	64545	35425	45296	39408	46048	81326	87801	66302	64093	62338	66983	105776	105563	87750	91284	132195	139272	144950	143493	158773	154335	351747	356784	142430	150962	125141	132310	203343	195105	147290	141879	156450	151419	298755	467251	462907	496062	183423	300182	541612	358041	301979	296704	412707	426409	590665	256397	145932	136677	113444	136208	191582	186051	358669	342010	251387	243572	382793	363607	202700	201773	202351	204790	135912	131997	204611	202682	163092	152529	260011	243568	49632	49794	54994	56582	48190	49736	49501	43576	31876	36991	30361	30883	60203	60073	61205	22661	43005	44047	54627	40212	61199	58799	46170	44663	39095	10133	37587	28721	33807	48252	61744	65375	49282	35241	79286	44351	44969	83152	21598	57449	94962	68292	49505	51575	39671	58130	56270	51198	110066	103303	46830	43014	24712	25346	92426	116940	64615	63098	195701	196011	32236	33047	79915	77342	26494	48493	29325	30176	37073	41001	116236	116222	100538	105636	37082	36014	85428	87486	68040	67757	30092	31369	70447	67321	21634	22723	70320	79929	130732	127754	138946	107330	58649	60469	174671	173644
247.035@0.9360005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	203972	216200	185824	183157	207774	212849	224688	223067	235402	232405	207651	201996	189962	189528	187149	171233	237809	241456	239399	251195	188648	205087	86913	81717	168243	181665	187420	181084	124280	120898	134006	134319	161578	168746	158392	153834	205183	194976	220254	230481	238927	241311	208544	213070	215649	219873	241135	247846	281592	282078	169440	173560	240639	235312	261094	291122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dihydroconiferyl alcohol	171701	151826	120704	115903	85235	56236	128071	128388	116940	122304	65007	112134	165554	138611	163029	124526	142920	89522	115753	102249	90708	98302	137841	58394	73781	80181	74627	60919	148254	128284	113500	30466	72981	67189	36586	34717	34347	46978	68329	71111	57544	103739	29033	102367	104756	72142	106912	98368	1	1	94584	105781	176269	150515	1	1	68863	30291	1	1	67443	92383	44736	33647	68808	23035	1	1	59631	62600	1	44435	112323	113132	60238	1	1	53182	168935	97678	246561	180195	149894	152423	92302	104545	62683	77093	81223	87881	54861	62115	129643	129339	111386	75360	145431	141908	68346	96061	151315	177775	71811	82026	126402	98846	1	29120	205680	256576	143221	72979	140357	170781	173300	171088	126083	123676	175811	170517	120759	111549	93239	99351	129509	124073	74157	80043	108757	112229	80357	84077	134173	129705	204376	147701	182775	164355	77931	79563	58074	67657	63751	80961	117905	122479	66205	53908	76048	44418	123086	87783	92829	101386	344524	311813	96438	67318	150297	149515	88684	64512	109574	114943	58440	62851	65037	59115	159246	137748	50684	47421	102119	112348	83630	85938	151403	174194	53786	54072	29788	1	31109	32490	58944	81451	177910	154671	112614	119045	24092	40434	42493	34517	73561	89014	79979	64816	36482	48001	98613	29304	34892	34792	37314	32901	1	38471	58801	50933
417.892@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69560	80287	68893	67388	128947	138462	63165	62205	57300	61873	48595	50354	147605	146419	81301	73045	50393	61003	54339	39143	43065	44737	77747	91810	88348	111900	44110	48809	175714	186790	181322	190424	181080	195339	157133	167441	219887	233191	189484	192441	74336	74214	182591	179170	104893	110745	99925	103384	45622	56696	93985	105935	93062	83242	150509	114312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H46 N4 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13417	13195	10009	12937	11654	9853	12147	11749	8911	10419	10466	7791	10141	9243	8490	8894	9048	9189	9161	10805	8678	13957	12733	13595	12499	7890	13060	13128	11570	11100	11302	10770	10972	10076	13603	9398	14527	11197	13844	13296	548824	13663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20477	21899	20967	21396	19981	19463	18393	18659	15677	17144	19702	19304	20280	20250	11989	9767	10258	11402	11341	10238	9706	9865	1	1	9513	10342	11033	10788	11867	9587	11406	10481	8953	8918	10000	8121	1	1	9971	8846	1	9916	10347	10180	1	1
375.9133@0.8496305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	159116	154032	168716	170604	102689	102122	188275	186863	194178	188248	189360	172564	53120	57576	154134	150033	198799	201619	197915	189086	129591	141740	74469	68998	83762	94605	167247	172518	44529	51055	64025	69468	68434	70088	111728	110836	83327	88469	97287	97145	181391	187357	106402	114280	154635	169430	162951	167105	211561	215142	168434	160416	178384	180682	196131	187114	220231	227725	243934	239808	201887	203476	227706	233001	244456	244063	229571	231012	238800	235805	227697	228265	229551	237238	224143	222664	225360	223724	238259	232086	233492	231284	249452	245972	231889	231773	253801	254143	244001	233688	265701	248480	243262	245006	246421	225969	173913	180343	239874	246288	188188	183574	223227	225653	243886	254067	148544	147440	164498	170105	144966	147940	217447	222613	139896	139399	171467	167384	204602	203325	176139	180557	167151	167304	178765	177776	151495	153253	137552	127564	181231	172355	148073	143119	151819	146553	177080	182972	141025	144905	185413	174926	169700	160056	246922	237080	159617	163981	140399	144781	154035	156136
C29 H44 N7 O12	66486	62399	17430	22187	23391	18376	14999	11954	29101	22376	32201	35049	95615	40617	93967	60987	246126	61825	65598	33723	42757	54096	13581	14082	43709	32049	27990	21173	17423	15995	10207	11961	13842	14075	16366	18302	16519	17561	71870	44983	14117	14162	16698	18399	21493	19686	100524	37971	23677	22018	8211	10139	69261	25345	28371	21167	19780	20476	17255	17530	16152	13889	18205	10722	15294	13884	15948	11920	22980	14027	17375	10926	8891	6975	20523	21064	13405	13627	29828	25259	269163	91054	25660	12408	19893	10490	7367	1	9158	8327	18240	13307	9370	8824	30069	14701	28493	15393	30613	27269	35534	18654	26828	25580	186644	34740	16525	14625	30213	18910	22547	21290	74923	18834	14827	21155	24872	24597	28335	25648	28892	26326	22504	23715	23752	25214	44793	47857	37275	40078	22496	20925	37619	41343	21996	20748	33819	27194	29312	29152	39846	47934	30529	29708	20077	21349	32468	31639	25967	25520	26869	35122	29247	28372	61984	51120	26114	24405	32993	34400	43232	40139	29570	29219	48555	56706	47261	39495	24354	18699	19673	19116	22495	13255	197586	170255	30085	25391	12631	11046	22415	16960	13818	15161	12475	9108	11264	9220	13552	11865	9915	9770	10082	7870	14352	15240	12496	8589	13635	12413	58988	8758	13165	11995	16292	10907	25460	46230	12362	8704
538.0142@0.89100033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11046	1	9048	1	71207	69839	1	1	7704	7484	1	1	123612	121900	1	1	1	1	1	1	1	8794	67368	70459	38853	44746	1	1	238036	236413	138978	139985	101180	100675	12101	12510	128609	121284	81882	63412	1	1	40240	42179	9221	11702	10658	9123	1	1	1	8791	9383	8978	9838	9873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1901@13.383155	257556	271840	131542	119875	113399	82102	99211	89374	203247	154760	210500	138783	317562	161923	334345	738775	297039	30774	320868	2524463	457261	242221	137685	129253	149352	99470	104011	84625	86950	72512	84503	45262	54222	62514	53303	50620	54449	59029	320272	270949	69837	76155	56610	81753	83642	97941	253771	137054	91694	77659	55945	43983	319583	115840	55404	69665	87745	80059	30758	16059	18068	22782	40807	21033	31651	28285	25177	20462	22518	21194	50611	30004	31109	33909	24990	24651	22648	23607	8270	62019	152689	2204785	26118	13373	53219	32769	23907	19907	31434	32086	51698	19622	25934	30644	72441	32301	7228	32413	10573	27720	16227	55898	21869	30299	66697	8681	27241	15150	73795	62340	24801	26669	48559	24027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
689.8442@0.8397312	201473	199408	200217	197169	153096	157142	207700	205684	197488	197398	164837	163859	170518	167003	190849	174652	191984	191607	184416	183298	133176	136815	222526	220286	173756	180348	176941	179506	214734	222533	36664	42335	38743	42297	36159	39626	33949	40595	45099	46201	42160	42268	30973	38309	34476	37092	42810	43886	31019	28047	36195	32371	56528	51784	30367	30548	49038	51380	82691	87680	87885	92961	122626	121488	79831	75346	78327	83567	70383	66034	74906	80327	150464	147299	102513	108301	80818	28873	32191	36382	50848	62767	79843	87085	60747	70691	81470	89907	127400	129882	135520	141267	210725	227787	168195	174436	185440	181765	131910	126845	202733	213248	166569	158612	164127	157866	75079	86533	163549	151649	134380	133978	239668	178338	23004	21454	20258	19147	35162	35270	24098	24671	16361	16197	26539	25909	24006	24362	31458	28048	22764	23351	30340	30146	23159	25602	26216	24436	27281	25056	27289	28898	25364	23791	19271	19498	19986	21249	16513	14892	26110	24395	19377	20174	42723	43312	14008	17187	51532	48857	24453	25341	17601	17411	40274	40829	30974	32970	40467	40311	18408	17619	71569	70628	36635	37468	31528	33683	35740	34670	48437	48457	22518	25825	85400	83607	116981	116538	41934	43386	95592	94119	93004	95635	33626	29320	89403	93820	33175	33758	79681	77183	19348	17935	72014	73627	113499	109706	78876	81273
C16 H2 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44740	26199	33976	29144	126745	127236	17345	12699	19164	17072	22574	21231	189125	191388	19142	18641	14294	14094	23256	15196	33763	33935	141401	142078	92639	99083	22440	21075	293031	286913	184948	187337	161454	155801	42599	46128	188394	177498	120024	126235	18756	19862	98239	99424	39228	37746	35243	38241	13398	14096	39744	37099	34844	35811	44088	44347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
339.8943@0.844906	153879	148728	161159	169409	115848	122357	174496	164781	151400	147992	125262	120577	140081	137608	127315	133852	156501	160514	152173	145485	103434	108482	173897	174758	130097	129615	138963	139658	169283	183064	41078	34556	39414	40221	35889	42467	36551	36050	43720	44452	37737	39411	25928	39677	28810	32499	41799	42777	23971	28435	24309	23458	42927	43333	28278	26692	49748	50569	149325	147584	139338	139329	213593	217691	112998	116796	119961	127545	97914	101092	287199	278210	85400	86706	86632	82784	103221	98322	118815	127119	193905	194909	195221	195844	94237	91536	237000	231400	212581	215751	216875	216037	110212	110329	231756	235917	208115	205255	105359	97955	187951	183138	141905	137699	130552	127056	79941	77260	126369	127616	113557	110982	126627	134782	38749	36123	34363	32953	39806	39060	37444	39984	23894	28472	42868	39665	37618	39015	43619	44881	37404	37826	44617	45454	44613	44616	40866	38545	41685	42500	48919	48271	40457	41737	32710	32457	39520	36295	27759	29185	44483	42680	31273	34062	48034	48207	25074	27045	57595	51945	47979	44439	29894	28505	30448	30516	29818	29042	33535	33133	20627	19613	57712	58805	32480	32627	34924	34191	32141	32344	34062	34139	26368	24090	46023	44626	80069	77220	31825	33703	51015	48944	65056	64225	28659	29677	56548	56299	30318	35455	42616	44364	20300	20943	42490	47057	51201	50085	52713	53626
450.3194@13.666736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16624	34570	25508	16862	1	12617	21905	14296	761696	1	70847	63624	38968	1	1	27482	28553	38901	22971	9099	37719	25167	12374	26501	38461	51080	59460	30812	1	27651	51872	45523	78246	54758	37383	54417	28556	44179	28166	45204	720472	20377	86465	20175	71794	60263	71105	47457	57209	31150	36926	13952	45319	58025	61993	21548	34707	43616	51037	73119	46720	48367	87854	14420	67266	32599	53952	21366	38337	64549	45063	13868	38461	14449	13070	44217	40010	17577	64971	47958	28090	51568	13400	64315	80049	50198	38129	17141	81313	40754	37135	65802	1	1	1	1	7778	149989	53170	103973	62609	1	130376	195216	104246	94135	10205	32796	63996	94770	87767	1	39898	52544	110448	35736	7622	105767	8086	1	80314	1	1	13520	1	1	16524	16400	1	1	10043	20551	1	79636	1	1	29724	43352
C12 H10 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	443646	444926	343277	8872	468914	16467	434785	446886	444776	433131	10587	8983	15086	22757	380003	357730	464534	443079	524791	457747	11676	13123	30728	36481	32422	32961	9079	8210	529516	536178	27822	535568	28002	28885	159173	268882	508810	497184	34980	35078	475652	470058	538350	542254	399741	395962	546395	515533	365874	366582	461055	464549	505786	484792	1	661631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16353	20649	50559	52437	163960	174786	38405	40535	44634	44126	48301	46265	276450	275293	14472	11748	41053	42275	26582	30717	33640	40896	143752	139245	69748	63714	36918	41331	138679	143846	93767	93467	198859	198592	21369	29220	209891	212444	113177	112262	43160	49736	111765	108320	37015	38717	89893	88304	33733	31925	26056	24123	23162	20622	66826	51666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.2187@0.9929303	20532	21985	31375	26329	17099	17472	36015	35620	29349	30940	18452	17823	21340	21776	28966	26763	28865	24497	32685	27789	12006	10860	38512	39146	24950	27110	23354	25465	31021	34395	10628	1	24101	26485	34648	32196	11475	13956	38457	29278	10397	10521	17254	18248	12709	10676	22884	25800	1	1	1	1	49337	39390	1	1	53898	44829	110710	112500	76563	77111	145622	138795	36001	40620	62330	60479	28287	27237	107873	114068	54130	49536	74380	68064	54527	51890	78529	84681	52098	52268	114695	116729	40073	41405	263813	256341	206100	216025	80094	77485	27103	33852	130467	138693	143088	143455	114667	114064	196137	201417	59779	60903	77842	75202	26791	29454	156170	160523	128811	128454	104086	92266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.8864@0.8618281	139106	132688	131560	135810	159225	150280	133699	114650	138270	138403	160208	160683	149744	148560	115396	118904	132839	148291	131632	143465	148346	159407	106906	113168	155463	146049	142588	137481	119026	116164	232415	231717	233841	246232	245625	242737	240101	242529	209052	212842	237182	239193	219044	224327	166037	163623	184775	192729	233362	230808	171167	175922	208165	209642	278363	282440	238426	231270	142749	149501	133378	146888	112381	106761	172439	187999	177347	185097	147420	152768	75719	93213	127991	122355	181787	183517	179380	184425	130371	132488	52215	54704	91455	91721	137348	133388	77202	76394	82959	71736	83335	92501	86972	88241	91880	106567	98282	93124	154767	149661	106928	101913	126823	128994	139848	133336	178862	182823	122332	125100	154652	143973	147756	160344	166631	171103	194103	187293	162698	166162	186352	186259	206930	216520	182928	175487	178520	174713	150621	155436	184395	187540	159690	158333	164026	166179	204802	197228	167300	163448	190866	199325	173408	174467	220639	212840	186952	182225	220394	214076	195183	197311	196582	197586	118265	122261	203403	200062	141898	145853	153939	160804	185447	189828	91464	90425	135220	135637	127968	126253	210497	205680	107880	111336	164999	152434	153047	150300	161514	152660	144487	139501	164726	164521	122720	122824	101020	101123	166862	170326	108833	106002	137167	135720	148586	152396	119745	119231	153931	148127	131238	131836	170048	170361	131293	130686	102257	97966	115263	112842
PE(18:2(9Z,12Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12940	13232	24301	13474	13416	14598	8195	1	1	1	18684	10991	17484	14586	12536	13185	10985	9365	45550	32843	298943	90227	31605	19986	10739	9805	1	8293	17623	18932	21854	16363	8570	7743	33107	13456	39407	22714	24851	21904	43954	26350	18519	16310	89232	21400	1	1	27798	21327	16413	15632	28932	18471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12807	13273	1	1	1	1	1	1	1	1	19911	24272	21033	17496	15816	9356	1	1	8844	1	67481	53081	8934	7854	12703	11038	24551	17907	12716	10073	11335	8384	7860	1	15426	15438	9617	1	1	1	13799	15451	9545	1	16220	15146	40197	1	1	1	17257	10516	28848	46973	10263	1
Citraconic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	211212	215790	183478	190722	211192	211150	206172	204265	220335	213710	172078	170866	202443	199342	168199	145729	236260	229440	223262	239663	175803	189372	84758	77262	170315	183987	164131	166162	135438	135551	136159	132333	176977	169292	129540	132385	224785	214223	257007	272470	238499	245311	242688	223715	221065	233089	254488	245195	276913	273758	179479	187318	253050	244306	327031	302909	33075	55272	34941	33450	38295	37350	39163	38195	32207	47433	73023	40322	35452	32127	37709	32009	36769	41071	39682	38336	65913	32491	41417	40057	37169	54547	38368	43442	35018	40286	50723	54748	33139	35111	36103	56154	43101	42924	40947	36764	27811	30107	69195	30869	43402	44541	31727	33747	33508	34452	32025	29372	38827	38502	36209	31376	31257	32160	112029	110882	85839	87199	42905	42120	40012	47236	66606	61359	24785	26416	122624	133632	79525	60511	50951	51489	88296	102355	114852	110076	49168	38457	102208	115095	43890	45369	127840	121163	20060	29508	123740	134035	145436	139471	127431	125710
284.0757@8.509002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8947	8899	8291	1	1	10020	9680	1	9053	8525	1	8386	1	1	1	1	1	1	1	1	1	7672	8725	9949	9348	7538	10381	9384	9290	8057	9153	8844	8943	1	1	7584	9226	1	1	248651	9927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methylglyoxal	2161193	2180959	2161618	2207742	1673315	1597437	2008745	1961814	2380656	2521921	1435890	1439353	1656501	1659791	1737863	1662987	1491106	1487749	1994874	1948032	1447039	1508872	3053475	3127279	1880510	1991552	2323523	2360654	2503258	2482803	73641	73783	131987	134353	558030	551612	111420	107147	646389	646707	206048	212983	85739	82093	86366	89201	492348	511669	83542	82492	113575	124437	763716	754503	58977	51341	889691	858444	1123935	1057807	1897387	1851367	7013694	6908139	730143	701931	1012972	994272	1222330	1196730	3412673	3389548	494122	431127	1481056	1442226	515371	488656	1466008	1481187	5058668	4830876	3783454	3838327	1073086	1089588	5826325	5818961	4905618	5161950	3948748	3964592	1671330	1098413	5528257	5478392	3963829	3995439	1016832	1019683	6465400	6393154	2070377	2111649	2247279	2246154	1234774	1296808	1047644	1139448	1511457	1513260	4284030	2979437	69699	83366	59674	60948	98225	34519	58631	53809	39068	50678	61349	62205	57121	59733	66614	70136	59363	66952	58657	61622	69825	76981	84366	73742	64820	73346	59699	69513	57519	70648	64750	64051	54428	58188	45047	39200	60195	64066	56169	70710	76489	65970	45636	50760	67788	92191	54847	51975	48461	73797	25181	16307	9820	11998	24413	19001	15095	13725	32460	31536	11195	1	25883	25328	1	13907	14714	16150	1	1	24172	28766	43537	46095	1	15431	26105	21630	25350	30746	1	11526	26344	24353	1	1	19607	20276	15588	14762	17321	19589	17538	18075	26492	24832
C17 H7 N6 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16282	16230	14940	16324	14860	16261	15547	15309	16702	13942	12645	15030	16292	15365	14400	15038	14090	12598	13434	13706	11541	12693	9801	11513	12512	12136	14290	12953	13140	12736	12461	14700	12382	12335	9791	13885	12840	13196	12238	12775	13307	13706	10998	11750	11410	14852	11058	13065	12317	11866	15225	12764	13871	13281	246853	14977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
541.3378@11.409466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25802	13924	1	1	1	1	1	1	31612	16975	1	1	1	1	1	1	32537	23672	301448	95499	38097	23956	12734	9948	17612	18003	29996	28075	36676	24216	1	1	48187	20335	47356	25046	15035	11499	59235	44551	11567	1	68422	14688	1	1	26226	16094	1	1	6577	1	24491	31642	13839	12678	35022	31638	15425	16208	1	1	21668	20279	18354	22568	34610	31830	17930	17339	35792	34696	30802	30714	16629	15508	26314	25741	21924	25962	26176	27074	12793	15421	14292	15033	1	13207	14451	19753	18642	17288	86079	75823	13814	12486	31736	27691	31394	31034	17657	19080	29202	30886	26450	25320	41029	23749	18219	11375	23554	10836	115919	83665	16259	11687	13948	1	37681	28709	15196	14428	20433	12613	28815	16788	19735	14083	16717	11892	14774	1	20635	22548	33320	1	19812	18210	82961	10950	1	1	26815	16394	62620	98907	23591	13187
Proscillaridin A	64114	62251	112007	112230	27923	25093	74682	69278	342148	345427	25355	29633	128832	131957	200558	202605	176657	173957	129131	125027	105752	106027	81219	87356	38904	43514	198159	183648	211004	224295	25620	81462	247601	255732	343863	353269	411313	398660	693049	699567	384626	390913	249447	260444	47226	48702	446544	458442	39439	37125	26873	27187	374249	346002	39239	47852	193699	221102	75850	82004	48299	52811	1	1	83464	92477	33808	35027	1	1	43569	39382	33308	36367	1	1	53001	47854	46072	42201	17863	16100	1	1	1	1	17663	17519	23938	22666	29136	29552	57145	65732	24330	24341	46326	48970	53708	53379	51061	51280	286988	279234	89942	90940	1	1	88684	88917	121169	121836	119080	108098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Tyrosine	49598	47841	27655	31898	22086	19843	36873	35036	56709	52837	26338	26506	37506	35574	28697	25652	42822	46112	46323	41702	36511	42719	40591	45625	32890	36985	53457	49892	64610	65081	125727	120641	159632	160193	113993	107169	72528	67974	193296	191629	107505	107701	59660	61377	186851	191009	202777	214237	57379	62079	30391	30776	158307	158590	26703	26204	143491	147823	55986	50887	42911	42698	66734	68954	37118	35660	22252	22753	54757	52503	107632	108407	40921	37290	26055	26673	39527	40040	63721	75689	130041	129878	99140	104525	76552	78452	102847	101817	94882	96179	126066	122198	48458	52131	130297	126051	148661	154471	48622	50556	121034	117356	70769	72853	57057	59916	45684	46814	78940	73024	87995	86643	70434	62329	24652	24590	33838	29679	13956	13048	73771	75874	17214	16594	18446	19662	41108	39635	26064	23613	30257	32828	26112	29026	38696	38852	32132	30525	48650	48312	20962	19468	56505	55172	29082	28982	51733	49507	29002	28433	17019	16463	19704	21672	26370	21399	20508	16650	21331	24772	16430	16440	30671	31909	277188	291704	259537	248408	276057	286473	188090	184865	353493	363125	217008	223679	348177	345666	345487	342631	314243	319474	226560	223879	1325754	1317778	445872	455744	237030	246470	1678959	1639707	448447	463162	220857	222340	360023	357982	339802	355621	709625	704552	121556	118858	1004026	1016927	1278684	1256353	439289	421583
Sulfuric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	246797	119208	463734	292047	93874	279303	530856	198445	299611	308116	276033	343734	466414	148885	159955	157745	444980	173059	188172	495704	276326	476921	271536	174373	224293	396282	122744	133900	183094	389159	193558	182203	159137	162965	174402	265669	232641	220502	418005	326467	237719	145336	229433	294469	241025	182551	342150	219874	233322	103813	89787	85351	445181	454736	101157	451960	142390	250187	341323	151016	333585	359560	61048	364466	331704	202917	101569	190274	356872	179650	224034	220498	374512	266486	382183	293360	190092	196035	179843	399830	249349	178182	362507	373848	280571	186916	157930	360454	369121	382291	164489	405199	184203	382193	387570	285307	168794	363669	194776	240545	373664	148287	377828	383792	391143	376166	177507	319674	309043	244015	252258	155612	311535	329670	272472	258489	327812	327789	391674	383795	232118	149038	119398	338233	325660	161164	172915	211606	166271	274816	122858	157047	178806	178830	370304	261212	276647	338345	205819	201913	325372	323348	206824	174636	248306	151683	48756	359647	392600	247823	190124	195122
492.3666@13.380163	1293077	1174299	566274	1026438	1029507	346234	304575	426670	823319	1018544	966251	563625	1477430	1211713	1689370	1	1206418	1	1	493317	709702	717339	1	983798	531441	1505906	529159	1	371104	304877	252549	285445	272084	257308	316574	263365	334809	292397	1393998	1131466	386954	310222	243495	243228	304537	199419	718066	619595	646233	326427	190783	325510	993723	485857	494455	186981	257491	249017	88541	67514	66988	68292	134647	75704	96838	55873	91978	67676	74258	43447	159782	71220	75821	94000	95794	77949	88568	100748	232571	171660	1	1157164	765599	252935	118481	94507	74180	84869	92775	116481	165541	107371	135749	113335	279817	149180	229816	138594	191762	115468	351433	203759	127799	124352	432197	269075	122356	118464	218982	133510	80838	117187	8397699	108472	159861	259359	191682	177177	196796	221602	150476	148087	169664	154791	180167	160866	179001	155274	246006	209427	149425	152736	311462	231777	206557	185659	177059	116411	171939	171147	209604	235559	258864	176521	141914	143285	127579	139857	106726	120236	190692	181998	173021	137328	285563	243257	162473	137139	198549	190162	200116	196156	146950	103805	281504	728935	420061	489527	264484	349256	395842	358355	280121	233003	1043850	1742123	188432	535677	381482	271165	573528	458815	451057	300101	321439	338113	245812	267991	414170	328606	265384	176836	283591	274510	343126	296891	437633	295400	348181	281686	1088625	165337	299326	251925	308038	301159	496531	1648817	1	378448
Dinoterb	17918	18946	15722	17390	18932	17145	12209	15847	15279	10953	13734	11771	22633	15095	16330	14860	21418	14015	22447	20253	13267	12780	13346	13748	13954	14141	13637	15191	14267	14345	14995	10744	12088	15883	15201	15426	10657	13247	15278	15722	13941	18928	13073	13042	10904	13734	17489	17243	16203	15597	14702	13061	15745	11079	13491	16627	13540	16396	29406	29622	21601	25719	24758	23734	23221	20791	23408	21759	19719	24548	25537	25763	16331	20322	13889	13803	105458	103164	13628	13848	16991	13442	150958	135942	20223	13527	13733	1	14615	17098	14020	12410	16191	12946	14974	15711	72095	69790	14407	13383	40819	35743	29090	27387	15778	16610	17978	16578	33008	33824	18204	14600	235172	13268	65389	67207	13574	16738	16256	15662	33217	31869	9908	18038	43278	43123	15314	12905	15285	14893	12837	15097	14639	18591	18275	11740	12534	15138	24786	20651	14478	12523	14333	14983	15666	12297	12546	12447	13124	17348	15285	16462	13122	15336	22614	22902	17402	17988	15937	14803	12639	22336	14016	17346	19835	12647	12317	18946	16436	15941	13544	17104	20086	16648	15158	15053	14105	14026	23822	18684	17888	19045	17058	18861	18076	14816	21479	16210	13235	14936	13707	18629	16603	16799	16070	15208	17312	14949	16160	14452	18671	19149	23081	19189	19005	15598	19668	17215	19273	17756
2-Hydroxy-2,4-pentadienoate	336507	297099	179927	219647	159953	170153	211354	218654	281412	278531	157620	175114	206648	229596	254949	221126	233886	246091	272931	244938	186805	189350	302978	315973	206970	236262	238733	229517	251264	234448	238215	217102	286610	286189	271650	276282	230136	239916	245349	252557	266593	274516	214925	228789	271839	283026	265456	274318	204021	194411	149356	164746	292814	284119	199986	196770	419314	400905	131892	125319	90805	94796	293479	271370	201199	189996	113470	104889	80586	77631	200047	178935	91943	88668	125719	127898	1411092	3910767	4375611	4160782	3705154	3113484	2739102	2338467	1939681	1704503	1254463	1096271	1058945	979296	714260	649503	53299	280854	445118	452106	445332	432660	270664	254910	494349	498014	236643	286696	285260	330404	376459	403990	384083	410949	397264	390193	544294	501686	125862	128711	46866	58412	141516	143926	95165	79899	88137	84259	138682	119437	70418	71426	81342	82994	60847	66801	189535	171476	298317	280561	72880	78340	73612	93762	47343	52601	71238	67654	80061	57849	76458	72881	94506	88664	64287	60689	127109	127556	132297	113628	46585	47431	117637	137297	68662	59055	85355	83886	122009	117848	91684	97420	117543	126906	82568	83889	165689	177638	90613	98392	140136	146828	94832	87745	117687	96416	95796	95525	166311	175781	150324	159904	98530	100824	265770	257915	147145	152637	97344	98155	123383	144455	91009	88331	128689	139171	70948	76977	132471	138453	181210	186299	164004	166005
222.1245@8.538056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29941	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19483	1	21000	105315	1	1	1	1	1	1	1	1	33408	1	1	7823	50806	17011	32409	8896	14108	10228	37148	18529	18671	11205	34038	10267	15624	22242	26784	11651	10298	10796	1032508	23855	19862	6540	15496	15153	19842	11143	20281	16983	27312	19021	32769	18420	19809	23743	24005	22460	28044	23058	29867	16244	24216	14349	18467	10008	19522	22425	19562	13006	18958	16107	15080	19461	21426	22436	24465	24547	16821	13779	22172	20426	13267	6626	20402	26526	14829	13436	21071	19555	19924	16502	24052	31359	34017	32854	16994	20003	17431	9877	23518	26253	224680	129052	17605	14799	28306	18185	45111	34117	23881	24993	22941	13678	5646	19119	22361	25236	38607	32864	26103	26372	23904	22760	40827	19372	25048	25387	237402	8654	7895	21367	65408	33338	116487	28315	14079	26748
C21 H42 N6 O7 nullnullnull 5.3289995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	337829	369568	327850	350684	338780	329976	338944	347177	332600	334577	313766	313853	328838	311825	772861	713571	734102	723510	694464	713019	715975	702460	665276	696744	687687	694634	682144	674569	678352	668481	672428	679242	694899	702875	561600	735617	750999	740324	718960	707830	726551	748169	746557	734452	727847	730037	717268	723003	744798	735743	735826	751257	738107	757800	6957644	776037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.89351404	82943	170382	190413	98774	213541	435568	214755	155019	336866	148866	186289	119030	207645	151751	135202	286450	137694	175057	148146	124035	202366	171079	171859	96567	189324	153793	157523	173041	256792	335236	57986	155122	60780	102137	175202	226150	252586	80873	62719	150967	202596	162194	187466	171409	165525	232777	165613	183486	154967	163370	90388	111137	89283	176259	66858	77834	87039	108394	98829	19040	1	1	99434	129384	108508	111824	1	1	113185	124833	68174	89014	104380	168101	90401	184767	130545	88857	34513	111218	130796	77689	125749	83715	18290	132953	18337	182491	289549	25006	131584	58693	131430	112515	93671	86917	54516	14875	112925	103611	117205	112568	123741	121641	105279	103289	102808	92439	101968	105062	110360	28964	30832	92057	168999	140909	116196	113279	138085	139798	110349	48746	112097	90452	161043	131656	118701	119147	126700	119416	151430	139218	144365	135918	152584	131477	140653	169728	110167	127287	118164	128381	120578	130703	133482	112118	109634	106060	111814	105982	129580	135491	108925	111834	110280	117516	109036	110028	100690	95217	121212	135044	112337	106650	136035	102702	115045	113279	146519	124266	140660	92331	101465	99090	91958	124702	117118	94378	160923	146503	107946	123043	100757	120004	86693	90230	93295	102391	112636	96600	103416	102081	86461	100557	113941	124953	109769	122648	111094	118293	113790	111523	117335	150655	121206	124906	109347	96811	109774	106199
Aspidinol nullnullnull 5.2782116	63519	47176	20687	22685	18377	17614	22596	23159	23184	26933	25380	26556	49560	58491	66202	73293	45099	46868	28941	33047	33286	34150	49775	40735	21154	24210	22782	21451	24583	30050	1	16870	65635	48292	11758	8124	13767	9090	18807	15638	15639	21037	7751	18464	38801	36863	22744	25533	1	1	10588	8650	25876	24450	1	1	13025	31715	12199	9666	30120	43009	12596	11785	19959	13910	1	7387	14632	14251	28462	28712	19438	17877	10773	8861	20320	12614	39836	49283	75023	80502	72747	77375	30778	28212	32161	29555	39326	40872	30214	29402	23643	32663	44248	49007	83608	65066	25260	25872	60996	62196	28912	27871	30716	39624	11206	10025	65145	64171	37435	19961	47064	46484	68939	122292	14270	38271	50397	25196	14404	31807	44427	26015	87188	117045	33858	59416	182350	34245	52143	38262	31205	31344	118992	169714	144056	67606	76839	53218	11127	131726	92179	33911	108881	42762	106975	79972	141349	91639	14398	16718	18978	60499	31816	34129	38805	37174	84059	57056	20995	6280	16291	13425	9376	10775	10172	11952	38453	7700	10244	57244	30747	21005	16402	12771	44326	47067	7109	12640	1	1	6851	8238	30688	33335	27875	50341	18456	23302	18512	18076	13878	18060	21174	17818	26057	23790	10489	14826	19599	22563	1	29941	11343	16895	1	1	23024	21626
C11 H27 N8 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64856	63880	70054	74663	130827	134839	52609	51501	59293	58287	43983	49612	177184	177169	27071	25106	35187	36783	47602	44401	80724	80951	138886	144595	128882	134399	48021	51694	148822	147025	148864	141602	147983	147421	34881	39281	150646	147449	147966	144655	42620	39810	120020	114928	75718	75139	78349	76379	23981	24522	65384	67615	63324	59104	97081	92368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.9172@0.8780528	122896	117862	97259	99098	175364	175195	101323	101731	153284	148142	198503	191276	133549	139457	92856	86829	125554	126589	124432	123289	182889	180975	72637	66187	166907	174603	150340	151531	90672	85306	330779	328141	338264	330596	375779	367873	361905	361569	277761	279716	347154	359512	331755	332403	191420	189289	255783	252096	348908	355315	301197	319222	261205	263190	422083	413749	308522	318557	207057	210821	159722	161556	134327	133378	230978	237651	236085	232298	193306	195361	95270	95194	203611	196851	237595	227262	199066	141546	81856	84737	48337	48380	82375	80631	128572	133425	75094	78934	76589	89709	94097	96427	114549	122483	101411	109618	105322	107940	182724	176198	119023	107692	147699	143907	147548	142343	205550	209500	119567	115517	162366	153763	162885	161013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
153.8895@0.872527	202663	193840	197162	195413	255426	256228	182780	177656	211963	204848	269657	261265	234555	234145	207182	207930	198118	198477	216161	206115	269997	273177	160513	156981	231199	243590	234381	235755	179735	179326	435517	424329	409484	418380	429496	433076	435036	433021	411366	402837	407652	404645	435434	438868	405176	404865	407802	412688	455578	450127	322548	326222	407130	405745	497339	491743	381797	401637	122918	118994	139460	141281	55441	56305	164264	167924	165087	172482	189597	183846	34561	35201	128857	132347	189585	187773	150782	140057	115317	119107	47944	50053	64496	65574	180496	177277	22053	27969	36099	38976	36883	39216	92821	83703	43874	43775	54089	59333	180608	183067	72541	67789	135926	125248	143949	130000	230009	231128	135697	142660	164169	155709	153572	137710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.0262@0.8450533	39497	38585	23391	25435	11160	13345	28719	29556	20989	23663	18504	16729	26360	26751	25559	25680	34039	36167	27997	29975	23041	21431	32797	30344	15424	18513	35766	34564	37675	37223	1	1	7784	1	1	1	1	1	8304	1	1	1	1	1	1	1	1	1	1	1	1	1	8208	9513	1	1	8515	9790	77191	82865	88565	94045	150515	148234	53701	57729	78784	87480	148551	138101	162767	158991	95929	82879	97613	95299	58491	44478	47014	59624	123373	130973	136975	161309	139430	153875	150858	158430	165551	180273	223532	219111	112710	148848	238988	247326	270284	273394	82200	85770	224214	220935	108451	111497	137660	132083	158702	151033	140358	132421	115953	117408	151294	141439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Benzothiazolesulfonamide	137087	139469	432521	424308	298870	293290	378833	374017	382312	378421	324985	329109	183034	184894	398910	393051	174492	160990	392717	415705	62214	65318	68506	67659	58840	62385	35991	35574	32763	34363	119002	121255	112208	115584	112338	110546	54458	57931	66329	69556	53091	52961	70154	63940	49770	55880	61675	64172	109326	108309	48763	51123	414396	408757	354446	358932	254826	254303	73315	74757	48513	50587	40709	42732	18964	21579	24421	27403	38603	39772	41462	37247	74901	77741	91022	94188	43188	45149	41528	46042	50461	52579	57686	59768	154958	156940	104167	102484	224721	229358	44788	47478	73696	90425	263609	254906	149203	154841	83731	85855	215676	215448	41420	41153	114646	108223	40666	39232	34138	35586	34986	34468	48939	49802	111368	110559	87162	87278	78332	79220	34253	34720	29369	31973	47012	54718	53331	49822	81400	82124	76475	79163	46190	49266	52630	54039	48847	50199	94875	99511	113998	114060	237394	231625	221683	211204	108725	99361	236497	243216	200766	202132	246188	244094	131631	125354	238218	250538	317419	311129	102297	106331	15269	11822	61534	59252	53613	49170	50065	49174	18990	21915	26475	25085	44305	44368	31143	30999	55442	52869	55445	60353	74105	73946	176341	179018	207111	206046	107753	98985	86680	87349	213975	210001	206233	198282	81062	80933	256750	244151	254158	240628	203099	205080	218116	232795	66326	69607	86721	86563
C10 H6 N O10 S	163114	156038	153284	149024	163801	169579	152323	155362	163122	154705	170127	166131	162381	159643	159573	161465	150877	151322	158581	160381	172892	164885	154014	157436	181680	192025	175036	177231	163764	164408	213923	205328	215268	213632	223273	208218	215703	211957	206407	216985	213760	215220	211920	220626	218552	235354	222958	233156	216713	241999	232672	220693	243177	241732	226643	231564	256180	262227	200228	197708	206884	211420	212996	207932	209673	203347	200046	196272	156466	154716	148114	147106	241116	215867	228311	212246	210846	139522	139448	153591	153656	156799	174949	183931	150720	148983	128939	125625	159259	166255	162515	168906	149439	218374	212233	207254	228229	230915	252123	265291	250310	235526	265108	262604	263139	258953	218871	214672	258839	255376	267891	261174	347538	280360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Zedoarol	83603	83574	42637	41174	35115	35677	46855	43792	41983	40967	48396	46219	85133	78596	118041	102217	65537	70973	54068	58945	53011	55974	50986	50000	29251	29162	33011	32142	38092	33948	9289	10784	17012	15635	10930	14292	20306	18771	31296	25339	32128	28914	16609	12695	16959	11262	37068	28840	1	1	10181	10816	45314	37896	1	1	23077	23880	13310	12808	33270	34514	15795	11789	12430	14916	1	1	19392	16426	27005	23285	22479	27308	16040	13443	13615	13958	53976	51934	112461	102170	93625	98323	38839	40813	29304	27577	46864	49795	36399	35215	32078	30051	64130	55969	83449	90565	37718	39281	80854	81709	38794	38375	49639	47930	13100	11382	86576	79581	35555	30949	57327	49985	35106	34932	24543	21978	30905	30223	24475	26327	16783	16453	27100	25453	16681	16366	22682	20250	12412	16936	31190	28942	36172	33698	35192	29169	15446	14144	9155	10512	13967	15799	22975	21863	12910	13020	11003	9460	19917	22405	17967	16218	59619	57480	10847	14730	29900	24952	20066	15537	19879	20555	13952	12440	11465	13377	12232	12929	8098	1	28511	32309	15876	13539	44137	48026	9802	9752	1	1	8644	8793	36469	32833	34590	37693	28416	26114	16321	17257	14355	11836	19949	22561	23610	24105	10281	7718	26491	24500	1	1	13268	13858	1	1	28563	21719
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40638	44931	48813	48714	64181	66323	50774	53067	22406	23173	16886	16670	172003	172103	48440	51572	18768	19229	46116	47219	48016	47024	53142	50302	65439	63577	41639	39783	65299	103975	150249	152914	102814	98795	16980	19027	130466	121003	193924	195014	59359	58366	327938	325302	38887	42277	41781	41040	11226	9840	64439	63421	51659	49879	61560	54248	8037	9774	1	1	1	1	1	1	11429	13697	1	1	1	1	33825	32015	12190	1	1	1	28260	25892	33910	35100	1	1	1	1	17555	17210	41248	39830	16508	18160	107169	102523	34166	34196	34666	31451	14937	14787	70610	67426	1	1	1	1	102624	103033	64097	64551	41941	41951	22315	23150	81225	82101	79411	76824	46862	45736	49647	49741	16382	16714	23273	19510	27845	31642	142827	137459	75366	74420	12251	16131	120197	114959	40131	37406	24653	21975	37294	26234	12959	12007	150583	145828	23296	24553	87400	58066	159987	172002	69312	44226
133.0216@0.9453457	74449	43545	68520	58178	69589	55635	75158	73995	78792	74623	63810	67883	51222	62913	38603	54977	87040	51189	71172	41916	56289	57565	42154	65975	75590	80799	50092	65259	73061	77982	70749	68722	75117	75582	65189	63221	73682	70450	52340	49361	65348	70956	61323	58611	52164	56311	54989	58352	57183	67744	60401	57836	63933	64204	75025	73991	75881	85122	143104	137798	128733	136830	132792	129807	148824	147742	140450	151586	147132	145680	122802	119974	129664	123873	146942	146515	147678	158280	133898	147203	1	99055	126235	121597	131864	139029	39894	87376	98045	45128	116714	116584	145828	137755	132364	55886	133261	124236	145864	146873	125064	119360	145230	151528	145283	142473	149495	155601	128605	134573	143037	135044	166562	152998	84089	80155	89868	104343	91817	86302	100443	98431	78258	82783	94967	92176	92234	96787	86988	89667	99523	99293	94167	96189	84922	89241	96743	95720	101035	99485	116170	109817	90804	90622	88401	95587	98041	99239	87224	83982	102490	97334	83297	85654	77056	82267	78091	81057	110425	116730	94232	90478	76492	70123	58183	62972	69512	63935	57405	61579	72277	74821	68627	71507	67854	74297	71622	70373	67847	67549	75446	75482	67458	63666	70695	74160	78294	76685	73731	76782	63174	57987	93479	90548	66337	72860	89152	80125	74028	69300	72700	70129	63182	62189	72802	72637	59984	58933	72650	75904
Bis(glutathionyl)spermine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11493	11145	13412	11330	69704	70485	7041	1	7043	7614	1	1	159011	155438	1	1	1	1	7929	7384	19032	21718	106104	105263	72518	76780	1	1	237909	234693	144283	146869	126919	127021	1	8276	161447	154723	103333	103061	6982	6690	65616	67808	21109	23099	18395	20549	1	1	16518	17022	13058	14157	32556	24289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H5 N4 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10967	12271	10231	11691	10604	11153	11571	12728	10157	10646	9688	9041	9264	10242	9405	8490	9189	9621	8815	1	8713	10807	13167	10474	13596	12670	11646	12498	13736	12782	12223	12113	11431	11972	11686	10431	13079	11189	12678	11874	522943	12814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10016	10835	10176	9728	10206	9507	12448	12585	11844	10354	9101	9466	10614	12268	8340	1	1	1	1	1	1	9246	1	7918	1	1	1	1	1	7893	1	1	7528	1	1	1	1	1	1	1	1	1	1	1	8728	8546
5-Hydroxyindoleacetic acid	321956	336734	305104	304087	128065	125378	294731	310011	319926	296565	157863	159462	257056	257504	202076	215541	387467	404331	244624	235914	223326	222940	360860	355617	130996	138245	205097	210957	342866	353980	20902	23980	37355	33986	46619	47567	38150	34535	34554	32943	53625	56418	34410	35918	29024	30656	50389	46036	9487	10222	20806	24112	140951	128518	11898	14226	98552	98263	18751	21574	34145	32231	29783	29374	17581	20969	12392	12762	38433	36491	91831	91265	34838	28483	24019	24167	25630	26579	57641	59181	92238	89191	134051	140539	49123	51798	142865	148676	96010	99586	65978	61919	13827	17712	130810	132803	155624	155081	44292	43288	242331	234856	31923	34636	54793	54713	55709	52756	66581	65811	66759	68719	48023	46099	18366	20224	14971	16975	21874	24913	29715	30229	1	8076	18655	19527	34988	32848	20045	19011	13475	12305	20676	24063	33435	30163	23937	22498	15182	13155	25275	24402	15886	18911	20975	22251	13429	15375	27189	24522	34675	33091	19350	23505	52477	52728	20229	18787	37399	35935	14691	16147	27248	26661	18354	14253	14229	21917	52322	58503	20981	22473	52824	50531	13342	9110	110945	114099	23688	22487	10613	12402	13524	13581	126851	129951	68928	67922	29376	30094	63010	62875	32204	30168	20261	18206	37079	36251	10167	10230	66940	66419	28948	33726	34154	35522	18755	25935	33040	31519
> limit nullnullnull 1.2643359	134249	98635	152801	151346	121800	138194	165127	131695	113230	109342	105098	88474	124489	70387	160475	116504	112500	126548	112059	96842	98476	117715	136948	119948	108551	143487	117116	114221	184499	177151	33955	29168	31264	36647	27793	28807	31525	31733	40117	37802	108373	46870	42708	37270	25953	26070	43539	44219	19697	23337	8233	10282	52107	60764	20448	21188	32951	39762	33780	50144	57154	46724	82822	120689	33755	37492	50380	48499	41540	53795	188017	194550	35754	41309	44141	49926	33469	38410	63895	43919	103429	868410	87992	142040	40460	50092	166534	182244	212275	110967	192139	136745	47945	51036	92025	393480	201453	100972	55992	52708	99654	113853	59981	61535	80547	70179	40234	41213	501209	48685	53905	77307	129559	73274	95805	101986	82837	74717	96370	95992	72766	92370	69585	52186	100676	90831	81579	77214	105894	100084	95620	95071	102201	111763	109145	106488	100430	111044	87924	106393	90685	93320	104257	104861	88397	104285	72325	72190	59373	59752	88527	86736	80995	70477	93663	109514	66752	65041	121041	113728	99706	101959	70560	69545	23496	28094	25626	26087	21601	21677	13997	12043	40872	47083	24507	32446	27583	25751	24230	21691	37083	36564	9697	10571	37114	40963	54660	58248	23705	25128	43204	44966	47841	50608	20457	18114	45920	43111	22985	23080	43522	45080	18123	19357	42309	45833	48821	45408	37468	34184
C3 H2 N4 O4 S	77776	73753	76173	74624	83847	82894	69021	69149	90048	95621	86519	81031	75874	85817	53011	54781	99650	91856	79721	80037	77422	71738	54883	61620	79859	85246	69220	73671	61631	66003	95174	98282	107434	111676	101253	98540	95037	96372	93569	92149	98270	102789	84449	87378	68734	68892	74432	71902	80272	75071	46933	46838	77315	76655	106750	104685	101634	108595	83098	87331	66622	65618	87557	82303	79941	81025	88825	84880	70013	75344	86317	86226	66047	58372	98327	97005	94707	91769	60553	70948	38436	36932	68609	70592	72134	62399	74897	79160	61420	67120	75164	69874	31701	41635	82271	84352	73745	81512	77524	80396	69539	70208	72329	71449	75070	67601	91295	90142	60358	58390	74655	79151	92881	85009	122234	114357	125028	115693	123912	122496	127006	123874	110375	97951	43689	98858	100756	103985	92066	90300	116305	110563	93413	91764	94218	97680	113789	119193	111714	104598	103055	102968	95873	91700	120949	117375	96156	91273	125734	116858	119012	112461	104811	99487	76568	78719	96902	95423	107555	107999	59165	90130	98351	90459	65189	58696	69115	64139	71928	65936	83082	86976	72691	63910	77604	71755	64708	68876	55516	50367	62286	58104	52866	53503	51707	57486	58586	55995	63198	56960	49598	48339	74148	74454	49706	52789	58516	56868	56848	54633	61501	61151	44573	55133	54750	50113	42608	40694	49721	48305
2-Iodophenol nullnullnull 2.8386724	251127	210328	191501	220092	163270	277807	287410	253975	192364	341323	107967	323625	210584	267689	73192	263055	149832	170105	159709	72664	224009	136505	246599	180750	183136	177684	198289	148176	1502574	209835	261814	163467	479277	420654	138638	161405	181666	109791	403119	122783	115923	651748	173681	108911	213191	95644	88669	395249	220386	83616	77682	102544	1	148601	220273	98889	236183	331774	1	1	114037	1	1	1	1	1	128966	1	1	1	1	1	1	1	143861	227143	53591	221728	57813	421325	375897	95929	154579	262226	363099	81514	227769	298891	336996	341460	354125	316932	1	315697	303338	329681	21182	126074	106433	215475	521238	252710	129491	252024	207666	354686	74580	163068	119567	318664	125046	112421	54495	412083	429317	405211	324341	127723	278270	340272	375386	272990	118643	270364	260058	312248	85211	226359	258381	319157	301263	290697	113106	345301	192636	473623	485127	820368	486388	474151	304460	370374	332431	542506	295662	712656	302106	385603	336707	390038	263117	157742	348158	175198	242652	409255	363722	519963	426720	481946	204663	355010	423315	371698	166651	216287	153908	387978	179740	178596	205389	141373	202321	154492	226243	133989	146871	162454	216458	134443	206333	182613	315322	124194	225918	242408	188449	76602	166384	82375	177936	159950	83190	105925	125911	106050	100011	209177	365553	314423	258565	288197	89987	62143	147209	247192	156607	295939	112262	99026
2-Hydroxyethyl methacrylate nullnullnull 3.9167826	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23175	18568	17542	24738	100013	86838	19306	10067	33763	11252	19532	17223	40891	39020	30899	52077	28518	36137	14527	33565	21363	47083	39463	67872	52582	34552	19800	12321	10256	15231	68248	15877	43732	40167	32413	1	36627	22336	75672	73345	33315	21388	107732	163966	40884	14998	36677	42704	27121	20145	34457	52896	26378	22079	59800	17118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0196@1.5365709	270261	305754	262723	246271	135668	163514	250842	247529	253575	275564	141183	147364	200561	197087	182864	215865	195712	239734	220298	223657	120860	132549	265044	286677	160024	156123	197518	193721	256239	240458	27789	23365	35184	37773	47335	37146	1	1	50595	51449	36601	32564	40780	1	1	27101	39597	50409	1	20701	18229	1	1	76894	21966	19562	36016	1	490334	468768	116682	113610	367318	414599	338512	331656	131331	135408	65337	1	1	1	1	1	290759	303726	233234	256544	408533	435652	1199806	1132556	1058555	1053456	68365	1	1664713	1737930	1389193	1352319	1465415	1430764	1	1	517788	552975	1401886	1372182	126334	431203	451600	413757	142982	132104	167494	149775	1	1	161077	172569	146663	141263	1	176270	56215	1	52169	57649	78299	73858	88793	97631	46577	43554	1	70974	77495	69065	83650	75175	88186	87054	101220	49421	71139	1	1	1	84809	96353	38845	48778	81060	93264	60886	68002	63671	64612	44626	40616	1	76381	17766	56014	88215	97956	1	39233	129975	129566	109810	35357	65686	36131	1	14386	1	1	33628	1	43735	11399	37081	1	1	1	16780	16387	10794	11285	1	1	43632	11599	36802	37797	815061	50303	1	14876	41127	32276	42026	41147	1	1	33353	27764	16250	16987	32250	33595	1	1	28513	33544	48105	37142	26991	24437
115.9969@0.82113177	1116588	1129723	1139490	1247979	1249488	1250649	1057920	1046954	1592164	1436755	1308573	1305468	1256002	1183447	817743	820238	1594831	1509327	1315124	1275688	1158255	1187874	770041	896598	1325206	1413581	1168132	1144864	1006115	1024568	1810311	1690586	1947038	1935388	1799197	1775738	1840713	1866076	1624397	1618022	1843284	1813370	1576684	1607132	1119884	1168302	1369157	1245209	1603583	1640747	984036	979826	1553929	1534271	2134349	2140108	2031351	2045902	74371	98722	104973	92550	108976	107015	83066	98594	100434	102595	111492	120621	65562	63196	98898	90310	88756	95202	121147	114824	62020	128670	100918	96480	63891	68893	126639	85712	67680	62845	66141	71932	90152	70613	73477	90819	75948	74359	75873	111481	122249	118819	105562	102175	101866	102991	83357	96897	120514	109398	99356	124658	120109	101967	134719	106241	95987	106085	112682	122564	104466	106725	97995	119132	103286	94085	90517	106733	110514	120314	87156	98881	112223	115193	116783	110254	115047	91736	125483	139956	103376	114517	110983	116857	117447	93533	127882	142663	116831	121421	129752	123720	117877	108553	124709	116815	107287	93610	111002	117515	114222	129100	103175	116976	113126	114315	90473	87579	80002	69961	98536	90904	94277	91543	80632	80112	77428	95821	94327	94151	101346	104488	117779	85870	107770	106612	107381	94225	84621	99714	120222	104664	92817	98503	119608	91776	117651	109032	99515	100580	111407	105865	105255	107076	83451	107883	85506	117674	95380	106610	100936	124033
C7 H11 N4 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20958	19543	19677	15386	96917	91688	14427	12539	11147	9899	17402	18255	82174	87677	28335	19039	34186	32704	23228	24169	59198	75805	110377	108981	65962	80566	25997	23349	240881	256681	181983	184884	153948	156779	16424	32355	246563	240929	136606	139731	70029	64652	197611	182058	54721	60101	77687	83420	32637	34198	61895	64320	66569	62491	113044	102200	1	1	1	1	1	1	29834	29570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22512	22228	1	1	21563	22353	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12907	11765	49504	54677	70833	73774	52028	46410	47682	51617	225305	214430	76034	87141	87482	89077	47902	43439	107820	106982	32603	34736	148840	154264	245631	261488	81265	73338	143572	159923	227746	1	38845	32629	200443	190384	45794	51633	1	96551	1	1	133266	148068	172350	155527	157415	152942
Cascarillin	34925	35619	31905	38031	22191	19244	37666	37833	23863	24695	32072	30108	31199	27940	22407	34510	36071	35870	38085	39891	24666	29615	39447	49288	31383	31684	30956	31736	47309	48271	19936	15652	24115	24534	21539	22010	23801	21862	23301	24914	29402	27493	20345	18889	28508	25204	39207	36693	8829	9088	8124	8306	45145	47754	11445	8518	41149	40810	12348	10453	10033	8545	10691	8586	1	1	1	7036	1	1	14457	13525	7668	9186	12575	10958	12174	14997	24613	24174	11480	10337	20230	18315	1	6996	30234	28893	21249	23958	16519	16259	11530	12783	20025	19376	30519	32987	14829	15685	22845	18688	8543	8071	15021	16377	1	1	16657	17281	16490	17353	14115	14184	13246	9309	21268	17948	26854	25184	25278	23900	12271	12664	23697	24085	23173	19764	18011	18426	12857	14540	36217	34332	26365	119204	18091	19500	26164	29628	19818	21788	22551	24490	12439	16313	21552	22182	15142	14477	20589	19874	12636	16363	37327	36033	13261	11906	46753	55010	32842	34726	9828	11039	58003	61214	12308	12776	1	1	9323	8357	19497	19764	25980	24204	19143	17594	42384	40302	110478	112546	53205	52841	16295	19046	42547	44475	60761	64935	12782	14117	29802	32798	31347	33143	19531	17586	18066	19888	90413	96527	1	1	96109	103997	19113	16060	16786	18513
LysoPE(0:0/16:0)	105105	81382	15951	26023	11412	11482	12290	1	44771	27038	36544	40716	97223	40599	107911	61707	338421	65962	110192	49685	63039	94258	10325	1	34862	11225	17562	10364	20538	9791	14093	13347	15424	16711	1	1	13539	13120	248237	174882	19748	17422	21962	22933	70532	68091	112884	53761	14588	9898	1	9147	132503	42932	1	1	21212	22481	13640	8224	1	1	23785	1	1	1	1	1	1	1	12816	1	1	1	1	1	9579	1	23329	17887	224364	58793	14823	1	7582	1	1	1	1	1	11141	1	1	1	21770	1	18793	1	10167	1	46305	23790	1	1	50384	1	1	1	19707	9324	8829	8399	42990	1	1	7905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11324	11403	1	1	1	1	1	1	1	1	29809	34377	32533	23227	31084	18021	15654	9376	18853	1	159236	117199	11176	1	9331	7971	44484	28126	11505	12923	19465	7904	20020	8514	15094	13608	13620	13578	9948	1	13635	14664	19845	1	11741	9786	162589	14022	9222	7585	28236	11268	77651	134972	18225	9639
187.9415@0.8351348	156028	149099	148166	145466	152723	137901	147199	156150	138408	141387	134460	133105	148383	144070	137447	139679	165029	137214	147092	138323	143938	130103	145028	130849	129679	135839	145828	142247	143660	149252	118499	133512	111395	125896	108289	116240	105083	129663	114322	112941	103800	120872	101733	112207	142085	137164	132501	127045	128292	144789	63252	66892	118800	112530	116967	114351	122956	112667	217294	222440	180427	180537	185869	188050	188444	188098	191414	186084	194254	185848	250133	234912	134087	131987	152470	140160	153241	194919	227151	217376	215773	193916	216266	208715	169262	160798	186336	162866	163283	179304	176724	185323	115379	111013	183656	214935	172553	176922	152820	159102	170795	171687	167367	169561	165562	160705	161207	154948	167874	167771	162452	160874	162180	171679	42243	32054	28015	24513	24042	35885	33674	34445	32469	22893	21498	25464	24304	38546	27443	28606	32673	39935	42557	40224	24720	27943	27256	42617	48020	39355	22273	26778	48231	36353	22778	20088	29332	31152	46697	32064	28886	47953	29264	38528	31447	27609	37196	32865	37916	41545	44890	39261	29477	34624	22879	27279	22941	22750	26965	25591	26690	34210	72413	75247	26518	27748	54013	56959	41774	44244	24276	38904	29284	27069	59265	68805	95959	98893	33507	32354	62134	65566	84805	78678	35309	38547	71236	64823	36118	36777	56823	57619	39416	41873	44055	38019	65092	66636	69915	53600
> limit nullnullnull 1.1839992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6457	6866	16633	19740	97648	92554	8650	8818	17539	16035	7686	8157	169655	169569	1	1	5871	6350	6688	6303	20131	20972	91547	93600	24476	24587	10169	10551	229780	233985	149857	151823	136484	134339	1	1	182139	182437	41030	42741	9964	7673	73668	72023	25099	24400	22325	22746	5797	7162	1	1	5755	1	28095	25574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.1393@9.036004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23683	1	25172	12252	1	1	12714	14356	15745	1	1	1	44832	1	14168	18212	13614	37696	24911	20933	47263	40647	160995	65302	52166	31980	31325	24093	44360	53311	60465	26774	13787	14077	12397	29059	30892	20411	30010	16874	37695	30227	45349	36906	1	34513	61934	33625	27336	58717	40988	54680	27945	35448	1908042	46145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
356.8489@0.8725799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140391	139817	145117	145245	104208	108634	180634	166678	184258	170609	145458	153817	82004	100483	110171	108509	174139	172642	180420	168105	137772	148044	77456	65605	107658	104468	145417	142378	76498	68490	70895	72910	76219	80472	83048	79805	95331	87060	105526	99539	169928	176979	117957	116989	144410	145037	156402	157837	174629	175935	136156	145543	165646	161993	179525	165972	171722	168314	184590	187136	143382	151371	197199	189186	154115	155083	198067	190084	192792	188834	192624	187136	184550	180529	191874	194982	183110	182646	201592	197465	181512	191776	199254	200025	186510	192295	193973	192227	178164	185774	168749	173282	200260	195316	180706	174357	134639	140536	153991	173262	157904	154076	198151	199519	178009	179189	67508	64990	73231	66986	66761	68862	98579	88536	86082	86369	73922	78510	124422	124015	70424	72494	82877	81362	62595	65590	97324	96824	98773	97772	79141	81853	91486	92334	111290	104657	76451	76329	89380	91383	73924	72859	101663	96464	117066	121272	97566	96978	96066	100443	99361	95402
105.0292@0.940965	184089	196002	177172	179839	211206	199542	172311	172182	220933	214367	211661	207038	192196	196017	140487	153427	222040	218259	197574	205293	196395	189500	124297	137641	207644	227340	173354	178306	132675	143683	312644	315626	297735	306034	258270	253661	286005	288691	199008	200676	294973	295597	243035	245360	232799	235070	221144	220795	264446	274203	216192	214739	203227	204862	303927	298629	297014	317821	190854	191491	165476	173495	193017	186643	215813	209635	212620	218291	195777	190505	176594	171808	175981	172973	229750	229860	239963	241103	187150	189414	113564	110228	157323	160688	173638	172016	117591	115447	121811	126313	151860	156287	163512	171603	183850	179789	202676	194620	210392	224474	183545	183302	196816	204577	219732	215698	246915	240164	163279	165445	198467	197465	208742	232847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.9297@0.8845094	113782	108809	106439	110184	105890	106369	102074	104770	105334	111210	100479	99166	109564	113754	103391	101952	103771	107347	107033	103574	89468	93584	102410	104852	103748	110475	102834	106268	103539	106240	68274	68272	79240	79248	74661	72885	59448	65982	79671	78498	94186	94652	67537	72563	81001	85701	81773	86843	45517	48434	61362	60128	99298	98711	25547	29486	126569	130987	159940	162498	173894	181506	127077	131683	183423	185832	176616	174854	143465	139134	83525	92853	159574	153731	188543	176557	186708	161885	153989	171022	111854	111239	133589	127985	135444	130815	64661	62656	87725	94131	98118	101614	143145	139861	112648	106736	137300	134517	204001	206078	155595	163244	202256	212447	204887	197709	155841	155384	199371	197570	205807	202790	243906	221961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H33 N8 O14 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21812	23223	16978	14839	60805	56103	1	1	9169	7751	1	1	52542	57294	1	7844	10111	9131	9342	8945	17592	18142	27988	27987	48482	44683	1	1	235595	231620	137842	144650	40371	40890	1	1	87530	81655	69539	69854	22333	23224	91220	87391	16674	16722	19253	18921	1	1	40904	42627	29875	27291	30693	26432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H N2 O3 S2	51806	55316	59670	53706	34155	32522	60054	65349	55731	56157	35373	38088	48682	49109	42834	42528	51185	53979	48402	49968	28817	31533	69540	68534	44033	45185	44816	43185	64053	69744	16720	20449	21330	20063	18825	19717	19329	20827	21491	20889	19223	20786	17409	17284	16034	16632	18402	17197	16177	13383	11955	9414	21695	22005	17582	16867	23681	24716	58400	55994	62216	60643	161128	161274	36931	42706	47032	43102	28237	30945	207103	214347	32702	30683	30167	27755	39943	33544	58337	63449	176271	175694	128690	141128	26788	29527	242585	245709	193525	203844	205329	197128	83582	76871	203893	210485	158142	165451	45113	40410	141934	142580	69206	70491	69375	71397	18739	17998	59573	63439	59280	54646	82236	76792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.8467@0.87926203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	161252	171134	163871	174318	97604	87986	198215	195708	196625	194618	169237	168144	61163	58028	131570	136615	207425	203374	208872	185363	156627	152828	68317	66394	103427	95224	164464	165056	35701	33700	50667	52474	63157	65097	89424	92887	64324	66162	93041	94365	198699	209447	110770	107774	161804	174666	180521	180497	201389	196894	172062	171429	203612	206825	211160	206380	147532	156396	151735	149881	136767	134637	171512	174797	117460	117041	172060	166505	167588	175800	174254	172761	157967	163900	174027	179023	167304	170571	176650	168468	169313	166509	174893	181132	170565	167281	154067	149936	156534	153946	124704	126435	166103	167957	142405	138112	129151	123753	113196	116897	145266	141662	171177	174928	127757	124437	46812	49276	47598	45377	53648	54129	50681	50385	80339	80163	50672	51740	98005	98605	50693	47751	65932	58769	37080	39562	89473	93651	99610	98767	62941	56915	81835	84105	102764	99307	51971	55409	88865	88387	50889	49261	91143	91401	72520	73033	85763	90130	91601	99912	91430	88873
275.8973@0.8701139	120025	122691	123199	122588	130823	128129	111541	114999	130748	127889	131759	119686	124266	126436	91292	88898	127129	122665	115509	113601	123252	119362	94242	94670	124631	124428	117016	112905	102034	105217	183050	175184	198065	195444	186767	183027	193199	195719	154775	155419	180592	188638	163651	169641	151889	147237	157828	154651	181492	189039	91921	92526	144612	146099	232725	222445	191204	195554	182007	184972	141387	142995	159777	152360	171143	169300	183761	182022	146828	152717	161850	154415	139894	135611	201340	195206	194258	177057	122614	132308	98888	100238	134498	134687	133420	138170	140389	124068	133456	144903	148261	153541	109604	115275	170570	168369	167436	154299	183972	174744	166703	158220	161267	166661	167792	168509	204488	205092	140371	146952	175722	176515	207362	193549	156275	163368	184954	194961	203664	195134	211954	212721	191704	189759	185167	185815	177946	176704	73657	154431	193542	192792	84141	73883	154780	81242	200398	193201	173085	169810	207046	207218	166019	166243	218618	220887	170478	176865	220024	215751	204864	208841	187016	189980	125703	120750	178225	189006	189990	197860	168792	174838	177248	178053	59307	101649	118193	131380	103857	104397	165060	159410	49222	112941	140384	139712	71208	124977	126791	123925	131204	132936	130654	136670	47953	118360	65722	132044	146583	137226	53441	102344	162453	164406	71491	122113	60678	66155	64004	126704	52078	118509	71666	72239	128005	59545	45322	40831	108202	117059
353.913@0.84730655	7022	9514	7278	8976	8045	8382	8195	8751	8281	7161	7659	6658	6898	7151	7604	7516	8717	8302	6921	7270	7031	6344	9788	8668	7463	7860	8700	7917	7636	9476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7291	7733	1	1	5749	7410	1	1	1	1	1	1	1	1	121650	115867	112043	117933	70567	86573	150705	140368	144154	143427	136102	131923	86853	84330	101080	99616	142317	146367	123530	99834	84128	80588	65117	63534	64995	77628	110853	110634	75626	75887	63687	71211	76416	64977	71502	64915	82660	83931	79761	82015	131747	128581	84521	84999	100000	108671	100461	99012	134924	134579	94808	104346	110655	94619	108629	106909	34513	37940	37324	40207	31094	29839	38769	41225	38755	36899	36087	39334	38719	37047	37049	39415	39914	36041	39698	37315	36664	36992	39255	38236	36095	35395	41527	38215	39929	36275	39536	41423	39050	38677	40115	38632	39681	37930	38793	33501	24922	30230	35792	40468	30494	29613	38953	36516	38500	38675	19689	20833	19233	22358	19795	18017	30480	31350	19162	22073	20507	20621	29199	30361	22958	22193	21294	21263	22656	22925	20310	18212	22425	25115	21825	25172	21060	19008	22928	21311	19953	23093	21602	19918	24187	23659	23435	21419	34096	33363	22622	20523	21901	20748	20513	21271
407.8824@0.8440775	113201	109526	129132	119724	86432	86828	126851	132473	118717	110282	91811	90423	110008	103756	95353	100001	119165	120196	109142	113096	86893	79794	119565	116889	96544	98944	103300	103818	126924	123785	22552	24262	20780	23615	20700	21075	18616	19352	30271	25974	23477	23448	16354	17427	22928	27352	28020	26850	14455	15046	11382	13766	32506	31436	13810	13739	29135	28281	151680	151722	144216	144220	197698	194372	123964	124334	117962	126030	101197	99076	217966	221688	82606	91959	94865	95090	98271	94139	109363	121254	151518	162337	171819	178326	87610	85654	174084	179018	181295	183119	177117	183746	129227	127593	199813	209142	197916	204718	102586	114298	182834	187649	134760	144695	135913	134266	82044	74757	139054	137985	114432	124851	141519	151000	36945	34283	33166	32168	36174	37681	40378	36653	23869	26528	41616	37645	38068	37444	44305	42920	34830	41650	45717	48156	42550	43577	38428	38232	44506	40713	45952	43119	40314	38314	32496	32741	34802	34793	29179	28970	40122	40826	30150	33945	49550	46851	26482	25776	55864	50330	43656	44409	29748	29484	29873	31799	27740	27755	31593	30293	19086	16360	52500	57083	31749	28062	33622	36848	29983	29746	33334	32258	22750	22161	43130	45447	71638	70577	29824	28614	51617	49162	57487	62471	28934	26672	58202	54648	31533	31324	44003	40704	20769	19479	42273	45484	48942	43421	50106	49601
284.2713@14.028061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11711	1	39542	15119	1	1	1	1	1	1	1	1	1	1	34245	37763	58370	52794	56465	52675	57098	64293	93828	44241	59969	53147	150183	73590	63171	54368	97254	73346	56102	65022	198821	66960	123197	138982	121138	120277	137527	135446	131257	119332	121132	124583	127601	143333	119304	137772	151589	140728	125242	119084	159141	147312	134395	123796	133143	120720	137338	130145	150679	161533	147084	143088	130574	120638	130664	132184	115230	107663	130513	148429	143552	134899	209381	208198	130422	119058	156762	152308	159168	159360	129649	128382	192037	204672	230305	187960	257098	186128	167075	175008	173757	159678	421092	369847	210007	194934	215358	187895	257476	246874	216910	211908	232918	193497	233882	195635	204702	205007	205784	194902	205919	204313	229103	203029	237355	195649	227521	215281	21780	232904	220104	218753	238952	217420	312436	397034	252836	224274
629.3544@11.885017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15041	1	1	1	1	1	10720	1	23625	1	1	1	1	1	1	1	25844	17978	300314	98090	30806	1	10090	1	1	1	1	1	8974	1	1	1	28521	1	26189	1	1	1	36468	15519	1	1	67544	1	1	1	25401	1	1	1	17134	1	10231	12472	14493	11165	1	1	1	1	1	1	16394	18097	1	1	22351	21826	1	1	29689	26268	9787	12952	1	1	15964	13736	21762	27575	20644	18210	1	1	13509	14665	1	1	1	1	9826	10579	17608	14225	1	1	1	1	16840	14981	1	1	1	13672	1	1	1	1	1	1	1	1	54328	47517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41194	1	1	1	9593	1	19050	45839	1	1
Succinic anhydride nullnullnull 1.5493696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56753	60035	52407	50260	255003	247412	94174	87069	61395	58605	32718	35662	119751	134778	44147	37837	71025	67925	71282	74824	79236	96449	160302	77435	192025	196573	45851	47155	337028	343672	51577	239289	154243	123180	1	46143	251761	249663	163727	185772	102935	101731	284724	311806	67734	75444	85985	70568	51860	54932	78167	78363	68109	62554	63298	94279	74784	73642	41095	56633	91702	89910	60397	65684	49108	52255	85185	78855	47760	47419	69678	52232	59124	45884	128037	91434	143065	128684	61763	60840	53798	16967	17641	43622	60794	87607	49700	58189	49645	53276	57306	73145	43189	16950	99626	98066	67571	29180	41883	37788	23946	85581	65703	67289	48470	61601	81878	83237	76714	70255	182709	189490	121699	128542	219597	215633	79043	71765	129928	122262	59153	61108	89870	87771	54432	56551	153392	150573	296780	308213	75033	77161	256469	289698	192297	186346	66761	70769	174897	179867	59565	66001	133313	135795	109346	114454	116872	121985	186176	210466	196644	194243
392.0955@1.2970005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55694	112281	181526	177800	215755	175001	171456	157446	97181	79181	95473	83867	69624	66390	36366	31570	1	1	12583	10898	6493	6867	1	1	9180	10105	1	1	1	6544	7756	8088	1	1	6319	1	15397	9381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Vinyl acetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75684	85257	64598	60515	205516	209932	155511	142160	73433	72959	40643	45794	146384	160098	52477	50103	85542	75846	129947	127480	161411	180257	220846	197541	283174	283454	72638	72906	312309	317800	294399	287374	165434	174758	1	49515	341226	345107	333784	295799	180398	178375	437795	436541	127011	130810	146402	128608	91815	90068	127333	136434	89720	89453	132223	137852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
389.8821@0.8703334	117979	114214	102235	95541	132193	134035	99785	105947	140066	143663	150956	143039	107771	121008	72999	73617	120247	123093	111232	110385	126232	130897	71952	67271	137807	138938	110994	113684	87177	88746	205498	203487	235081	229893	247310	241817	230125	239799	171459	162089	239119	219984	192453	195992	105105	101517	151791	150885	199832	207906	115399	131822	171713	155454	287944	299410	226742	224992	153357	159840	114357	113548	115467	108640	162994	152636	168119	168682	128242	135034	94996	87345	125615	124105	173591	176282	151672	110167	63095	65408	34400	31880	75107	79459	98762	100843	68010	63326	60716	62263	74851	75458	62248	66161	81724	84098	86059	90926	138691	134346	86372	92609	117030	113682	114240	121545	168331	162459	87697	88954	125903	129923	134638	137333	20704	23735	24142	21943	30185	23819	20070	21825	26407	26681	19821	20499	22258	20981	17898	19649	23699	22715	19029	23397	19938	15644	22370	25988	18456	21629	27487	21481	20619	16662	22812	22655	16985	23111	24493	18404	18915	23225	18984	18226	16490	15704	22048	23019	29114	23759	16490	15331	14009	14835	13712	13641	17657	15312	14196	14595	20608	18204	17504	17756	20082	18100	18211	14989	13665	15218	19406	15326	16671	15510	15364	17482	19804	20615	19004	17382	17630	14382	22853	19256	15696	14319	19311	17546	17605	17281	14683	19284	13719	13070	14785	16009	17084	15939	17628	12122
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	480099	528335	451300	487032	428198	421879	532403	519145	492908	467461	399539	403173	499138	519317	646800	642770	531217	504471	475825	452335	427982	449299	501160	500715	472808	467489	502293	486753	470860	466523	1447193	1429518	1935808	1951421	1477486	1481346	1269666	1264005	2457003	2436667	1497686	1461773	1935769	1950359	2249609	2274790	2911136	2904458	935283	923878	931717	989982	2628901	2523264	778731	761008	1707101	1689072	528027	532398	427356	399644	643389	628114	494679	509303	505761	506324	395495	391050	738363	740727	435233	408242	512444	491559	595092	524381	437719	444942	623881	601018	630220	649463	373136	383693	754993	752701	698306	726643	726874	715980	146671	253891	751379	739902	792304	812063	547751	540982	694793	703959	513484	509297	652099	630466	401612	405094	553784	556175	605669	584596	942950	787185	312936	309596	327873	318877	297621	303997	261087	263096	238853	237656	189197	190023	464827	490444	187103	172504	254960	247427	203286	209725	307593	308708	381950	372542	271459	279292	256032	253526	204608	208480	342145	332016	203569	210636	443064	467032	277783	280531	356764	355435	284262	286030	317716	319581	394640	394742	175832	174738	389240	409236	529531	512011	574414	581811	748598	734282	406995	392300	973660	992093	729672	737451	986974	994006	839598	835590	906176	877599	631530	635086	1086148	1074667	1046354	1020083	744252	738688	1225850	1220257	1030513	1022944	795643	790138	970988	976748	826523	823566	973470	917050	654111	647116	989094	953981	1275662	1256331	1131298	1094190
259.9884@0.89782465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9253	7171	6796	1	15744	14659	7150	7435	6496	6834	5853	1	13328	13051	9418	8698	8156	8007	6672	6973	7512	7548	11689	11098	12739	12909	6135	6953	17910	18572	13597	14936	14683	12821	1	6481	16499	12872	18032	17906	10986	10997	15135	14662	8607	8100	13864	12678	1	7179	12871	13880	10866	10085	35766	13151	1	1	1	1	1	1	1	1	1	1	1	1	6979	6114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6864	1	1	1	1	1	1	1	1	17579	18955	12407	12328	18256	16917	1	1	15554	17070	17042	16901	14973	15661	16497	13334	18973	20030	8175	7642	20944	21401	17776	19013	15392	17337	23192	23303	19583	19501	11481	12498	19561	18229	12540	14949	17600	20649	1	1	19241	21144	19281	17653	21505	21084
D-Asparagine	38052	35843	41026	44984	23005	22665	40777	38948	35823	39497	22179	22189	26272	23767	32430	39370	35092	35937	28733	28606	29562	24788	36648	40260	24874	26385	33396	34114	59484	49743	18747	18576	13396	15265	10714	8123	15915	16049	31231	31360	14145	14058	8538	13188	28152	27335	31465	31180	1	1	15205	15426	66205	53665	1	1	18227	15087	102661	97046	130989	123397	140853	141417	75425	75832	99774	94797	62418	66976	261253	240895	117140	114811	93619	90447	68386	53908	84936	85117	178948	197018	144236	156864	114482	116106	205795	205833	221973	232297	223470	229435	174384	199956	199412	210339	225067	206635	99008	97386	171497	170352	145734	152862	129340	129138	73623	68508	207420	212083	159876	146845	199731	194494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
215.0256@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78886	82848	80168	76300	138938	136516	41040	45645	72775	73458	160957	160271	217793	222637	49426	45860	56415	58947	44837	45043	63832	67011	213780	213081	180326	184224	167961	172552	193102	194556	163247	162762	189483	185606	77584	74247	167829	165981	177642	186027	39099	39228	136722	137686	61646	60709	86214	81272	102580	106928	86205	85927	78254	80232	98659	89200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
765.4412@11.824002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15714	1	21040	1	1	1	1	1	1	1	27386	62913	144957	75128	54749	19391	19069	14273	1	1	1	1	1	1	1	1	184110	1	30245	15190	17980	13582	61293	25550	1	1	131134	22322	1	1	31591	24958	10690	1	33000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
10-hydroxy-undecanoic acid	382250	47803	168364	177921	172813	179786	168569	166607	126161	176058	186124	172146	169587	158106	116055	77166	348321	183584	165635	147876	165424	175302	159620	177663	88461	204804	395326	202349	111902	213853	123739	157013	144667	218805	197866	72383	191006	199045	189538	178376	208042	133576	397168	180939	64953	206115	407559	216884	196747	190804	508207	118064	211468	452681	30120	194858	203795	223571	115588	277082	108212	100425	115072	116413	274652	108260	114579	114840	113760	113832	113873	224855	75220	125674	129448	128859	105153	124393	160354	140981	139447	135782	147644	140040	81795	134704	139653	132799	124472	131647	146414	245916	81183	172776	143079	138049	174134	124762	93311	162048	154162	134245	141737	152617	128698	152814	138492	350500	172050	374190	150882	158476	3860743	152133	198518	421184	194611	168034	199423	207512	199041	181326	178389	205031	183765	184535	179171	181677	29570	78753	170848	171086	93286	187411	160045	167102	168656	184074	176679	181872	182563	185450	169397	173536	179875	173351	53775	173569	164738	112169	171992	192828	97114	72771	187279	398708	172214	175678	200191	119169	408980	100190	73012	84498	43522	193606	190479	207518	197795	187502	196657	184020	64640	191144	189302	198738	186618	230382	296060	172204	168614	24874	44385	181599	170039	186553	186301	132199	182161	204480	443562	186602	193385	209917	452812	186141	65752	187325	178928	437740	419404	440641	205052	208899	379016	205900	202081	459657	112241	201092
176.0282@0.9330873	115064	116037	115373	113612	139378	133648	108723	103981	149277	147267	144931	138990	125478	128862	80088	76265	161177	148688	130518	125392	110106	120870	70245	80079	141556	164090	106402	104107	81233	75875	231543	230435	260765	250682	230658	224488	235878	235755	171136	178491	238378	243565	174644	195951	150828	151158	145473	148837	192976	204491	147727	145996	189652	178739	258723	266988	276696	255561	202629	199123	165085	174011	189288	192119	197854	194326	207397	204633	165330	160474	181134	176603	158213	130466	230408	220975	226851	241547	166816	187415	80524	75981	165369	174549	153167	160155	126685	116259	123240	129250	152529	151570	123668	125854	202197	195616	228759	227017	231384	228506	214406	218861	190186	211325	218281	225376	248508	247340	133359	171342	228092	211484	274029	270343	130841	125878	139540	144085	151327	153955	153000	127737	130463	125570	126147	129207	131801	128743	119292	109270	142935	135805	84108	105984	121016	123063	139479	143441	131369	130323	161253	165501	117626	120570	165025	164871	129308	136864	167340	162115	167455	166376	121800	142928	91852	90854	127651	127570	174110	176065	119361	119034	125353	128336	91028	95920	92570	97137	109035	113444	130602	129932	162399	179458	140679	128881	103551	108691	109958	106186	121599	129616	94285	97366	172629	170723	151082	155258	132099	132458	142176	129896	185904	196572	117524	102596	160592	162019	113442	110263	162064	164635	92176	97132	177756	165713	146802	150358	176131	170206
211.8493@0.8727533	139266	139018	140739	133780	182653	176855	124202	124129	132691	139048	176541	173651	163284	170220	144640	144990	132939	124121	144431	139413	169244	169983	107446	106114	143179	152248	146998	154403	120193	122193	273713	268045	261131	263104	275866	273628	276196	272848	261458	261241	258301	251944	284719	283848	268722	269032	265869	263529	287257	287596	195865	195476	272577	264457	325721	308463	242778	244323	118506	120473	139037	138861	54218	57970	170529	175226	179072	175119	197275	201225	37368	36707	129686	128548	207975	204410	164595	155025	132593	135986	51720	48641	66619	69017	191263	201048	20790	23498	30288	33140	37588	40082	86745	77409	35897	39695	54800	51783	177608	188246	67324	73349	124569	134712	145440	139816	247468	244909	145278	145728	166140	160091	144543	151584	199627	204569	228879	230355	140810	142562	213729	208534	246940	244806	216903	222783	210624	212657	212109	214522	213815	218954	205121	218250	211274	206446	212234	222046	214032	214523	205255	213650	216034	217600	232337	231061	214300	209921	240383	240391	208866	219547	230966	225050	132294	135117	239106	248191	124399	126311	214024	211682	253715	241635	133981	133918	154641	150748	128179	129825	222410	220880	113162	112959	156378	162241	221373	215050	169567	162112	146827	148908	164395	171195	129002	131629	104479	106041	158658	162576	131268	132497	120215	126036	166252	167797	116191	109867	170706	163350	146734	132778	264612	276898	140415	145662	130416	129841	132572	135398
C15 H9 N5 O S	105360	106559	103728	103769	117338	115749	95813	89472	173777	168549	128460	133497	124087	127196	52757	56211	171185	165174	130398	128141	104178	103137	52424	52464	116506	127666	78660	77705	57657	57719	181150	190887	235078	231610	209759	200108	223368	216259	133130	141302	200631	209446	116483	116642	54475	52005	81683	74415	140069	129159	60233	68846	101318	106180	232683	235569	220622	233315	190353	184952	126379	128022	162812	161011	178637	177727	196592	196689	126795	127592	155450	165692	94034	89722	231232	226138	244434	229568	118961	110831	34921	29254	115096	116779	113017	110476	91011	98814	93719	98406	123739	136110	33826	49185	132701	132045	156283	162922	146673	141627	122883	128217	121833	125411	151519	156531	206922	199639	76443	72642	142377	148765	222057	216338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
300.8869@0.88052577	112851	112989	105191	113062	112613	103721	112638	104781	119815	112295	114609	112241	120398	118872	104938	101181	109304	105481	123512	109482	97651	102749	118856	109557	115198	122384	116205	111976	109441	117610	87211	84788	105971	107757	95122	103113	81993	85247	103394	101214	118592	120173	88345	89931	107717	104614	105115	110892	58096	60134	59573	64429	116120	120799	33740	37288	163291	167235	163922	162456	177794	193600	123841	116411	197329	206615	195005	197945	167661	170339	84166	85147	136908	140377	189016	185808	193778	172671	167062	169263	96480	101376	125498	122791	165491	160391	67546	59655	79916	87042	87256	87998	134336	136334	95520	87579	117762	113923	214094	209078	136479	131422	190488	187095	197352	182920	172890	177310	189760	186021	205846	197794	229347	209406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.0261@0.97773653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	111769	112046	119845	125976	129540	127037	116793	111901	120274	120901	118609	117303	111758	111974	81170	77233	104428	106586	104963	107160	115509	120137	121412	122105	116872	123554	115935	120902	102247	106570	100717	99529	110388	116319	75365	95492	135551	132775	144098	128807	139504	123029	144833	140395	134167	137261	140218	153304	114590	112043	135043	132991	135539	133546	217090	155212	50554	50427	47105	51981	46873	49323	63591	64579	30852	29343	70878	71507	55490	55080	70119	62242	54565	56089	68800	73108	65723	64942	61250	61409	67158	69009	72772	75598	63118	62641	49601	49987	50185	50144	37094	38460	61971	62100	43501	41025	50231	50261	35376	34214	63912	61057	71395	75021	40009	38795	17457	16648	16694	17233	14229	16530	18713	16381	30376	29930	15579	17288	30477	29290	16553	14035	18477	19967	10818	14462	24914	25058	53047	55494	19002	20463	24014	24415	44063	41617	21601	19443	34869	36494	11011	14625	25127	26878	26148	29386	22355	23454	21681	22217	35308	32923
> limit nullnullnull 0.8127145	87918	170863	180593	101168	216701	78324	232900	155875	33636	149852	188012	127211	212264	155498	143465	22140	31888	178883	150480	16084	167949	21752	173558	25524	32383	21987	27452	23164	27948	31696	12507	41849	19642	59406	38654	24567	368294	34127	17005	32207	39734	36916	26605	30223	6546	189713	36446	27995	14767	21634	90466	12365	14544	15088	20720	28084	31452	56402	102848	14812	130301	190187	100455	119562	108298	113800	122123	109253	113747	124898	68174	89262	19545	43197	20204	29625	12752	21177	23311	12778	13819	94082	20972	89213	19358	21545	36669	28879	388510	22646	25358	58693	120970	112460	17157	19982	517612	80679	8943	104111	16050	24519	18547	105845	106536	103289	49183	92400	99048	10741	23881	26381	45682	92296	25427	27816	28358	24078	32504	14301	20089	12715	125173	18284	161717	29947	19388	13922	22162	12151	31805	33629	128849	135976	17918	151612	140653	37180	110383	126669	118886	129722	129428	132632	133649	112639	111707	107568	107316	106069	131709	15275	108196	113991	111322	117704	111023	110374	101388	101772	120082	124611	111959	109497	26324	21904	24188	27760	21652	24106	30123	92609	95344	16331	92084	27594	23037	23215	31144	25587	27814	26010	20907	120459	81850	90374	21420	11626	22943	23369	96240	26169	86681	24093	16164	11600	23848	28864	23410	14490	104540	33677	25281	7925	37979	122265	22801	21820	25861	24999
14-Dihydroxycornestin	35412	40911	30283	34571	32667	33396	32693	29496	31930	29900	27925	29676	25494	27469	26838	34065	23693	33028	27833	27647	36766	40913	32287	35175	38321	37946	32661	33145	38577	38361	40586	42464	35704	33762	37490	36374	36946	35113	38517	38053	30924	34273	34493	37498	33951	32381	32646	33790	33412	34584	26645	21461	47548	47130	38958	37762	45177	46041	7864	1	14623	17937	9707	10169	1	10611	11489	12125	7936	7564	10273	9631	15089	15006	15889	16152	19250	18271	19563	18820	16061	18079	27199	22572	18018	17217	25570	24076	23899	19269	13697	13010	11058	15438	37201	35749	21521	21600	31534	32715	19551	19890	18647	18089	23327	22496	14538	14999	26138	24009	21220	22491	212955	44742	23556	20872	21401	21513	17513	20224	26952	27469	22795	16497	24365	16818	23306	24647	21542	18072	27679	28179	24704	26397	22470	20487	42653	52085	25387	25825	39897	37822	25313	24591	44992	40378	57191	56476	57720	53787	27219	31473	39732	39740	24560	21289	23624	24435	21394	28410	34433	38055	33355	30948	25964	28876	18247	27015	23069	25673	27581	23685	29496	27625	27968	31084	35698	28034	30263	30422	32156	29428	36843	31587	31048	35340	34012	31160	31141	32817	33518	33520	27792	29107	32185	31337	32344	33565	34018	31625	29314	37951	35911	33612	28865	29902	29049	28973	31929	35631
449.8543@0.8713322	156769	158566	139037	137985	173438	169158	140680	140965	185712	179377	171949	173908	161874	166989	107105	108785	172539	160138	153014	151486	166319	163021	96010	105869	176129	188979	147741	157374	124986	120506	229315	233024	275034	268424	256232	270927	261890	265442	191327	200790	258983	256033	204851	218406	151682	148579	183964	184045	219424	238058	111156	125406	183873	191927	315465	308671	274373	274953	216113	226037	159579	174454	162224	161313	192699	200409	235908	192876	156691	159038	117700	123767	152935	130679	206261	207513	203826	174146	107419	112520	73225	69518	135665	129296	134917	129387	89433	87478	97838	100104	108383	108014	81006	81856	101650	120478	129834	132222	182937	186703	139516	144126	164382	178177	154408	167874	193893	199413	138704	114123	184284	153074	200956	205026	139931	144556	159809	155073	137527	141921	154696	165104	162439	162024	155747	155811	139858	143985	137660	140375	154289	150211	138683	138755	142336	137797	163775	163007	144585	148619	161768	163911	145962	147087	167964	170899	146008	153662	174000	172053	155195	170288	159879	154657	112610	96614	161831	152648	143548	138180	135143	131894	137017	134773	75559	74227	96405	92576	87564	89028	136229	128370	82547	87730	115443	110872	102941	106438	108882	111793	116005	101825	108298	108925	89220	89465	93339	93788	122456	115876	80384	79685	113216	112949	102756	100731	96922	96965	109148	104037	90578	92392	106797	105674	93055	93459	78621	76253	90211	86969
222.1266@7.365998:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11121	11645	1	1	1	11505	1	1	18729	1	13764	9289	29097	1	19777	8325	29322	8852	34838	38864	97553	47756	41264	38247	28357	16148	56008	46237	21312	76434	13735	18263	33459	32672	30191	44248	35122	45559	30448	35272	54423	35745	32635	31282	39031	27483	9798	10921	70918	80357	37265	21235	1	40105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H13 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29884	31581	19112	19220	99316	106467	26271	24235	14169	13280	20388	21946	98588	102180	30030	26858	35239	36928	31910	33655	79638	82482	107885	104855	83675	78872	28265	27632	211737	207287	161396	162112	118293	121392	35069	35188	203636	187034	131230	138512	63448	64483	215860	204532	59162	61049	80468	82353	31183	29581	46759	46112	62424	60961	102927	84847	19811	19074	21457	22704	21651	20977	49935	50052	19531	18558	18780	20746	32074	32902	18706	20719	23223	20984	26636	26785	30179	28188	28286	28286	39673	38626	22650	21440	45094	42369	21856	24097	26966	28463	35267	30079	18722	18781	30318	29014	24750	25656	21253	21401	24554	22886	19465	17716	36960	36153	97112	97395	102533	102747	81560	79003	71751	68678	264626	257547	82072	76154	123729	123215	97832	97116	99708	104066	47592	52117	225544	218451	294335	301644	91237	90262	307283	293757	308236	303557	67870	61832	261205	246878	112806	116890	153718	161147	62949	63009	200311	200891	234060	230368	223810	217442
621.3629@11.787999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28122	18556	36718	30486	76840	25038	42220	32541	1	1	81316	42567	133113	38671	20025	1	21368	15210	1	1	146171	116033	1723737	486101	129609	51948	58464	43850	1	1	16159	26266	60152	23753	1	1	161108	29867	143206	35316	24335	18954	186348	92673	21540	20311	275645	37263	13675	11918	140925	63054	18510	19859	111695	26098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Leucine nullnullnull 2.0294218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26843	53348	1	1	1	1	1	1	43624	23563	35290	33272	27407	31432	21475	22035	66288	92825	136161	129994	59692	86513	23457	28206	63533	156862	129944	100679	118133	103716	30419	65574	288117	322831	163269	175641	98526	95946	292059	248951	80328	84788	126257	133446	51454	51998	95564	99161	105179	93743	188013	182073	23743	24220	44647	40454	34320	33787	105806	112990	27672	25603	36190	34147	59301	54509	30882	27808	42248	41417	40819	41596	46188	42999	43656	46289	77871	75882	38669	40632	85816	85474	27770	28588	42108	44360	42191	41795	30850	28059	46793	46619	39056	37039	27632	28822	44017	45588	33597	32367	62926	53637	117359	130790	159096	160447	115212	109699	112117	112567	461664	474052	150852	159728	208160	199145	128748	123242	228802	237737	85613	79474	419056	378645	684132	666470	177655	165375	419865	405460	682585	1244667	123669	115610	532673	511073	146879	148919	299403	306617	235242	232748	398132	386536	422289	468512	482072	512733
286.0663@1.2842331	96630	97635	120291	132370	101057	100366	120719	117758	106455	109509	94543	101906	88726	85360	90323	83259	109373	122044	99210	89948	91864	103509	117543	119333	128010	138018	118978	127125	138890	136802	29455	28091	36788	33132	23970	23361	32700	31299	32078	33345	27477	28128	29892	29162	21483	21615	34521	39859	22893	25036	1	9269	39962	43048	21897	23234	25045	27600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135958	210812	346978	387394	984780	800189	620097	601019	291412	270042	502949	449372	316754	293675	373249	334884	29131	48229	109262	81282	64127	53504	23412	20516	39732	39847	37073	47302	67391	87676	52468	58703	78325	79742	86905	83208	190203	127490	29502	26932	27255	27597	28168	32644	33704	31477	25402	26671	30767	30689	33838	30831	36491	34243	34049	34534	30830	29442	30646	28257	33754	34741	35022	35643	36512	35764	34004	35165	29062	29602	29859	32562	23416	24016	32291	32220	26875	23516	31523	35339	27258	27134	38551	38918	25132	34557	27488	27527	11742	14693	13683	12709	13492	12711	10683	8823	23400	24464	14983	15400	17154	16001	6572	1	8617	9022	1	1	14217	13768	14222	13050	7711	1	13007	10834	10081	12688	6313	1	11922	11773	7979	8048	10743	10505	7499	7794	14983	14348	12506	11004	13714	13976
278.066@0.98351455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107774	108122	94719	96212	202317	200145	68326	69847	70895	78895	45706	45722	230492	232404	68238	60725	65692	62799	80690	81534	104788	112430	210728	195152	179757	177270	50957	59695	293552	292454	237250	247795	212937	202807	74811	103066	281843	281600	226778	240015	93946	95611	204870	208490	126689	129259	124907	128192	49578	44751	123700	128228	127427	124540	169250	147625	15329	15000	10869	10061	17245	17626	16824	17052	1	1	16353	21446	16126	16533	24553	24600	15390	14057	24452	27557	20919	23004	14111	15942	21840	20019	22744	20029	20789	20208	8992	10284	12311	12500	1	1	17530	15204	7466	7713	25249	22203	1	1	31983	35347	26649	27071	10354	7192	1	1	1	1	1	1	1	1	6972	8584	1	1	1	1	1	1	1	1	1	1	1	1	18076	17732	1	1	1	1	12131	10533	1	1	9718	10173	1	1	1	1	1	1	1	1	8522	1	7854	7353
917.4849@0.9810001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6938	6839	8923	9088	53723	49686	1	1	1	6739	6490	1	179179	183205	1	1	1	1	7034	8098	11469	9369	78263	79728	51191	49558	5820	1	223046	214107	127636	128811	106596	107215	1	1	90415	89216	62678	63721	6754	5749	31772	34760	8242	8790	7498	7538	1	1	1	5601	1	1	9361	10206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N2-Acetyl-L-ornithine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23489	24001	48448	47035	505547	489586	39040	41083	83796	85531	72112	64596	1341850	1347778	36690	33030	14257	13342	34492	35335	104567	114745	794195	753780	596980	614765	117001	115941	703800	720013	728222	790393	1314537	1327571	35361	48619	1302825	1243799	975662	1017480	21949	20242	351654	348519	119532	119787	347033	345174	45421	44492	212488	225226	22849	18816	178859	167195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
291.8623@0.89068484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	170893	161515	130442	128919	108576	104347	172315	167106	175618	181543	136620	146055	81638	96065	136148	127966	201591	200453	199671	182802	120192	119190	47097	54873	93289	89941	134054	139691	56457	58822	62469	62442	78551	74206	67197	74407	78788	75582	98059	104990	171198	171626	107937	104579	137829	139020	147050	148460	220853	216700	116413	122065	159939	162781	168355	174443	153882	159443	85170	88385	149614	148281	97273	94231	86479	89726	126045	134218	98128	96985	71988	71824	161821	162239	88882	86547	259138	258088	194830	188124	81172	79911	73451	67307	59316	57508	126851	126639	82720	78055	78955	77134	68768	66505	103491	107234	153642	149137	85992	83107	169586	165184	79421	80016	120866	119654	43737	43633	19826	19732	34029	29698	42476	45416	78194	78803	23902	20494	37974	38325	37203	38277	28935	30063	31081	28355	70617	66544	114968	117986	26592	24588	75421	75281	92407	88500	44472	44080	74822	68321	53982	57486	67716	69962	37655	35753	71635	74158	79650	76928	80921	78308
481.8753@0.8432681	202156	206155	197359	203297	232399	229098	188808	204599	198905	207466	223865	208243	218808	218691	186949	183566	168185	201122	206735	216762	223116	224035	167401	173481	196245	209643	219435	214863	198112	194873	261962	261696	245052	249977	230988	239181	235895	237563	235799	238926	245343	243627	240231	247541	266476	264166	248161	256449	270909	278283	138200	133309	261149	254458	266979	266462	246744	254305	208660	209577	192055	206087	144035	136692	232368	219670	224056	224906	210422	208981	108572	104718	157539	149315	212979	203733	208992	184440	148644	158998	103048	102764	129700	134597	193501	193909	90847	88700	102854	107417	106394	96430	119654	109544	117075	116831	129267	125680	212476	217926	159359	151090	202451	209873	194860	191869	219130	213249	194668	198591	201271	207439	191321	211483	79541	74275	75463	71757	48451	51205	73669	73907	80464	74253	72928	77635	74699	71495	74118	73656	71771	77418	73957	69715	72473	72069	71366	77416	74050	72132	77008	73355	75137	74017	76535	76829	66929	75740	76200	74543	76502	67729	74352	78700	48972	45566	75852	70495	50964	50933	72662	73714	72911	75684	38176	35555	34700	39473	38096	35367	52120	51409	36253	37005	41741	37835	52903	56247	42691	46779	34576	39110	44544	41694	28426	33030	37749	35610	41771	37164	35086	28474	36860	36887	47700	46406	38478	36467	48220	44694	36018	30541	52043	53747	34405	44818	31107	30203	38777	35007
785.4307@11.285693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9821	1	11511	11378	1	1	1	9493	1	1	13130	7413	21696	1	13031	9524	10964	1	9105	1	85718	33855	259353	88072	27234	14366	19366	15744	1	1	1	1	10042	1	1	1	32769	1	24894	14248	20521	12926	36604	20260	10985	9131	65704	15841	1	1	30280	17881	11972	14576	32354	13342	1	1	29032	27238	1	1	1	1	1	1	1	1	29201	29071	29048	33948	27226	1	33595	85808	1	1	1	1	1	1	1	36178	1	1	1	1	1	1	1	1	27876	1	1	1	56240	29688	1	1	27742	31316	29646	25414	18330	1	9032	12088	12364	8910	11279	1	1	1	1	1	59399	27246	18740	12610	1	1	1	1	1	1	11360	1	1	1	8832	1	1	1	1	1	1	8220	11319	1	1	1	32934	1	1	1	1	1	14371	31122	1	1
C8 H15 Cl N2 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12629	13741	14865	12520	12801	11071	14261	17019	14654	12787	15728	15013	13712	10701	14040	11476	17378	17683	21026	16934	17938	20042	8398	7150	16894	18258	16188	15486	6740	6977	8209	7080	12596	10108	23518	20994	20829	24016	21192	20565	24504	22820	20521	22589	23113	23490	25827	23187	21651	25876	16622	16175	22669	18671	26338	26713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one	169944	161630	145100	151964	174503	171506	133716	129556	171023	169899	139913	149211	127884	127289	134388	131112	112454	122539	152662	145634	172000	178936	120765	126770	180441	182401	186149	180221	146262	142027	10752	11829	18858	17837	120573	118298	20333	19230	120115	113135	37706	34007	14588	14755	15020	15474	85115	87060	15590	19515	30559	33262	138976	135795	13127	15484	102392	107551	107431	101944	124306	117390	204615	196560	72691	67991	71888	72547	114118	116621	53917	58744	100200	89494	145518	135034	51635	48348	94324	107617	125311	124060	200316	211689	121564	117199	109511	109862	119234	115346	94316	88823	67425	188828	121498	118522	165849	160619	106027	107839	215887	223810	139679	142819	149677	148725	178882	177224	145585	154848	169862	161733	40359	175321	41172	42690	8854	9062	12740	12660	8789	10877	20975	21891	31690	30623	11572	10544	11056	11287	12295	12923	23001	22961	61975	59764	98763	93917	29390	32832	13996	13520	35908	37080	29113	25820	11939	9137	14940	13288	1	12311	35722	32158	8604	11019	10669	9186	13400	13458	15414	14043	11898	13926	213240	208488	205451	208256	30939	28894	23213	22612	127280	143850	217035	228140	253440	254771	256213	254636	287055	292959	204609	202115	196945	201627	343516	331841	276517	268013	255951	250826	353084	353847	254515	253108	347856	362414	254822	251398	166604	162077	22654	21861	149956	146117	319651	319989	178794	182878
2-Iodophenol nullnullnull 0.6150005	409181	399916	509465	383231	357450	522304	565788	412680	525103	425266	392900	486820	415412	540959	397432	457056	465598	461714	344125	440477	423335	437602	473025	426360	456772	448559	442454	409596	555746	692938	397469	474340	434470	486928	470916	457209	473272	494048	458097	454480	481469	517083	560765	479848	593360	517294	453455	453711	424923	404391	602858	592410	556178	484849	448863	442426	455290	476543	546770	516943	516898	574641	538761	556881	540001	552841	497603	495458	507465	527592	495297	501696	532227	778367	556959	426595	418480	454297	439365	414114	440317	238627	395573	472859	443472	390039	386294	407039	506439	432405	406741	395193	815029	428568	390310	407392	417167	394168	393251	425902	410323	389850	408102	405706	391894	397646	435187	379569	389494	394525	439813	460806	296852	501327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.2356654	122502	115140	77006	12624	107601	92106	24280	127562	60690	175616	49882	60388	28514	94348	80354	86739	63669	74574	79819	79311	97834	103940	106899	181651	100689	37125	14817	145158	51672	13242	101527	97011	131732	165654	121810	127978	117058	119273	121054	143067	72502	153938	88961	89371	124910	132761	106076	97507	76611	81953	30327	47728	131120	133905	66102	66898	207501	219890	139876	145779	131800	125850	326251	321647	154871	148083	118633	117279	105985	106790	225502	223525	101748	95795	134995	139047	130847	126452	166419	178084	222368	223600	254164	244229	130575	138507	281876	300607	136413	289359	198731	226985	109634	102333	280647	300142	224316	271212	151295	147653	386197	357579	146927	158798	153216	152115	144053	142740	123157	136316	121013	122186	207822	195829	48802	48158	44446	43630	49025	49060	36692	44549	39798	37056	53247	55656	37822	40660	45622	47526	47714	45646	39009	51191	55348	50039	53048	49679	37543	18292	41490	49842	54143	37288	41155	39538	33208	41425	117311	43438	44335	32581	20349	48621	52922	28471	27677	29978	44359	49063	32759	33142	110248	97285	110224	111184	94685	95685	119957	112512	86753	82808	139951	145165	33609	92976	144680	148896	89928	93631	107837	113097	84720	87934	150845	143444	85501	83633	110829	112819	208376	201006	64368	69989	105206	106865	169374	74771	102393	97228	122097	125828	84749	83728	120034	125066	181324	172253	155944	164423
C17 H24 N3 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	207310	208018	202084	208721	207378	205002	177791	219613	207021	190873	199053	290944	237261	218266	64596	125121	115749	113345	110695	122208	112659	115750	160570	125527	120900	67245	113863	111991	117302	106416	105255	106978	105347	107096	122699	78939	117215	107337	83724	113493	111786	151092	168697	78864	118973	111898	119261	115625	107934	111146	115175	111052	117896	117196	238436	178751	108861	84379	97947	131617	95507	92925	380133	86867	109312	63429	114076	116350	85236	80838	75712	132662	87013	98709	75477	101707	73377	108501	61532	92241	71008	107041	99907	90103	105760	122097	91653	51897	115428	104458	91616	101249	100843	76096	7874	78012	121743	53031	111683	82724	83796	78313	108191	93358	71058	103269	1	1	1	1	23690	1	23734	1	1	1	1	1	24317	17115	1	26973	1	1	1	19399	1	1	1	20135	1	1	1	18598	15010	1	1	1	1	1	1	1	20302	1	1	1	15247	1	1	1	1	1
C29 H29 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64390	72200	36889	35379	1	1	49480	42547	1	1	27794	25901	16403	18851	1	1	70367	66807	103150	103493	121700	116156	16189	15573	77272	76210	193921	172870	21439	16074	15141	13307	1	1	22863	25366	8519	11204	37602	39066	221915	222830	21196	20951	69626	66242	106186	102922	12200	11903	1	1	22919	25529	7336	9313	1	1	23533	28417	12462	11308	36737	35442	1	1	1	1	20759	20945	20373	19404	1	1	8587	12100	1	1	1	1	10713	10182	15000	14176	9390	9025	1	1	6656	8008	1	1	27489	28262	1	1	21916	26695	1	1	23695	25446	1	7426	1	1	1	1	1	1	1	1	1	1	8905	9216	1	1	10094	12051	1	1	1	1	1	1	24253	22239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7516	1	1	1	6529	6301	1	6726	7713	7735
C22 H6 N2	133296	131229	125552	122424	121920	113799	117504	120680	127529	122689	116844	120838	119866	119552	118986	112716	162333	134815	122992	115820	112520	119904	94286	101805	122300	126938	137567	140976	113732	111640	132601	131238	141495	143050	83656	93405	80742	86803	123287	123609	107248	103149	105503	111037	131355	129543	112499	113758	106737	103062	29803	27408	132698	126949	93310	95638	110134	113979	68285	74572	94756	96264	61517	63564	75600	74562	54569	56716	73820	68409	50225	48964	83024	85691	107057	102235	116102	116564	100757	99697	169569	154570	124432	123254	104720	103727	108804	105983	102543	106298	93853	90134	36541	36118	112008	107528	112634	109320	99347	97989	131925	127712	102102	107958	105291	99413	91691	86245	103114	104016	92911	96426	188787	94638	147822	156525	117420	125151	137675	146708	98604	95075	116677	118528	152707	158229	159623	160462	145095	149089	138494	134190	122233	130195	140541	144382	142773	146602	116353	121558	108112	107406	97157	92055	152930	152400	111545	115388	101090	109542	100936	105716	100085	97298	139108	141428	102301	102463	117755	118057	119653	120170	111617	109513	68447	72336	89536	91244	86336	88746	75171	74106	98703	102788	76317	83573	89440	90241	66159	63733	67378	68659	69137	71211	73925	72017	85082	86689	70236	70516	77655	78027	61211	62903	84463	83375	90372	95522	80053	76755	90848	86072	94023	95147	86206	86885	81053	86476	81703	77073
C11 H12 N6 O11 nullnullnull 1.5579993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	230380	226945	106311	109471	227445	217412	105290	102374	68646	75687	61130	59522	395784	409493	1	1	103244	95891	134815	133847	100898	96088	249427	245982	369299	375895	51179	30796	360394	358429	303562	296691	314796	321617	1	66207	206498	211786	450079	437992	108800	108669	215653	215372	110979	114517	113765	109697	33531	34920	237632	239760	196933	186635	144653	128225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6-(2-Chloroallylthio)purine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19849	22396	27520	28881	27760	29490	29593	28649	28940	30784	28150	26117	32457	29165	22590	19939	26345	27262	18037	20710	22515	21508	29208	30139	30709	28194	28996	28441	39813	40010	35612	19403	26444	22530	14208	18856	33802	51118	34904	33767	26544	27299	28915	40442	27328	27680	32803	30365	26712	24448	35008	35179	28635	26778	47564	36050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H2 N2 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88069	89284	60311	60233	69797	66234	44511	44780	40755	34454	39878	31277	50509	47779	46707	49528	66059	72923	56337	45259	88003	98054	48537	47073	58802	59930	39870	45237	50719	49128	43858	44592	37462	37783	34810	32912	58908	61813	45679	45499	71075	59018	51374	47096	44170	39570	34978	36658	24021	24924	65450	68027	38347	35556	50752	69400	11420	10233	15409	8596	65256	14115	12366	19841	7297	12455	11736	10189	10670	10741	11980	9641	12214	9894	16454	35520	14163	13380	16153	34452	10892	26612	13023	10391	10238	13116	11893	23458	11045	12205	9151	17390	11155	19010	10290	11306	62579	11248	8002	10374	13604	54175	11818	11579	9721	12207	1	1	1	1	1	11790	1	1	17700	19787	10212	1	7328	1	1	1	1	8588	1	1	16084	21949	20900	20226	10140	1	17118	14245	16260	20555	1	6582	13997	18487	1	1	11105	15420	1	1	17299	18907	34078	40416	17960	9696
3-Hydroxypropenoate nullnullnull 1.2144369	219094	211665	239302	251425	179581	168562	235901	236761	250665	256248	186595	178297	198119	200977	228465	193467	276513	268148	235093	239079	154205	154258	316342	294490	167155	170869	211088	221105	373973	332674	707166	685007	750252	738351	25057	25161	288614	285516	32750	26166	384907	380937	397631	412095	804843	833631	28935	27560	305107	313193	61214	69110	46529	46314	117344	116382	472399	502474	195203	204202	349373	362985	888315	896732	1370761	1359681	251341	262759	236400	212861	1287292	1385805	35775	35510	225119	229787	1309030	1359113	941768	1591094	1097555	948128	1103911	1977057	1241817	1240985	263437	285060	1236314	1288257	1252885	1313174	64974	35080	1270589	1359053	1115166	1133892	661786	640287	1260782	1280328	558885	614031	702773	699501	156641	158279	59866	66457	173112	170433	477926	599457	36580	35144	30522	25492	40801	45673	38013	37472	23751	22486	38028	36651	33703	36137	39934	37400	41415	38924	40872	46415	39517	42465	40489	44184	40879	43348	37738	33998	36783	40199	33207	32193	27290	31492	22948	22028	32687	35613	29014	28383	42118	35572	21747	25847	48243	52175	39550	43740	30139	33170	104203	109889	111671	12404	648401	9519	350029	340431	14766	14981	18867	18320	54941	9384	125603	122248	8496	143067	110983	8666	8979	11245	22577	22423	17184	19770	11955	11579	15698	13663	10003	9805	12564	11524	127428	128966	9453	7888	492335	498152	9782	9595	12343	11950	9806	595124
647.3822@12.082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99054	1	16112	1	1	1	1	20616	77177	1	1	1	1	1	1	1	60065	51255	661266	253091	157082	53535	33422	1	1	1	1	1	76144	1	1	1	210696	1	66476	1	1	1	112677	123775	1	1	479195	26722	1	1	189855	29834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H12 O7 S	25731	30587	22146	24936	24863	21724	23658	22825	23840	27797	21488	23050	26935	22071	27718	18893	30608	23603	24601	22915	18047	19346	24200	28328	25749	25566	22593	23883	21912	24951	16729	16042	17209	15998	16338	16096	14374	15428	14371	11947	18818	17195	13281	14700	12510	12246	14080	14489	15459	14837	11340	11904	15406	14431	16252	17688	17314	21831	50530	49878	47830	48706	106262	104258	40839	38554	40668	40326	25819	26719	130116	127286	46135	40987	39076	39860	43744	35938	45032	53757	98938	99596	74676	76956	27171	25867	191486	194776	136985	152198	122499	124592	55886	61735	146247	142441	109356	107937	45068	48784	93028	92214	61473	61830	55418	53710	27278	31465	52634	53483	52761	49388	57821	68236	202259	207159	171605	167794	230249	219794	199728	199242	122051	124877	214833	211659	210404	211062	241969	236173	191312	192671	253773	260328	225637	229419	203158	204130	224930	225708	223286	225655	223680	219759	160749	159994	197694	190278	125031	120345	215050	209154	155389	163440	284591	280697	127486	131082	306481	309749	254737	241999	150415	141402	91452	92324	87033	92191	128154	134129	81428	78369	194579	197859	113155	119966	50229	60303	108776	106616	138619	139142	76569	77204	71403	72059	282454	279724	124806	115235	77553	74893	243892	241921	105054	109119	228268	224435	104179	104010	246610	72131	106996	104180	61558	236205	284420	291924	232969	234566
465.2856@11.070002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33212	23245	191295	54823	21439	11348	1	1	1	1	1	1	1	1	1	1	18412	1	21147	1	16488	1	31143	18115	1	1	82152	1	1	1	27045	1	1	1	29537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
150.056@0.98500043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	104853	90560	86127	91316	230838	241108	48740	47027	56091	58704	65285	65336	439340	440616	41458	44730	43181	47260	51150	49486	111819	119777	393386	380734	328740	320942	27267	66431	538730	535994	393995	423772	450120	260320	53257	76321	410046	411498	411309	415811	55777	55878	229542	233472	110011	116185	111395	117360	22445	26921	119075	58058	90752	80244	198816	173833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80407	37939	53450	63079	46441	56252	51289	34327	64671	88862	75312	99625	86038	88515	13022	22491	22584	87371	18384	1	1	1	1	1	31360	1	76399	95455	1	1	1	21753	62037	183391	507233	113115	91630	254489	91058	124627	171220	149804	59880	139689	68239	57147	100499	83912	128947	94358	160862	100177	9328	56653	20098	45876	174009	173266	173531	109747	99189	165094	134577	164908	102318	192401	1	184174	127676	183543	125040	171868	129098	141848	102759	173543	171747	123497	126109	104370	152376	168575	133769	112667	143707	109214	177912	110153	136897	100383	202270	132309	160725	111882	131485	112458	121337	94101	179102	173902	120035	104459	146125	107571	90987	159591	96577	77575	96234	77903	177338	121343	143586	116022	161919	115374	80708	107404	84322	148179	119917	122239	81359	140854	62445	159089	1	106671	105179	121193	81770	98187	103161	1	118239	159072	90723	1	87835	91168	93399	132229	162902	85598	136760	127431	107147	129472	142599	134872	98675	98032
3-oxo-4-pentenoic acid nullnullnull 1.5526794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16897	16316	17477	20808	192836	202852	80135	72063	16118	1	1	1	90065	98559	1	1	35125	32896	142871	189712	564426	550580	686794	617769	467791	743457	201374	181404	611211	576519	408224	364167	270205	249837	1	54282	373830	350971	323877	345634	167449	164077	478228	491985	102546	123263	136386	136108	88229	89809	158536	172515	133348	69345	31072	171368	30277	38048	1	1	44192	44696	26760	25685	20402	21703	35289	35730	13968	15436	1	1	1	1	52607	53318	71462	71581	20854	21306	19680	20935	1	1	16163	17666	24223	20181	1	1	1	1	1	1	26315	35544	28092	28978	1	1	28141	29087	1	1	1	1	25669	25415	23120	30006	103419	92847	67153	74407	176079	160757	25455	16851	85666	70559	1	1	8662	19470	1	1	133872	129727	279096	274432	33157	17989	189094	231192	141860	153551	22969	23119	126406	134269	1	8540	82098	102189	81624	52071	80626	73965	107526	122915	161284	141305
Fagomine	61653	61078	36631	24763	24554	30914	28231	44860	59825	48976	22585	26031	25417	15052	14521	26437	51500	59511	41853	38795	42519	39177	24375	30249	27136	30224	55639	62540	65245	52219	10751	9617	20558	23221	8398	8491	6729	7846	25967	20877	12328	14013	7043	9132	12401	14383	17276	17363	1	1	1	1	18900	16928	7252	7099	9101	10714	65926	72687	100280	93792	159469	156911	75668	77451	87596	91780	36165	37411	217714	219327	90567	86274	47432	47320	79242	74128	110252	105211	168631	163261	133399	134586	43369	46466	200577	201793	162994	175485	191624	189885	107512	90108	191305	196282	177917	180755	79673	80947	121543	123402	153440	162713	132397	135592	35243	38308	112481	110708	96909	102840	137439	144884	8921	9660	1	1	7569	6987	1	1	8168	9129	1	1	10968	11750	1	1	9996	11400	9879	7770	16081	15393	11480	9272	1	1	6608	7179	1	1	14297	10221	1	1	9195	8333	1	1	9752	10004	16235	21294	6933	8049	7483	9407	1	1	14021	12347	15340	7894	14442	12769	10147	9536	7477	1	13067	14156	1	1	19447	14852	14728	16324	13638	12439	1	1	19962	19446	22856	23722	14505	13652	21535	19883	17192	17642	8294	8748	18372	14549	13136	13091	15347	19954	1	1	14621	14755	16638	21872	13283	12183
229.9988@1.14972	18513	17317	21556	18735	10009	12229	23111	22168	19257	20474	15388	14987	16928	16300	22907	19518	21132	20338	19650	18862	11115	10123	39092	43678	17735	20075	21507	21632	31821	32063	9571	9126	13089	11218	9725	8682	8199	11162	14969	15010	14684	14386	1	7497	11500	12538	15649	14423	1	1	1	1	18315	15909	1	1	20281	21654	14118	11568	19909	14974	52060	71079	12812	11239	15110	17426	14035	14808	89291	78380	8726	8168	11493	11897	11801	10505	12086	12205	33210	34166	16015	17199	12735	12074	238242	235868	56668	62446	82630	76295	8811	10601	110972	110710	16694	15883	13992	11419	18273	17466	15718	15834	8457	14221	11846	11001	11986	13089	7153	6402	35973	23291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
374.8214@0.88002	94662	100638	96455	98875	75650	72035	100818	101558	113990	113536	80316	88833	85240	90385	73081	81119	104869	106141	92003	96043	67593	69184	103882	100521	96398	97980	83856	83121	92916	96382	51173	53226	77118	72805	58940	62545	61038	62684	48934	50893	64973	65319	43545	42850	29357	33392	43041	46819	41173	41250	19125	19145	48672	48676	58748	51100	85531	84422	111120	109193	117357	120548	112021	126020	107572	105501	117590	122429	82590	94373	90052	97992	70346	65311	106314	103872	115794	104382	101748	112299	90469	87647	113344	115113	83576	85616	64780	63885	85339	75826	85948	87344	84498	87580	92424	97478	114330	107230	113172	108273	125660	118120	120718	119896	127079	118917	87447	90529	110904	112717	128638	118082	154224	141989	20115	21943	18893	20426	25978	24454	25514	26273	9450	10830	25690	28008	24789	25423	29005	28411	23349	22526	30617	29591	25057	27099	24769	24113	26090	28124	32762	32009	26390	23100	18049	19000	19807	19674	13791	12613	25612	29058	18585	16406	29468	30842	11726	10888	38435	38918	29847	31055	13005	13346	6763	9314	7637	7578	10194	9524	1	1	25500	24279	9598	9640	16875	16592	7478	9422	12840	11082	1	1	30124	29973	39887	43928	12084	11092	31623	28960	35251	34761	8612	7622	34119	30469	6993	6949	27528	26738	6480	6811	26338	26499	34024	37166	24958	27878
797.4334@11.477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11145	1	23378	1	1	1	1	1	1	1	19537	15126	241105	34737	26387	12092	1	11760	1	1	1	1	1	1	1	1	72859	1	28643	1	1	1	85984	15411	1	1	55921	1	1	1	21846	1	1	1	18142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H7 N7 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16808	14999	16614	15879	72379	72689	9619	8742	6657	7256	1	1	89369	82029	6342	1	1	1	6326	6790	9906	10847	60339	64477	39219	42616	1	1	123755	129822	98853	99174	77078	76759	16241	19441	108959	102556	64920	67341	6813	7444	50411	50355	18826	19168	14914	15725	1	1	14901	14605	11446	11219	16664	17336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
92.0364@1.261334	118666	115523	137657	144893	90152	85177	135404	138530	131611	116321	88356	86845	106157	97906	89841	101266	141709	140316	115083	113965	92600	94137	127684	124594	97635	95766	101817	98605	139028	136560	22201	22830	24734	22228	16174	17457	20679	20219	17344	20472	21458	21619	20183	22157	13548	15394	24632	29560	14321	14826	6648	7090	31778	32116	9461	9635	22133	21344	65958	65586	97721	93980	141365	141945	47977	44912	66699	66773	62386	63049	235051	223923	134257	126799	88233	85532	34707	38011	58084	59249	125890	120517	155156	155622	43746	46944	196056	193433	144298	144488	175058	175294	45535	51026	194394	190380	150777	146890	86582	80516	133085	132347	66050	68215	91381	89536	48041	42013	82950	91862	58231	61956	119227	106945	73876	76251	65492	67767	86077	92263	91797	83337	51606	54793	77397	84015	77375	76232	92866	97046	87811	86607	99300	98913	83430	83937	90720	93820	96937	101938	88486	87210	86917	89370	75435	72329	67200	64579	45033	47258	84684	81072	55170	55807	93933	89074	54382	56541	121271	121712	91970	92332	62866	62731	11446	12729	14002	12447	11816	12703	7668	7527	30058	30692	20819	18335	19872	19275	10715	13679	20268	21345	8005	6172	29821	31656	46655	46722	16003	15026	31435	33053	41081	36777	11932	12925	28320	28199	12787	10851	30593	28548	11968	11084	26349	26090	36892	37188	22509	20850
231.9036@0.8593628	199887	199378	203349	205701	219871	210191	200721	194912	230260	217805	218758	214112	220665	219982	165156	185426	218474	217985	209770	204862	199713	200422	167109	172762	218312	226151	199432	198786	183761	197843	235695	233786	260488	264086	244411	245301	249972	251522	227006	227435	250523	253758	218583	223353	201863	203679	216284	220682	225292	232231	139148	137635	228313	223296	258896	248341	263939	272181	130236	125268	140471	143533	91605	96246	166204	159948	165826	165386	158210	153363	63663	66084	81708	76178	134887	125292	154249	196393	160630	165528	85009	77604	100096	90089	143499	137533	43575	45156	51221	52847	56915	59163	74834	59751	57390	53748	65741	72548	126169	119874	79788	81868	106560	107207	119020	116311	146937	149318	110108	104864	122948	120184	119621	125462	146521	152754	165772	163339	129591	119130	160437	161783	158348	161001	154204	161333	156942	158380	150009	153511	165184	161560	156192	150935	154687	156668	175948	168463	159902	160271	174246	177189	158245	155612	185855	180086	169868	164845	189879	180519	181639	182736	175185	177535	108823	110363	173206	177548	132677	132272	155366	163732	180662	181227	81588	80846	82558	87361	79208	78219	126153	131949	82069	86355	87683	91341	131800	126783	98347	94915	90010	94370	97849	92207	93965	95027	91770	88163	98120	106335	90762	83273	97074	99715	96418	94635	88555	88200	100258	95757	95676	93654	139187	140992	93171	98389	89572	95901	90058	95168
509.8157@0.8708954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	245976	252156	197261	197463	194387	195119	238158	244862	257424	265569	202863	209012	170046	172909	164524	159722	281210	275488	259296	234302	156022	168256	97167	102434	151004	161254	194795	194838	173758	173317	166635	189683	203572	193354	148131	154891	231526	229223	216671	208276	237099	237361	211332	207391	213563	223792	227195	232225	267248	281876	178727	178999	244539	231236	290165	264589	64966	62861	75029	73926	78523	83357	85019	81485	74624	75764	79840	77110	73088	74635	59919	56746	76159	77391	60975	59690	59264	58503	84601	79237	69352	65077	88522	86220	69021	65055	87271	90759	71051	69303	84778	84762	83382	81209	71418	74300	44536	42793	72168	74328	77362	80747	66823	68808	63707	59016	34031	36756	46372	43605	41939	41428	60004	62941	44452	44830	57545	53730	48008	47927	48394	49740	53009	49506	49109	49076	43714	47971	53601	50747	52823	53952	41240	39431	68556	70627	48025	47880	55293	52368	48979	46646	51216	49323	46142	49066	48323	49582	38493	41399	40584	39634
225.0307@1.1803029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12428	11452	24329	25295	82904	82829	7927	6848	19824	18510	7970	1	198727	197737	1	1	8913	7414	10059	10003	20889	22996	134730	135184	72804	70160	12530	11621	204351	206092	141298	143250	191140	189359	1	1	168625	152992	129181	120261	10801	10779	85650	74403	38954	40498	27414	22748	1	1	1	1	8592	11513	12087	23831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15349	14608	10339	7594	1	1	1	1	21370	23182	33453	37000	13645	12038	34035	32732	74221	73576	25605	23809	18361	18354	37099	38691	70295	68950	19882	18647	49548	48013	16913	18068	34323	31742	16796	16811	20869	23017	8698	9945	15292	14757	31587	29913	23014	24311
749.8187@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91753	89899	93721	93711	62533	61879	92435	86253	91016	80539	76865	81574	43805	39638	160394	160387	148850	150820	89731	37780	23013	33319	40444	35448	52299	57963	77580	85784	38708	41378	54510	57599	55670	56170	113860	116634	60988	56819	87160	78456	157855	169115	104571	96044	145262	148348	152606	137094	132175	131986	143501	142097	143352	138016	190887	162973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.875071	136147	139270	137349	142903	175832	160306	124606	115183	126439	132202	160647	161241	155832	158048	147274	146266	126953	121439	137804	130599	164445	165299	110535	107511	142327	152091	149694	152969	116113	119090	243128	242349	235344	225725	251342	241792	236104	243525	238519	242822	229575	227533	249062	252936	239799	254007	247627	242411	242166	248047	193190	185913	235787	233442	269025	266531	218300	229527	105715	107252	124451	124590	53096	52335	153281	153994	148817	153388	175124	175499	35657	32965	123468	122485	175427	173943	141788	136950	111770	120525	48504	47604	63140	60031	157338	160288	23628	22812	33323	34834	37924	35565	81437	73222	37388	34599	48304	56415	157913	158956	70954	70995	117172	124040	125791	127147	202697	197350	125260	130354	146653	146091	132485	134158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
82.042@1.2286487	19032	20259	14820	20370	12826	16061	15817	15070	18708	17113	12672	12483	17048	12394	13304	13336	9911	14122	12424	14254	12018	11001	21375	15766	16463	15131	15553	18227	15452	14970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18889	16179	1	1	1	1	1	1	12972	8722	1	1	21161	18020	52828	46037	73743	73367	145423	143605	47868	43358	50363	48551	40337	44831	242656	231819	51072	50913	65305	61172	54829	50707	70816	76650	220246	211328	183264	188910	57884	63798	408608	406169	352523	374439	246340	257400	54783	58057	285630	293384	226687	231291	66431	65699	237543	236693	81160	83826	101658	94731	62325	60817	119536	117960	73348	78813	139083	123463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
684.3505@11.95425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14784	1	1	1	1	1	1	1	23970	1	1	1	1	1	1	1	38074	25121	295673	105397	31525	1	1	1	1	1	1	1	9389	1	1	1	29976	1	28476	1	1	1	35698	16919	1	1	140772	16188	1	1	38812	1	1	1	30700	1	1	14186	16388	15480	23320	21851	1	1	1	1	20538	18795	26761	24778	25530	27852	15650	1	36104	26017	1	1	1	1	23167	21563	43358	47144	28429	26184	1	1	24115	24860	1	1	1	16374	15360	1	74701	57179	1	1	31654	31766	33690	35348	1	1	23012	22647	24361	14251	33721	19054	1	1	15776	1	82266	86296	1	1	1	1	20423	1	1	1	11985	1	1	1	1	1	1	1	1	1	1	1	15237	1	1	1	103692	1	1	1	16018	1	41978	74908	13358	1
293.1991@9.271831	29266	16360	13447	21939	10378	33652	42758	1	32194	18303	8117	14192	14597	42554	1	9777	9663	14218	39565	32037	7881	32166	1	20240	37945	40244	8629	22646	18889	17772	45040	49234	7161	26647	21858	37450	13472	17027	7584	13972	20882	20296	8842	9112	8362	14806	32797	44265	19309	22966	8031	9194	14243	40890	10541	8923	16014	8628	1	20009	1	1	25187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7730	29128	1	1	27753	1	14898	30004	13395	1	1	1	1	45042	1	1	189712	1	21460	19374	18278	15870	23907	18349	18019	18498	20174	14866	18005	18417	20351	19720	13980	17352	19652	16032	15691	18698	18519	16410	16178	19151	20016	13555	17314	17372	21657	18036	15389	14119	14882	14719	13828	15053	18019	17070	15919	23631	15404	19088	9851	13464	14774	12521	14356	16998	14825	16462	14174	17553	16977	16788	15481	18224	21480	16240	16694	21353	21507	13067	18339	20468	19088	14157	17093	15111	18937	12677	18933	19236	20498	20905	15203	14510	19682	17708	19581	18325	15507	11747	18751	14480	14246	15618	13988	13637	15402	17816	16611	13176	16526	12293	18044	15242
Citraconic acid nullnullnull 1.564499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41668	46203	33151	28596	91309	90643	61118	67680	24546	24019	1	13597	80960	71035	36346	28738	48791	47805	100144	102146	101690	87003	106009	94222	175197	180323	41195	36518	141128	131992	166729	169186	93625	88154	1	38091	147530	168462	217674	213982	117332	126850	250345	246452	68903	77203	82062	70105	46984	46975	84697	84513	47162	50932	58829	68505	1	1	1	1	12174	11608	1	1	1	1	1	1	1	1	10370	1	1	1	1	11922	1	1	1	1	11023	1	13899	1	1	1	1	1	1	1	13996	1	1	1	1	13741	1	10876	1	1	14220	19805	1	12329	13820	10526	15093	1	13875	12171	30814	31446	19543	20164	58821	63082	1	1	34425	37760	1	1	16724	16143	15053	16564	76293	76380	59738	61019	19892	19445	81068	76410	52507	45277	14329	15163	42875	38589	12605	1	60899	52246	30232	28354	56504	51620	69769	73410	59791	61075
C3 H2 N3 O3	105916	112434	154643	120973	24506	20838	41207	140848	32726	162040	36220	16923	29645	43284	113800	110509	162232	27078	102654	98993	7802	141857	102752	120255	165266	202106	185569	178800	170292	144646	49914	27660	27331	51392	57067	15794	53486	9328	29973	148690	31893	47619	36077	56198	152969	141558	31380	184238	151950	173881	199118	158761	28420	194526	167517	63533	57940	62107	132724	124004	115990	119475	54269	76576	105353	86864	133256	106243	82907	86878	76718	68623	120856	127759	178559	118658	143445	131645	94766	144217	106825	110381	75817	94959	134780	107552	64845	61329	92716	76516	60760	79967	61535	112638	85145	94931	105620	181850	147475	214722	137417	135578	186797	108047	204240	141661	197282	150466	165951	211450	192134	179641	260612	207644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H N O10 S	99381	102061	98549	94681	84466	81398	100630	101275	94919	91186	72507	76028	90129	89403	93608	98032	93367	91259	94287	92191	73194	78693	111443	104313	89546	97436	94740	101137	107424	111596	44305	47266	50152	52192	45352	41562	42364	41044	50234	51405	60460	62806	44499	43836	66117	65953	54906	61463	34266	34841	31564	31300	60764	60837	16376	14369	75203	78358	138059	147916	136503	134171	116633	118834	121222	118743	125611	127435	108912	106723	126045	123574	132959	124044	128356	126807	120338	95589	109088	109009	110158	113886	130354	127257	102880	104784	92645	95900	113121	115621	121211	128102	98926	110602	146612	147734	158531	155212	152119	154891	165754	160928	175383	176142	167633	158708	104871	109011	169572	170956	159933	159432	212407	170748	87797	87234	74544	72956	81021	75145	83928	85091	60029	58978	94442	90206	92243	92522	104777	102957	85817	87020	102494	112764	104783	104015	92203	92719	96933	97564	99787	99299	101435	96770	73899	74612	83167	83711	58130	59690	90512	89881	75859	78988	101016	104063	64991	63927	96609	100899	114850	109813	70353	68141	32965	34618	29281	34069	40793	43411	23286	23378	66472	64589	37305	35744	51511	52434	31854	31833	39657	35474	25273	24851	52708	54151	81672	82101	33960	34495	55492	57064	73084	68599	33181	33484	65216	66513	34022	32212	53654	53801	30393	32865	55766	62337	59473	57096	68003	67009
303.8952@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89292	111066	89532	86066	146711	139743	79259	79066	86775	74815	67310	67292	169555	148451	67450	70119	64922	65787	72611	74169	89861	91121	106660	111001	108295	114607	66650	73965	217088	216270	187235	206477	190300	208568	122061	141742	221525	239669	175046	178839	75707	75170	163049	169356	97246	90906	102524	105336	62301	59100	89571	102893	92982	92512	124938	100751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
157.0262@0.93399936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	521819	535278	487690	473389	556006	569690	549982	542852	569275	562859	505974	487085	561629	574351	436322	419636	521264	539313	546958	528945	471900	494496	348914	333138	480380	503021	458506	467259	462311	455692	445617	463778	516094	502760	398821	422299	573906	557254	613398	629331	567701	566943	582403	568264	541328	548103	594016	589379	565609	546750	490566	477401	578904	559830	712462	671295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methyloxaloacetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61556	52248	178474	179374	580157	571006	100043	95919	65270	66112	64864	46575	846513	876888	32619	21112	84990	83386	118284	121242	158414	171102	667494	521441	357529	386500	164139	167874	1491080	1548135	802684	822687	819228	818309	23849	34262	721225	747179	444888	471549	163068	158864	568112	559413	150657	159048	132835	141373	49626	49901	69279	68941	1	60391	199391	123369	186369	175481	170260	281792	155043	150726	209129	218162	206894	300451	184075	85001	189152	96133	272268	101650	171279	185528	193165	78503	311432	218790	300134	233500	68247	201354	91071	215853	209801	227045	163782	171215	78549	210002	98707	201526	101105	100333	226303	221636	189283	202591	263118	170851	130344	89148	85528	212505	217144	53938	385454	291114	119721	350697	163327	266607	332906	261057	375090	417137	181973	104557	135363	84695	215152	212537	136595	226093	613863	348403	193511	228258	69019	92152	182451	88063	267732	221975	80405	504763	360729	65572	214842	200928	342385	386555	183915	209309	136567	90516	360110	185087	302772	495168	296024	261413
289.8659@0.860084	148319	148595	165736	153565	161463	161837	143107	145958	161263	162074	173540	162477	178404	162844	144228	141460	149558	157755	152962	154841	151160	149221	127443	134910	155550	157597	142260	144966	135280	144636	198712	192151	205194	201088	200368	197641	202226	198702	186200	189812	195276	198402	184022	188143	176001	178616	187460	184665	181891	181289	116504	112792	192544	186493	205500	207853	206962	207255	141740	141745	150852	139904	99962	95644	177123	177993	175979	180865	161928	162626	74253	66970	93360	89047	149121	153022	175995	229300	190165	188253	88791	89754	101188	103215	166177	157541	52704	59989	61328	62443	62827	64821	71534	68328	63340	62664	86239	80505	153051	140152	91648	85446	116857	122063	133253	126599	169978	168290	120516	129262	139009	132440	136648	143535	167173	166540	192702	193441	132782	129100	194678	190542	189675	192488	190532	182142	181487	181560	177168	171905	191571	184284	173963	171495	177219	180226	195170	201161	176784	177490	191192	191656	185685	178142	214961	216830	178341	184805	214166	208218	196034	200416	194730	187414	108985	113556	188474	189755	127417	123734	176907	180456	206200	198905	84057	84914	93677	94054	77157	79186	142401	144400	77951	75982	97204	98115	147424	144777	97787	99431	93820	92277	98413	98020	87814	87875	72032	72941	103600	100698	84993	88845	86481	91953	104371	107066	76889	79726	102123	97261	99672	92640	176137	166567	87347	93738	83452	84611	88817	90992
58.9829@7.8739953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45776	49437	38256	32439	129608	149631	7443	25502	53386	60733	49369	49232	125348	117724	15961	9537	14965	13228	1	1	1	1	143229	154260	64281	60716	13720	22626	49431	49806	181545	188513	76598	72444	30577	32299	57188	66304	60581	68228	33150	60475	74085	77358	69807	70326	42188	127129	45153	41260	22960	1	71876	64135	28095	49043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.8426@0.88173443	128516	132215	126884	125115	128148	130315	124330	123634	154067	150439	130521	127573	123295	116091	82457	73668	138067	148251	116734	122523	115226	114092	97323	95286	129487	152083	109488	114029	103150	114104	142221	143142	185083	182115	168934	177730	178831	179091	123271	119385	164811	179092	117918	124326	73042	62378	101180	102614	133716	138765	61872	69103	111612	114532	214886	210941	194926	196508	146608	147840	101209	104880	116322	104894	137505	129184	152074	147217	103583	101897	82096	88179	102145	98282	151488	155587	144915	121898	71323	80127	43249	40995	80545	82097	85074	91190	60805	55729	60982	71642	82437	77942	53393	60239	78635	76543	90675	92080	141044	134733	101385	96772	118794	118252	127593	133585	155608	157304	87816	92269	135053	135414	151461	155962	112787	104920	131414	134850	153786	152540	149020	149760	137991	139232	139416	134381	122689	124364	88399	84350	131563	131342	91701	84213	92910	91479	146329	138143	110590	105717	150508	160007	111087	110646	158968	164085	125244	122956	160399	163067	152939	159765	133479	136442	72654	74324	126113	132297	143081	145376	101382	102003	106071	105935	64568	61843	97143	100044	88410	89990	141738	131653	85548	82204	119519	122998	82119	85805	97854	94031	111590	105621	108469	100282	83583	80674	92584	92430	123631	117988	68528	72045	137170	131957	93245	93146	96505	104541	94402	99243	85988	88589	71032	72170	96360	91927	59531	72579	68551	74038
C24 H2 N3 O15 S	89741	89937	85329	83503	131847	134395	74801	75720	92898	91085	125797	128254	111924	109640	107419	100834	82210	84191	97427	98482	141960	140022	66909	65736	121737	123299	115467	113558	80020	79914	272528	273021	279198	272820	293879	286239	290866	281407	271849	265127	276427	278215	296182	300214	291822	297304	283291	280996	312235	324817	307048	301816	286536	291269	332526	327070	287677	284069	69474	70036	75096	72807	29115	28315	98909	93562	96000	96521	96665	94346	12450	13058	159189	148891	172494	169143	108253	45055	24861	27145	8972	12251	19816	25503	78732	85924	5983	6895	16242	15363	17656	16967	32436	65497	24956	23243	36113	38206	164442	166760	52749	52546	113094	111078	111343	113699	189492	189970	116044	114886	134712	132086	171188	120519	169483	172806	185875	179423	160099	157607	169989	163118	193431	185060	176193	158732	164779	165691	162506	161415	175200	175521	161191	167588	162096	166427	175084	172035	173887	166882	169924	167351	175464	171876	189242	190837	184583	174424	193509	201087	174140	172738	186351	185611	145671	150066	196036	199435	140673	142475	171517	161356	187803	187145	208236	207299	221809	219240	202674	202773	268867	260317	161146	163877	228771	214247	231059	236997	248893	231523	214095	210117	260469	258435	180126	174242	134052	136829	233763	222174	162827	160757	155617	159837	231475	231798	153873	155478	234183	238715	186574	180457	277497	281995	185123	191666	155941	151877	172137	174433
210.1624@8.937802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19854	18516	1	9360	1	1	12358	13267	8097	1	16360	1	1	1	1	1	1	1	1	10896	1	9465	9847	12728	10016	9554	22498	24460	20157	21009	1	1	1	1	31586	29519	15076	15979	24419	19120	1	1	1	1	1	1	1	1	20673	19578	11521	10132	189731	40975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19345	17253	1	1	21260	21970	1	11224	19659	21910	20471	25582	22832	26490	12931	16750	22255	21712	1	1	1	1	1	1	17358	17154	16371	17842	1	1	1	1	1	1	1	1	1	1	12568	14313	11378	10133	14608	14882	13098	14207	17471	16937	15196	17357	16742	16377	17033	13508	17362	17164	16132	15973	17096	18360	14615	15763	17247	14860	19686	16641	18210	17613	16585	16687	19863	16936	14375	11338
C16 H4 O17	109852	109295	111439	107290	149499	147365	97544	98473	111403	113093	136932	136403	125798	125457	121129	120579	105347	102029	116133	112285	140980	140089	91681	92215	134181	142859	129194	127571	99050	103584	236381	230239	234041	233788	246229	244621	242293	236878	234101	235859	234143	242527	250368	256181	250056	247719	243536	241855	265852	276097	267273	259475	261088	255714	280497	276939	255222	253482	88266	82538	90948	94619	54459	62623	110646	106036	109195	104271	106012	103935	37022	19573	179415	165363	171817	180551	117963	59357	41528	44923	30167	30068	39938	49480	95074	102978	23697	27100	46287	40920	41992	44722	46681	90429	56119	53623	69513	71366	172295	183818	83029	81935	143581	144278	136814	135727	205667	204980	143254	137888	157166	156814	202555	149949	193240	189700	195023	196161	174339	172498	190026	185014	199794	194426	197275	183724	189950	191087	186981	182795	197387	198913	186187	177817	182930	185208	193960	192862	194936	188237	188031	189699	195394	192618	197660	200366	201333	199014	196829	204642	183123	190380	198117	195416	157944	162932	199388	205046	160615	163408	185236	178181	198880	189441	219051	207236	221243	211539	202472	202070	259254	255879	184818	178578	225972	224844	236937	236864	239944	239622	221938	222496	240542	241483	203537	200474	160098	163888	232279	224949	183413	189606	183323	191784	232161	235363	188641	182469	226452	236780	205683	204083	271593	275929	203170	209056	183094	185850	199305	198852
C27 H48 N4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31184	1	1	1	1	1	1	1	37264	18483	36728	19545	21399	19366	94447	159982	90675	385074	1	100028	91839	33463	23754	18258	57644	19034	40315	21035	39036	39269	25859	188890	33380	101743	122524	40865	27566	33229	32466	29914	79921	168874	45904	28096	34822	123664	187753	30128	30463	2734982	41519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83496183	62535	66039	61787	57620	111457	108095	48968	50246	64817	67462	102108	101961	84810	84029	80458	81483	54541	60723	72385	73173	126305	119905	42254	40132	86362	87251	80063	78559	50043	47450	308010	320540	300971	306183	324058	323611	326923	330051	286869	290574	314168	310287	327786	344903	318104	310437	298704	294293	351496	356806	346437	343920	307294	304926	385218	380413	296023	306387	47487	44795	54059	53946	13440	13430	75017	74358	70308	73559	69264	69000	1	1	122180	124972	151039	147847	88103	32212	13798	16057	1	1	11582	12062	64904	69767	1	1	9863	8754	8769	10141	35843	35228	13396	10074	18811	19326	135363	135880	28136	29344	83225	85317	82712	84541	169559	173643	81996	83069	99842	104445	110770	88418	185095	180049	195613	190199	164606	164954	173969	177647	217850	221014	176086	173789	186263	185255	175523	170285	184373	177424	162400	163535	167598	170521	169821	173651	166905	162660	164572	162152	171932	168043	189249	189140	184954	185946	206993	202163	178348	175590	187943	191645	134425	139161	204179	208210	130642	125270	169484	162328	190958	199714	188032	191510	207154	210131	182742	181076	276123	269308	122649	125939	198957	205774	206613	208652	228329	228156	197977	201638	263300	260179	147688	145242	92410	96596	218405	213507	127249	131537	116462	119562	231862	228090	123918	125628	225625	236907	149921	148859	286205	278840	157346	164744	117052	122604	148930	149772
375.0443@0.896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15290	13508	1	1	1	1	1	1	22047	21027	1	1	1	1	1	1	1	1	12073	14583	7934	8306	1	1	40435	40531	26608	24730	18605	17724	1	1	23951	23733	12431	12922	1	1	8586	8556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dehydroascorbic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32905	44239	34512	54530	260090	268621	33566	13405	40125	33899	18506	28565	242110	277868	40670	32304	39416	45529	35624	35637	22508	41392	137305	128401	57223	62316	7811	16426	808686	959165	230056	263703	314296	338498	94849	17586	458156	453228	87029	68856	20965	1	85939	58744	39416	11915	35643	24696	30057	1	105366	41493	72367	24745	147124	78167	17878	12053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7553	18073	19601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14134	13112	1	1	1	1	17004	18362	1	1	1	1	1	1	34441	35792	1	1	16706	16037	25704	25359	29928	32644	19773	18469	25968	23443	110426	115847	1	11362	40792	41268	93228	92900	10768	12933	70708	68150	10318	12680	27991	28913	1	1	23551	28312	107869	100657	41984	43120
299.8946@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135277	133002	136768	139422	83203	85765	172037	171120	160398	167079	150336	149293	53698	54032	87695	84313	136191	140368	152208	201116	154890	158671	66999	64408	89016	87003	159010	143953	44582	38479	53697	44388	51104	49093	62722	62934	52407	54343	63306	65396	135982	131152	68610	64871	101019	102957	106745	111392	152323	161073	106262	109793	131616	127302	120721	121042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9335@0.8549997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87658	86250	45409	1	1	1	73288	72422	1	78734	69184	88655	90055	77549	1	842332	1	1	1	1	1	90505	1	1	1	72287	1	1	1	1	734729	1	47120	50035	1	1	1	1	67609	1	1	1	1	1	1	1	1	1	83007	1	1	1	1	1	465627	1	88462	78666	72068	92068	60302	63045	74520	87095	69596	90792	86511	79765	84843	82996	80503	72370	93814	89867	83386	97984	105683	89287	83033	833063	94801	76839	71632	82833	82103	82765	52156	65526	79196	74365	90292	111377	78597	64923	91987	84581	57776	1	1	79492	1	1	86557	86865	89650	88553	31023	1	38792	1	1	1	48956	56327	1	45276	42511	40432	1	1	1	1	1	1	50626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43290	1	1	1	1	71463	1	1	1	1	1	1
Furfural	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48774	52175	44249	50093	236479	189882	62461	54251	52641	55559	16148	28264	118081	129440	43473	37690	39242	51849	59919	71099	84169	69129	167270	157950	184996	205163	34763	35328	380929	360948	178285	190787	148186	127664	1	36403	249105	262437	178464	188078	89488	84953	287858	280121	66326	71815	72112	65103	46308	45973	90223	73775	61470	62821	81230	100895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19740	15203	1	1	1	1	1	1	1	1	1	1	21005	22847	13049	14003	1	1	21542	24492	10770	9666	1	1	9389	9243	1	1	14561	15483	1	1	10846	11725	19116	18580	15745	15541
C15 H9 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14204	13554	14845	12995	48440	49481	1	10702	1	1	1	1	86195	83915	9199	9592	11303	1	1	1	9471	9064	46078	51941	26857	34272	1	1	152339	152070	90511	98985	69840	73848	11667	16558	94404	93604	52233	56626	14995	6287	34140	36599	17871	16870	14506	13526	1	1	13733	13333	14007	7132	16631	18062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
231.0652@0.99399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99450	98210	95630	81501	94343	112577	114848	114111	89502	109294	102009	89355	56720	85106	86326	67357	72735	85191	87702	94015	81679	90744	70562	68344	78567	76630	83552	69997	44187	62587	32439	65562	74884	51323	82722	85010	80171	80579	80718	66803	69623	84210	78722	48919	86577	89849	81220	79896	70386	83357	74597	63241	83540	78395	42263	92531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
757.8279@0.8389993	135305	133059	138355	139982	107068	109255	150440	148142	135907	138460	117324	110615	120583	118908	128353	132655	130033	134512	132382	126901	101824	100725	153314	150717	127607	124965	121622	125467	145384	150613	22157	28057	28671	28253	22154	20614	25427	21584	30425	29625	25671	26437	21920	19369	20405	22585	27773	30604	18172	19323	24877	24234	36609	35434	18428	17479	32534	34687	79783	73059	85398	82244	107442	104890	66324	62960	65126	65213	53060	50956	64982	69449	133017	138877	94201	92981	78669	29353	36242	39206	48291	57189	72899	86248	53922	52234	53012	59932	96809	95378	99333	100775	180441	183179	131569	129890	156112	150059	116173	122639	173247	169179	148327	149853	142926	151698	69311	65519	149482	137368	124262	124943	220301	156832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
263.9832@0.83899057	163145	166473	178694	183839	176961	169683	166938	164708	165596	169506	167281	175587	174095	171685	176985	172615	167134	160047	162611	160276	158433	162015	155238	157904	182293	191169	174119	168991	167860	173476	165021	165842	174871	169239	168090	159411	169875	162383	175020	172472	169571	170264	168755	171943	171333	176558	172801	187291	174736	183865	181080	184764	205948	195755	187657	176671	187972	200025	87482	88866	96572	101628	74713	77376	105894	107050	105244	107563	107108	111257	51321	54914	142128	137767	143065	147982	111713	70842	61864	63044	47321	54527	61440	67416	100808	107446	48135	47743	67431	72478	70453	69337	58156	120134	88933	86514	100271	103425	152814	156822	123988	128502	137124	146540	149099	145078	165365	162227	145884	144205	153680	149672	211715	158980	142752	145396	154244	162305	141601	148539	159727	152625	147543	139467	157222	142969	146826	160131	151587	143178	154810	147998	153822	149159	143887	149143	146519	148316	160634	152933	149738	155214	157367	157099	154873	166724	160361	151296	157086	159162	155603	158044	159829	157520	139255	140409	157580	160306	158361	149567	165350	156838	161866	150331	156198	148162	161776	155575	158491	154268	175442	174676	153031	154728	162645	161661	177033	185364	166715	161944	155953	158001	168094	166639	164926	166872	152985	157004	164266	161614	164157	162558	163731	169086	162806	157412	160178	159074	164994	165925	163283	160160	185150	184230	161878	164531	162677	162485	174031	169118
357.9291@0.8221423	40156	40758	43797	40586	35090	33342	41202	41142	45909	42743	28788	38491	40289	38531	35975	37043	45209	43705	38844	38732	34319	33221	40203	44820	35807	40742	39774	34887	42539	42467	19219	18715	23094	19960	19214	21611	20628	19409	20240	18737	21147	22085	15702	11885	12955	12215	17076	18194	13111	14213	11904	13441	21653	22030	19209	17777	27526	25427	26588	26732	25319	25397	33766	33055	26351	25073	26738	26055	25937	22351	29226	28101	34732	34046	33387	38314	31044	25427	15533	16859	16450	18092	22132	27928	20467	20852	28588	25744	31973	29385	34978	35403	41765	42850	43247	38316	42523	46389	37239	38034	47094	45599	36236	39671	39282	37430	32501	34673	35665	36967	36536	37775	54877	43158	9734	11108	13490	13623	13645	12675	12537	14252	10863	9585	1	11162	10428	10015	8877	8472	11697	12122	6949	7141	8902	9528	11510	11000	8870	11059	11154	11262	9161	8643	12948	12903	10215	9904	14786	12041	11820	14429	10038	9309	6466	1	8289	8707	12693	11561	1	7959	7529	8848	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzyl 2-methyl-3-oxobutanoate	48207	60675	24670	21244	14272	18206	16611	25210	26696	22682	28403	26355	48294	50703	69627	67173	41095	47006	33374	29521	28559	37350	38297	44507	19785	19591	23016	26925	18295	25313	11854	60713	12699	29607	9028	8008	12382	9678	16703	19607	20302	20129	9169	12848	47110	6056	22202	24839	1	1	8396	10138	25525	29145	1	1	19933	18056	11999	13897	29966	30687	13356	14230	14029	12884	1	9115	17514	15263	25104	25114	24839	21550	9051	13137	10948	10846	37673	41269	57296	63751	63034	73254	28511	26061	28256	27437	33210	33914	31296	30595	24852	21808	40902	42386	58449	56152	27413	24274	53799	53765	29422	28189	42802	37670	10246	14120	58230	53877	26379	24485	15646	36211	24313	16647	11901	11094	17904	17465	10101	12725	9993	9959	14631	12913	8572	1	8625	10946	6964	1	16553	17712	17797	26266	17418	18482	12570	7656	10985	21319	8604	1	14708	11731	1	1	1	1	13159	13310	13631	11242	31711	36080	6848	1	21182	13246	11403	12224	12719	13421	12671	14547	11657	12245	13020	10729	1	6978	20540	24931	13034	13052	51688	48600	8781	8952	1	1	8744	7893	32211	32414	41057	32511	23811	27586	19655	17163	13335	15556	19598	19886	23333	28292	7817	9464	24638	24218	1	1	16240	12475	1	1	27911	23241
Beta-Propiolactone	157781	174210	156800	160896	109955	101416	152618	154529	178958	168914	116364	102949	125345	128191	119005	129548	154534	168718	141112	130453	104043	99659	160586	157599	111463	118852	146757	143281	165287	165867	112005	100477	190683	175564	125613	114226	93181	94267	190488	218033	117616	114516	129010	145365	132929	130960	195521	199735	55057	59413	45212	46746	212628	222549	45997	42249	172409	183251	34902	38484	33140	46046	1	33706	20306	23037	26286	24522	11134	11688	37726	37314	37562	36036	26560	28256	37296	26346	42184	40749	34026	30658	66011	68065	31225	26490	101954	104880	44142	46023	30706	31684	15471	28125	61830	62111	51211	69564	51664	50491	55308	85542	39075	41529	43499	45993	1	20162	44004	48831	43244	42658	56940	37293	25220	1	25085	20059	23279	18811	21389	16255	19113	11268	18262	22707	33283	27445	28009	28655	20617	19344	25524	21622	34178	23769	11203	23480	19531	18817	12700	1	27728	22906	1	11591	28627	15848	28275	30583	15730	18832	38329	32236	40850	30577	21320	19037	27778	17591	8430	25742	35723	35930	21706	26632	17731	26057	81677	70229	22054	23616	150151	151055	36002	38791	60487	55675	30367	24010	53635	43249	15438	15356	103782	109080	59538	61592	31298	22093	69158	69978	45676	49026	23326	24319	48923	50266	20123	26424	58681	63517	55437	48448	89897	84439	67661	71011	106282	89548
cis-2-Methylaconitate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21135	18450	1	26949	32745	23454	26100	25624	26538	25909	16641	15860	32697	26428	16781	19510	20664	22054	13569	18807	30843	14193	79952	75298	43736	39551	12609	29968	474849	483620	120264	89923	37883	40561	1	6169	119073	133409	65293	46280	28257	23781	115677	77582	13610	12516	10372	11362	1	1	24780	25520	8074	9829	38108	19754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.8844@0.85105246	74992	85059	87629	78779	57006	65321	82259	80159	84151	86709	62416	60603	74537	69994	71488	65197	79534	85578	62878	80655	53900	52425	82536	83435	68614	72958	72520	67639	68791	89712	26085	28967	27335	23878	28268	28894	27164	33992	27903	27758	25579	24663	21425	23046	18940	25600	24382	23228	20829	22593	19884	15617	24611	26931	29192	30194	34607	36465	120825	102121	121395	118007	139135	130641	105287	111735	120034	115758	88381	91704	121187	124418	87560	81216	98094	99584	111250	86938	80583	100228	96521	90329	111954	109975	81180	88633	90838	100328	112036	92005	89917	110798	82278	82803	117707	107514	132353	130216	100775	94924	128052	127894	115283	114142	121473	106652	82099	83918	114096	109580	103044	102315	111123	124752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.9306@0.8865571	67410	66217	64338	59670	58771	58622	63654	66358	67732	65599	30056	34974	67242	62605	53873	54670	62905	63917	61181	65093	25695	48949	66024	66064	57939	61984	59994	57604	63703	65206	12352	35525	46298	18356	14301	12159	9123	29679	41110	13924	25554	23421	12159	26258	28252	16135	17987	14971	15860	18631	23980	25865	41540	40875	14946	22211	72807	68585	155917	148912	171454	164220	160482	158662	151610	150817	148087	149577	96665	101369	112879	115825	121303	120853	127370	129084	150857	119369	141208	145483	130670	124802	142580	153055	84583	91018	85413	86623	107461	110338	115511	118348	123406	122283	131635	126567	157192	157830	163389	170946	166679	175294	188335	189445	176494	178325	89569	90888	164342	169212	173652	170887	200665	197656	46953	45868	39406	37915	53902	53301	54330	54286	18582	18105	47512	48251	57581	54503	57641	62202	46316	46051	61603	62974	56160	56754	50001	52562	52074	54971	56704	58523	50254	49988	39074	38652	40599	40385	22542	23221	55761	51360	33242	33470	65866	66080	19995	21882	86951	84340	61556	60274	24202	25771	7529	8342	6562	6599	11216	10456	1	1	32221	31613	9077	8116	18736	17270	7428	6665	11951	10336	1	1	35480	36926	55187	55140	9625	9902	32381	32462	42816	42103	6626	6752	38630	38559	6465	1	31249	31727	6763	7329	27516	27975	40977	41502	35643	36580
C12 H13 N O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39380	40664	54999	55525	14231	11974	37645	38670	15682	15897	57752	55286	57348	56072	32568	30709	61954	66796	65020	61026	109288	98738	106470	109564	183052	175593	117476	109774	95516	102668	55817	59588	40894	38663	41021	51797	107746	107386	122949	122137	94512	79993	124171	118966	63087	70422	112677	110602	80995	78380	75206	74655	83079	87909	69414	76405	44092	44145	57505	54616	78071	73820	83693	76359	14616	15275	52876	44616	48902	61841	71687	79900	40787	43631	70705	70493	62206	59734	28527	36333	63186	64504	72501	85046	76225	64398	39152	38438	57900	53774	39388	37010	76204	65422	27308	25302	112574	85987	41807	48689	101388	120799	57863	56266	37312	30959	1	1	10049	1	23297	27178	1	1	66453	57495	1	1	45221	47097	1	1	1	1	1	1	60845	62435	50553	56279	18086	18508	13250	1	36637	37018	17295	16281	48652	52207	1	1	42134	43057	11604	13055	22004	21558	1	1	56043	47982
516.9861@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78161	66187	68225	76060	104449	111389	45895	41049	53093	57355	85234	87649	118394	120826	72430	71617	69756	72616	49059	27416	35320	35938	85919	88622	90749	104705	89774	92743	125667	124380	95908	126074	135333	132439	63252	84332	57983	153723	223864	159749	64028	62404	141520	139923	79754	88197	87532	87572	101813	99385	90973	94380	84279	78999	106952	92626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
535.9333@0.836715	96821	98959	89543	91856	134456	137459	87387	87674	101787	100875	127082	130094	116963	112650	108731	111741	95068	92722	105753	104714	141669	142497	75216	84306	127844	136237	126660	125104	90272	96314	251271	249107	256032	258023	267838	269265	265335	256928	247254	242315	247613	253742	266388	269699	272772	263058	253026	263349	283950	303407	282763	272564	268065	267360	298524	296229	268976	272917	84398	88167	92024	90387	51368	54214	114600	109147	105694	104994	102690	104057	33592	32227	165049	156200	177467	168108	115150	57271	40363	43964	29777	31892	41386	45369	91662	99561	23465	26585	34206	36644	37014	37549	42246	84655	47391	47714	67381	68572	175425	172655	78328	76247	129599	131800	129928	124308	190791	186609	127581	131918	141124	144675	191530	137234	168450	172438	178100	178823	160015	157150	167692	171147	189080	179520	179501	168532	163946	164564	166701	162922	178780	170890	165148	166211	173660	174405	175710	172097	170207	173376	168325	169692	180381	173093	190282	191149	179966	183092	187958	193780	177094	181023	185975	188894	146439	149520	196721	191510	151637	146141	172564	170524	184490	182605	203864	197551	212302	209724	194865	192834	256959	252211	162528	160691	213790	216662	222978	233879	233045	224363	206174	213760	234379	243986	173246	179607	143145	141939	220218	217748	163642	166619	167845	168349	223584	225749	157865	159519	225084	226106	186436	184670	264973	269336	188671	189733	166798	163897	182477	183334
C4 H4 N O4 S	37271	34786	39571	40313	41729	38833	38626	32623	46622	45639	41007	43508	41277	45598	30754	28605	46385	46374	37827	39896	35306	40333	29895	33344	41398	49159	38014	36026	30375	36062	46646	45578	50118	56634	47473	54843	51462	56117	45101	45200	51932	49291	38418	40740	33823	33837	39104	42444	42565	39951	23881	23366	49056	48455	59067	60196	61528	59648	41630	41525	38509	38417	42842	41288	44101	44064	41524	43796	45008	41404	39854	39434	35138	29600	50760	52181	55437	54406	41848	45784	30521	28985	38167	40799	43693	46222	40213	40377	39182	40557	39764	39999	26885	27887	45718	42613	43802	50441	45666	44761	43230	44209	37735	38628	38826	40928	48404	50838	33898	35409	50694	49817	44148	49026	43040	43607	48330	49772	51110	52141	50910	51386	44282	41635	19224	42662	41267	46911	34694	35676	48349	49183	34053	40812	41924	41226	49092	52052	43827	43628	51789	56726	46637	41142	53159	50401	41737	45306	53435	57678	52137	58458	51157	45827	33906	31030	40905	44710	56396	52619	43025	39653	37491	44443	25496	22902	27170	24630	21086	25413	37105	32299	28870	27573	31983	31325	23824	27244	29122	27343	30272	30345	25339	26053	30092	31543	30885	32355	31035	29681	27294	25755	39278	37900	29195	30581	32092	33818	30151	30964	36252	34040	29271	26852	28612	31567	26311	25377	29070	28521
498.147@9.397872	12846	11545	13507	11698	13790	12707	11868	11952	12712	12537	12666	13393	11560	11165	12208	11771	11486	12566	13830	12460	16335	14469	14145	12646	17743	16432	14168	14173	15348	17577	16281	14998	17367	15116	16954	14241	15558	14494	14338	16138	16376	16104	15839	16338	16225	15134	14936	16918	15322	14467	14567	19069	14785	18373	14363	18003	14996	16160	10082	9778	10803	9774	12737	8107	9124	10455	11236	9842	8381	10561	11365	9758	17168	15749	15178	16616	12993	14146	15656	12976	15190	17513	13452	14611	16061	16592	13022	14794	12871	12532	12617	15013	10673	11824	14398	17590	18332	16128	16306	17386	13239	14611	16911	14606	14598	16152	16127	11341	13525	13930	18282	16492	165054	17821	16674	15015	14295	13228	13232	12025	15289	13739	15471	12785	16044	12301	13918	14552	16170	13419	13702	14633	15109	14777	12536	14328	13056	13785	13541	15926	15740	13887	14257	13697	14302	15708	14180	14600	13849	13559	15221	15234	15672	15234	13461	14212	14065	13623	16323	15789	16166	14792	13277	18308	19901	16933	16098	17645	15390	15523	16234	14401	14550	15636	16162	15606	15269	14514	17321	15571	15533	15764	15866	16278	14461	14195	12753	13455	13654	12860	13914	15048	14015	15294	14945	13688	14952	13302	14027	18955	15581	12358	14370	14666	15789	15592	16347	12730	13755	13953
C4 H4 S3 nullnullnull 1.0909997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143178	233178	145421	231241	74613	181578	231970	234666	173237	232772	182627	167235	164834	72874	196922	51103	73452	184135	195094	188681	73659	72794	153080	124737	164524	181837	80286	53619	167954	113058	115050	148068	72502	157343	561052	302889	159468	200754	142562	201093	92529	255684	60522	230151	86732	83144	233619	199081	256096	264632	234750	98226	90221	188978	1	52167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.8837@0.88552725	78894	81000	82842	78275	78722	74511	83803	83503	82016	85861	80393	77493	81077	81016	62336	65417	87865	77027	75562	78478	72421	75453	74865	70725	81369	86142	69047	79236	76875	76421	84580	85891	104187	105123	91795	92350	94027	92525	77913	78532	98272	102994	73325	71139	64854	63459	71703	75152	72331	69609	38699	39242	81112	78167	81544	79861	119205	121037	111338	113329	114027	114343	89642	104861	127729	120229	131125	132564	112578	122353	98963	77312	82503	81673	141539	139359	126876	115741	83996	94995	59081	58808	83835	93977	105038	104022	81182	67469	84001	77068	84969	92849	67236	65116	99390	107531	106180	111282	119628	130926	104064	100244	122642	113131	126868	122128	134021	131514	113153	117089	136255	130447	158145	129989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37630	36577	54550	54164	177192	173074	21804	15797	23010	17580	54451	56623	61579	62141	9342	7712	36086	34763	6956	1	26542	28281	114056	115052	83002	87309	26555	27485	70061	66720	108117	107940	85475	89619	43641	14587	105557	106941	122652	123826	20343	15659	178671	174810	46184	47587	46935	47782	34506	33448	19431	22412	33414	34364	40225	59715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Thalicsessine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23531	22895	47553	44913	24742	23980	19800	19151	9900	7302	29153	22447	55468	51005	30207	28643	22218	23371	17883	15679	60503	58183	77585	104038	160617	147321	48635	40629	65994	63198	81905	80204	72254	71109	26783	25697	108997	103022	151941	154960	46897	46191	99956	94679	63492	53854	87468	77862	18470	13788	57962	50192	62835	58301	74535	64587	12969	12493	18764	15580	24290	25022	29207	24727	1	1	22245	20374	14723	14100	13500	15382	1	8977	21706	20125	21346	20771	21940	20771	13542	13110	7668	8976	12656	13522	21354	19115	12366	12777	1	1	24008	18640	8430	8697	48914	43445	8532	1	30659	29293	11290	11383	9165	9071	1	1	9019	7330	1	1	1	1	36251	38491	1	1	41203	39291	1	1	1	1	1	1	25113	27352	26650	29680	23758	19583	1	1	17632	18877	32049	25468	30739	32832	1	1	9616	14712	1	1	1	1	1	1	21378	21750
Hippuric acid	39385	41383	60043	48725	33532	32867	45781	43454	35643	36242	33917	33867	40567	34600	33342	28972	52913	50279	33719	33313	37965	42466	44244	41940	41917	36558	45613	47278	46346	50732	475399	459648	606362	642794	231258	239054	225741	210866	634658	617910	322407	312287	243611	241348	385756	385282	704967	710019	106807	107036	126184	133863	612762	587752	150444	149090	631304	607624	1	1	1	1	1	1	1	1	1	1	1	1	1	11497	1	1	1	1	9959	1	1	1	41907	37036	18212	10833	1	1	1	21307	1	1	15325	1	1	1	1	31147	22765	15549	1	1	24183	20100	1	1	1	1	1	1	33936	25288	13741	14801	1	1	24109	49784	1	1	14018	1	24098	41559	61921	26287	39764	17078	24366	55694	28705	56104	34974	19889	59337	1	43863	66816	19715	33930	37429	13245	36001	16208	14949	39925	32646	11035	1	1	40551	30052	9349	35135	24968	37122	28769	39975	38688	49923	47713	36809	56293	11810	17262	18239	286104	278989	89763	71145	58384	63431	59828	53616	80440	67819	162368	160878	77937	72604	318089	318138	153263	143374	99699	102576	239873	237689	83233	99581	195374	184167	325277	331196	101946	90050	72573	69703	66896	64354	209523	202354	161472	162662	33652	42889	221151	209300	287556	288575	99310	94700
L-Leucine nullnullnull 1.4100401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17916	1	1	30669	39340	1	1	1	1	1	15806	33358	37427	28305	19217	39955	34304	24470	22440	53684	100929	106245	100168	57585	71730	23593	22076	97065	120440	95760	112875	104962	91248	42381	44321	237022	234462	136082	140504	89214	88305	214505	200081	62389	76165	112516	110384	43509	42430	76720	84031	83722	79743	174371	151341	22617	23296	36685	37533	32500	33549	136852	137654	24470	25475	33344	36579	64439	59861	30516	32400	38583	39106	38262	36504	40555	41997	42483	39542	106638	109433	37615	36546	108669	104456	24394	25995	38732	39874	36872	37763	27799	30519	37450	39018	33825	32145	28586	28985	44486	44025	30726	30800	52281	56570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl-	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17481	23568	28694	26943	14074	16973	26102	27070	1	1	23309	21801	29602	18407	28775	33058	30931	35149	31630	33774	52747	55597	53180	51250	51551	57637	36112	43761	22673	16719	29870	22072	21433	21127	21833	23494	41512	34280	70530	53017	49818	53678	40661	55553	32104	31241	37450	54468	34394	26718	62113	67678	30630	45075	730358	32093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glutathione, oxidized nullnullnull 1.5427206	127372	129569	190392	200244	120029	118838	221102	228914	217260	214664	118565	119008	169709	175036	194545	189421	137986	134251	172819	177137	44687	45576	290226	288681	96263	101098	97485	95306	153990	155425	26512	28648	45656	43986	55093	54178	37206	36176	69427	62586	51476	49447	39110	40558	30452	31193	48278	46082	10364	11706	14203	15663	89223	86103	12974	12626	66672	67126	36696	34749	43354	42424	124899	120050	25119	25463	20020	20441	28131	28025	135043	140682	18317	17039	28170	27593	28118	30004	39641	40353	119585	111644	101681	99635	33571	32895	176575	179133	149180	144180	139322	136730	1	24312	163747	162535	126856	119011	38002	42514	122459	124737	36633	34494	63437	62991	25672	27328	33911	39448	37871	36599	65639	50939	54623	55389	66215	67833	57485	59527	77511	75413	35098	35650	54277	55876	81321	77367	65858	70318	69768	70960	75482	72036	63447	64668	57294	58285	64500	58904	73159	69691	55639	52675	52236	51821	54903	58334	51509	53734	67419	66257	57134	60619	84439	82567	52288	52428	106481	109029	54702	55545	54567	52898	25737	26648	34529	32875	24561	27507	9081	8602	28007	26439	40908	44453	42966	41549	27819	28165	49275	50593	11448	11777	44352	39967	31667	29498	49388	49206	41449	43923	23368	26368	28035	27498	31858	31034	28442	31797	40798	41648	15703	13977	34679	37059	49176	51099	30541	34496
?-9(10)-EpODE	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21275	22411	1	1	37440	41186	35298	21283	187259	45265	34261	28491	1	13463	1	1	1	1	1	1	1	1	30738	1	37549	15117	29679	20881	56468	39034	19404	1	50072	14829	1	1	43430	41911	24102	25263	70659	18195	17775	80150	35152	30331	22042	20971	134196	132837	59079	62515	111177	110659	48627	51425	138140	17351	77395	76615	27313	168295	32027	31837	102922	106247	14478	22339	27416	21635	22549	26152	76475	80036	30301	31562	53316	58329	115703	121928	44773	47505	99423	97772	69123	64859	119700	122303	21119	21430	23966	110392	26367	17193	34541	32184	67684	59744	18494	98642	44461	39499	68849	64361	33308	37731	15818	19569	1	1	1	1	20096	15767	96444	12769	31927	32135	28417	23412	28705	27103	31388	33899	38088	29022	1	1	49353	17661	81376	82508	1	1	1	30610	25134	24029
> limit nullnullnull 0.98199946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20526	20595	24904	26501	86555	77372	14557	14259	17393	17147	11832	11271	165086	167679	5555	5762	7506	6802	12848	12321	29659	26276	97903	100737	79558	82079	12390	12051	154848	156067	121304	121991	113320	119215	8638	8845	108355	107534	89365	89487	7809	6970	55413	60427	23598	22756	22858	25109	16625	16278	17804	17265	15222	14746	27386	29545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Alamarine	1370998	1440266	1207135	1234893	546989	557796	1186948	1157887	1178329	1125325	693659	704681	975894	975201	760360	773102	1481325	1479873	871872	897631	885383	920301	1245992	1301999	569355	582042	862926	875151	1387041	1462479	1	1	1	1	1	1	1	1	1	1	1	11499	1	1	1	1	1	10159	1	1	1	1	17051	18074	1	1	1	11582	9114	12012	22916	24595	8853	9184	1	1	7676	9858	11625	10518	51809	47204	41098	41214	17868	13662	11651	11436	30202	29909	93896	88844	163796	165642	14139	14181	151962	149425	94702	95814	99197	101803	18649	19203	101900	98883	133772	128853	23786	21135	120905	112684	32371	32245	66165	61689	29109	25641	103931	103164	104127	104424	54334	56432	16028	13456	19018	17287	28012	27549	16184	12621	1	1	14308	17028	20530	20835	1	1	13745	1	16228	13996	23419	21774	27166	17404	12030	11362	13796	13143	1	1	14446	19531	24171	14802	1	23571	11951	15464	1	1	51186	56019	1	1	37414	38206	19232	13962	15157	15775	1	1	23490	23265	30703	30317	27182	26288	39258	40621	14020	14220	145979	152285	19030	22512	21654	19992	1	13008	150665	148146	42876	44562	28468	27803	40965	39626	34338	31264	28470	27257	39955	43277	1	15453	51474	51733	23500	25215	31013	30513	26823	26097	40712	38520
381.0134@0.8469466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48072	56919	51878	55300	96435	76219	89411	31017	44872	50897	116277	95014	62672	63602	76849	64141	79497	74731	44312	32452	31340	32485	72492	75852	83732	95801	108803	121457	94855	78308	97660	111931	137589	145293	76504	103958	152479	154112	183571	183026	63450	64842	159986	151778	75058	77970	101042	99356	132178	129914	103959	100933	87956	93104	109852	101427	89182	92117	92443	96921	66042	69154	97630	100033	91914	91191	101313	94979	94726	93204	92865	94323	96064	92583	94979	93202	99403	95906	99710	96631	103741	103508	95130	94708	102277	98894	96949	102568	90360	97117	94529	91269	99878	99080	97982	89495	68922	69088	95109	97879	70668	72195	90987	94263	99175	92633	51760	52693	50584	49250	49272	45831	62035	57749	56206	59828	50796	50252	66254	72284	60332	63127	49513	52116	52882	55214	49781	49209	58396	58769	54596	53732	47919	45402	56930	58520	57925	59336	50665	54537	53535	52960	53155	50791	63604	69467	54318	51035	45976	46444	54028	52802
60.0212@0.9266565	15553	822576	102061	167042	1	3281953	138128	1176415	589677	590040	9214	110054	308489	173804	28672	878879	227222	130088	33248	871399	215545	115269	405793	79857	180894	116483	641117	444394	263012	140112	231259	542182	538350	557910	773117	373624	271782	336220	621087	1054693	315819	205826	347385	300107	292198	244606	618953	704588	132478	125991	127021	154822	651359	682225	77042	132225	474211	819972	584425	1	1398420	450570	1385815	590042	1	1	575353	1	1	492671	1	423124	1585351	1777258	1	1096851	1125906	595916	47376	1	241875	59447	72903	1	1	99641	309780	302104	5699065	373278	70617	92432	473651	168712	68292	77395	108101	85293	47873	1	98077	84626	46686	428140	45069	1	208466	1	49999	80490	31152	116174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
711.3968@11.893874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10246	1	1	1	1	1	1	1	23837	1	1	1	1	1	1	1	25140	20613	370386	239925	26469	1	1	1	1	1	1	1	1	1	1	1	37985	1	33121	1	1	1	108303	8402	1	1	55092	1	1	1	26311	8903	1	1	52463	1	11695	14695	34637	22109	44417	15788	1	1	1	1	16326	15568	20351	23222	69774	64216	1	13460	56238	62643	15343	11009	1	1	22702	25289	52200	49818	20630	19472	1	1	18771	20781	1	1	1	38270	22641	11550	55909	50128	1	1	60950	55716	46832	73569	1	1	9268	10776	14827	9294	22199	36789	19205	1	14018	1	36738	28006	15064	1	1	1	9666	1	1	1	17953	1	12122	1	1	1	1	1	1	1	1	1	27246	1	1	1	45714	1	1	1	14701	1	25818	50359	18295	1
Proscillaridin A nullnullnull 7.621678	53526	50886	1	1	1	1	18908	17736	49998	49294	9979	11680	25396	20159	34645	32158	28629	15841	18357	16248	10466	12345	14741	19262	15126	14125	71857	69699	20603	22728	467430	462064	267870	271027	155300	157491	375067	367216	113141	112436	352418	353873	218636	224385	1159190	1170026	102429	96492	199919	202744	23045	22657	94609	85080	70278	67977	266417	262009	1	1	1	1	52038	56008	53631	59280	1	1	1	1	53258	54093	16356	14390	12645	12346	89947	92966	47507	47237	17310	16172	12696	13826	1	1	56434	53631	105119	102902	12364	11776	1	1	60375	61071	33152	32263	62340	59146	196312	187057	30756	29925	1	1	1	1	16900	14668	1	1	1	1	11697	15487	12850	1	21493	23025	1	1	27690	29403	19723	18436	1	1	72689	75515	16754	18511	15082	13814	32210	28646	37182	37399	11110	9788	35127	35791	54716	55530	76990	75335	21393	22696	257735	264656	104254	100658	100476	99329	52319	53341	139488	140796	34520	35231	1	1	204249	200979	18598	19568	11384	8896	62881	64759	269168	266013	57570	56286	1	1	26945	26827	8816	8907	9112	8648	17713	18944	9579	9622	71822	72769	1	1	13136	10987	13251	12021	13851	13343	20234	20466	7880	9423	12943	12309	85722	82857	1	1	11269	8517	16256	16018
calicoferol D	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22046	26447	21671	24221	22904	29510	24954	27827	22281	25151	17429	20664	24835	32375	98937	121562	105959	108790	100962	100884	100308	100447	102842	135714	165904	167240	131441	124156	97899	97957	111730	101320	109300	123638	112922	112332	116639	134508	125319	135691	103475	132171	125306	129097	143184	131466	137950	148338	151522	145134	111102	125242	124701	117765	211702	135847	86104	87719	88903	89092	91404	80812	76254	89864	90028	83046	85787	91228	89903	83175	90015	99501	93294	93602	97096	90415	107645	101332	99520	96412	81673	90086	89105	94225	92024	95313	96916	100832	91353	89258	93824	92443	83370	91906	86871	84729	85295	96907	100583	103340	91785	89143	93813	84231	98000	97742	59058	58393	57608	65483	66784	68873	61026	73458	58540	70794	71481	46121	79582	82729	71553	65008	63023	64202	59483	65514	70157	71024	69501	60534	63770	64296	74876	67336	69626	64020	62627	67446	69773	61972	69590	68255	65084	91425	68571	73689	64713	72245	53453	59218	82361	84214
Fumaric acid	153626	158860	134102	141995	101277	101702	146267	138847	119372	132262	95471	101974	106257	111665	114652	109177	197754	152907	132307	130024	94224	99725	168481	171086	138605	131308	127606	142014	189089	185168	448911	464249	492243	522098	16539	21385	98308	26007	70433	67639	39971	39316	324861	324558	658818	676484	29169	31138	266406	277716	22727	17339	44890	33851	95303	102258	1105710	1159353	58420	63843	40890	35885	97230	92168	917873	918252	29661	31341	119623	28749	141995	144998	28641	29197	29627	24724	939137	925259	167133	175579	84462	110699	69626	70923	806581	781977	193058	206118	111668	104801	116920	109159	28839	18017	118263	111862	108564	95093	61528	64325	102868	93787	34685	326606	46433	55242	23114	29884	63791	68841	62599	60174	113895	45175	15382	13579	10764	15095	25665	24547	12275	12901	9119	11014	18816	18057	12807	14064	14523	13005	14790	15396	16060	16612	35768	40679	51989	53327	20255	19861	21956	22213	19321	19092	29985	28676	14649	15579	16518	16435	12285	12345	26893	25251	27405	26775	50308	50366	22484	26237	14442	16395	20153	19721	7540	9660	17561	15172	17521	22533	14692	16615	31432	30010	13259	16765	23214	23603	9037	9052	19681	18069	8425	7311	31843	38812	45912	47853	15013	16010	41472	37572	52319	56329	11738	8646	36626	37576	9610	8962	26551	26986	32924	27493	28159	24701	38644	39447	41984	39766
C19 H34 N4 O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	131690	139248	128791	127575	137576	128276	133485	136711	134857	135894	132538	127376	132795	129026	134536	114738	129090	120736	116466	115851	126956	122418	111131	114514	109253	121962	116014	116869	99956	115986	117451	121668	123846	119099	94307	139108	137737	133261	135028	133742	135705	147301	130308	133139	138431	136942	129823	136536	138666	130893	133138	127478	135325	134902	1034814	142630	27564	27506	25422	27327	25156	25726	24392	28567	29458	26384	24589	24102	26364	27750	28134	28682	26807	26649	25454	23422	23269	25040	25836	25116	24647	22868	24982	22439	24030	22619	21750	24445	24329	23857	27299	25860	26913	26509	25491	25587	26468	24569	27804	26839	22323	22561	24496	25822	24912	26022	23275	21924	22420	24627	21970	20774	22310	20878	21250	21151	20629	20546	20246	21495	14703	13960	12855	12529	12260	13462	11979	11682	10515	12594	12769	13104	12227	13046	12790	12869	13076	12967	11759	13709	13249	12585	11547	12040	13817	11918	13413	12680	15051	11274	13319	11564
635.3781@11.812006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47334	31874	58657	60439	138792	35529	78081	68095	19305	14351	120207	67997	191881	52539	42804	26483	40552	24791	30423	27195	251384	261671	1993774	638770	184500	72167	89767	64879	20347	1	20798	36699	91355	36487	16020	15345	251008	54636	219435	43546	84229	45998	347039	158317	37028	32257	718695	78543	16827	16856	279713	135170	31652	34409	167258	49334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
779.5283@14.190998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17346	1	1	1	1	1	1	1	19557	1	1	1	1	1	1	1	27523	19229	207374	47765	8652	1	1	1	1	1	1	1	15103	8294	1	1	25308	1	20478	1	7852	1	26017	13367	1	1	78532	10731	1	1	18231	1	1	1	15529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8724382	246696	253203	275775	270613	230843	222358	287745	288331	280426	257316	241832	239698	256032	253736	239390	235358	266388	273115	246122	263981	226551	220820	291421	287020	244562	254441	249405	253289	289730	287849	175593	173619	182350	193628	177509	173500	183579	181291	183850	191675	179990	180279	159671	161461	159196	162585	177554	180435	150463	156717	113087	106307	190004	177829	176872	179417	190606	194026	98237	100675	112063	115821	167104	169054	92219	92777	95545	98868	93948	92679	197288	198834	78974	78271	77891	80680	77419	76703	106596	105422	183596	191580	163549	167092	91528	96641	194503	192509	184356	188636	198091	185993	156279	146930	195618	188664	172969	181604	105604	98684	169039	169446	124188	121389	129403	128449	75245	77119	124496	131053	115516	110575	145055	135469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H7 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135578	71835	116071	109935	149971	142077	48078	57915	55397	47850	91116	39641	187047	200762	76297	85417	43855	88953	59552	54048	164422	160225	131035	137665	110139	114305	49665	127440	204713	207946	169592	181428	173553	179262	185611	176112	193287	195430	150296	159054	77721	80017	134833	135403	104697	107712	106857	90306	36614	36573	124850	95581	83137	86076	114279	100880	41514	44627	37823	37395	34785	46462	69797	38025	36573	40833	49653	43003	44439	37856	46150	46583	38960	26636	48698	48980	39935	44587	46808	44230	43174	37212	48242	42300	32891	45172	63847	38815	35356	42118	16876	36877	43468	44135	39000	36847	51030	44948	46103	39919	44191	45961	37550	39664	34767	31636	20961	26984	29570	26036	20202	20781	23589	17976	27046	27221	30479	25928	25038	23195	27332	28464	29329	28843	8457	26884	22302	23708	37899	34008	29815	30345	25431	25124	24875	26729	26905	29181	30636	27250	29487	21713	25838	25832	24437	23048	26224	23741	31497	31826	29292	27582
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C3 H3 Cl3 N	206399	200071	205755	201534	206195	199620	205672	198048	206068	174918	209608	199382	209109	207988	206616	195651	191307	213023	199436	202634	225378	216430	190796	201662	198485	217216	223924	217987	210454	219168	201179	205963	180412	178869	178030	183386	183100	177432	189787	195618	182624	180132	207735	209691	261049	248651	213472	218026	241271	245336	160190	153581	203488	200530	212106	206797	168095	175188	146815	151272	139710	141864	103063	105874	141845	142027	141942	145867	154123	150434	119513	122912	146717	145492	150203	149443	120552	110344	123433	132261	123242	115571	126158	127569	145715	139947	106608	99184	111700	112837	112316	116955	113098	120239	129271	127661	133577	137522	172980	164980	139577	132568	171143	168278	152445	154147	163397	163801	167237	175285	155673	158857	200692	156181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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445.835@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	132497	132277	135216	134714	145958	142458	144873	133000	137922	130061	112446	107707	173281	176189	88832	86113	119698	119284	137292	152452	130948	125877	115025	115472	121295	128760	106653	98260	163732	155699	146653	136865	141504	132209	86067	79551	149238	146906	136549	129949	130929	123216	129189	123922	122792	129323	127615	124938	107287	107903	117868	120884	126396	126950	135207	148001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Actinorhodin	116280	109548	164530	166188	110534	109197	196563	194957	196249	195973	107402	109669	167091	160303	169457	171752	126906	122388	154997	151463	45378	48059	241447	239486	84178	90885	92848	94257	135453	143860	26840	28305	44442	41723	53700	55172	38641	40184	64474	67267	50403	47707	39292	41011	31021	31343	49183	48838	9473	10198	11160	12204	89853	83214	14485	13791	60381	63246	35946	38988	42107	40210	134701	134297	27798	26091	22090	20140	27477	28627	148648	154401	11819	13351	26994	25079	26613	26510	39707	40817	116861	107204	97313	91585	30406	31688	168832	174064	143581	141887	132437	134107	16275	16681	151484	153034	116688	120951	39235	36721	118565	113784	35355	37815	60351	55334	22991	23728	29951	31844	34381	33499	42451	42600	57710	57839	73246	70330	64672	62354	81543	85816	37597	38342	60637	59774	83345	82065	73642	72356	74667	73521	76851	79676	65982	72698	57902	60445	65796	66019	79246	77868	61035	59098	54736	54324	60847	60557	55515	59712	77591	71931	59805	59534	81741	80533	55784	55020	110024	108894	60413	56164	59117	58376	16516	16327	23505	24956	15629	16170	6039	1	17260	19204	28563	26479	29111	29251	20804	19989	35068	33596	7777	7270	28580	27891	23751	23713	32994	36244	29444	29419	17871	19454	18825	20048	24773	23988	20743	21946	28792	26330	9526	10409	25214	21949	39060	36461	20770	22118
Taurocholic acid	20349	18055	28447	9519	1	1	36173	10053	58506	59043	11117	10144	30796	31401	25240	24534	16469	41270	33404	31868	12000	13015	40412	44323	16123	19109	61869	60886	90431	94057	52268	54627	55709	58119	109921	48305	106595	94811	283432	281670	88853	87286	91512	94237	91033	89586	121803	118655	16114	17588	8455	8700	169248	166055	10537	9895	54324	55412	22051	24361	32631	32869	40689	41726	20268	20164	15877	15096	16378	16898	109029	112965	16353	15343	1	1	18293	18448	18607	20638	33397	31397	46589	47443	31944	32287	63638	63242	110522	109926	76422	78676	1	1	78335	81473	140015	139682	23832	24446	207645	211358	30456	32219	12614	13339	9169	7735	9748	37414	6626	6728	36013	10215	1	1	1	1	1	1	1	1	1	1	13142	11250	11498	13722	42723	44002	1	1	1	1	20393	20058	23274	20541	1	1	17583	16495	30126	32906	24379	25058	13185	11430	63488	60244	38072	41696	16385	17078	11110	1	40090	43298	1	1	1	1	63992	63660	88217	84683	77841	81852	1	1	40813	39986	54553	49452	64163	72043	25028	24661	73112	73525	76901	71184	76228	78011	147536	142341	46451	48025	56600	60525	103319	106194	19858	20725	52724	49765	25888	28543	52528	50805	191987	195769	1	1	97314	96335	298279	304002	82833	84131
235.8756@0.86866707	186708	185755	188805	179778	220235	216505	170481	168437	181148	177433	212081	206962	201525	199033	180470	179468	182878	184760	186616	183743	221317	221251	148581	144069	185970	207697	209218	215252	168557	174777	282759	280386	271017	287132	280280	266619	290607	280926	252373	262855	274483	281049	283294	290220	292106	298067	273697	279430	327496	330844	176868	178839	255943	260392	334325	335733	244507	258609	144165	149067	136209	140220	89284	94612	154833	149952	152671	152294	163782	165662	79595	77659	126096	121990	162391	167144	135274	135579	139636	140079	87876	87973	99549	100772	155185	155015	50157	45601	57946	61171	66880	68337	80908	79563	71871	70829	91684	92146	167612	159839	95115	99343	145603	143821	138150	141129	184020	180991	143448	144907	151815	145278	156799	145107	121362	128382	139145	130003	81035	85865	116143	115816	138727	134954	130529	129837	119044	122406	134300	121202	131224	126049	139813	147518	132542	147893	124704	132456	142443	132613	119295	115253	135570	141726	130748	131352	136740	124820	142803	141719	117937	123222	141959	136937	93627	83139	147411	140563	70339	69609	132412	134218	138479	152973	73940	69340	78520	85241	70562	72057	89268	89673	70806	68376	81324	74016	95485	91517	102746	94887	68235	66942	95712	98907	56922	56045	63848	60451	75806	77360	59652	62780	64615	61832	100157	94538	61266	62715	93272	91173	62219	60802	128025	115305	69202	68031	51470	50964	77162	68868
C9 H4 N6 O4 nullnullnull 0.8848956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	338823	333278	54039	57927	58303	34274	43567	43384	33338	34735	196539	194248	51021	55401	177688	168627	87087	90544	126276	61011	145155	142339	386877	371492	228342	220952	195688	198431	512559	506178	393193	389702	71983	74989	153272	176483	119539	124296	147145	156773	34663	32203	121382	132707	172042	178904	151001	144889	130461	130875	228754	238260	251316	253835	280235	206791	37378	39821	69346	74107	211979	214384	70163	83439	18885	20753	66226	62456	92210	76312	121316	115784	53339	56899	85793	89211	16831	14167	28608	28590	143374	140556	21247	22404	137360	146789	22139	26790	65338	67968	34696	27799	93598	87976	18939	19555	171414	184335	37522	38184	253495	244269	96107	97342	23119	25155	14677	13313	9867	9235	23147	19913	11421	11637	32943	31134	21005	19039	21599	25733	20648	20917	20567	22237	14396	14536	28297	29401	16418	18838	17969	17971	20320	23164	15361	14892	16434	15602	13242	15039	17202	16796	13887	21224	13058	13206	27854	28304	23523	28106	27203	35158
218.0427@1.2687843	461218	476969	172018	229926	133522	126229	132606	167703	281589	266231	122172	132225	270941	270595	325688	344514	209388	237606	324330	309853	172631	180322	298700	314093	47427	42338	175890	169548	132964	144380	111201	110472	183313	178512	410541	395741	160886	165406	423168	421389	226917	232417	168388	171613	135417	129247	260878	244025	78473	81973	61353	75960	547566	538141	65813	66758	264730	279623	599428	591767	471607	480651	1114314	1081255	820153	818754	601974	592699	398714	393682	676132	704275	410835	378059	468554	450235	465107	431092	549125	605812	713408	701245	795610	845776	471640	471419	995224	1000877	875429	927620	619943	607868	319157	369361	1091148	1093677	885268	885343	690181	689486	1394786	1378609	568095	568699	564448	571874	552801	560201	495637	520498	419661	419806	105601	613765	178276	155606	233188	235951	212247	227048	237820	252295	173486	174042	217717	207602	232704	236902	281345	285617	208727	206411	235738	230255	181660	191785	179550	170622	201413	186611	206299	204038	186995	172760	111609	116676	259330	255900	353206	351541	265034	256575	345093	330073	296282	304529	233915	231621	328261	330159	242905	240813	341212	331238	537468	547880	450773	447762	434109	431851	267120	264633	791170	822654	432181	443984	692850	703002	399701	402052	608075	595549	356191	361561	884362	891441	672150	689744	505333	502859	1494754	1481470	810161	829473	454614	472060	692530	701386	448661	462303	769581	760992	331611	324012	755523	745117	1119656	1097831	829688	844275
C35 H51 N2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11744	15777	68597	337049	49706	14105	125234	231250	72890	1	1	13977	14505	57389	504154	57626	79942	170403	91327	127091	97353	40058	231249	17293	208822	89347	53482	120807	139019	331677	286736	83355	1	1	20372	287859	204055	14972	50007	166563	393258	158142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
162.0504@0.9977285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	408830	156580	300655	278159	280553	251717	253106	223369	270679	249597	154744	159929	245907	204238	308053	303554	376051	403454	401457	333198	231654	297696	203154	143853	321259	287781	205231	222401	335014	317514	284701	301991	206297	190432	285025	271565	263998	200989	93211	100089	422793	159614	157453	380706	285749	308502	110038	112788	330701	318208	474706	499224	413961	412305	274508	329652	20755	20935	14337	11703	24872	24608	20360	16127	18832	16668	16185	19158	21603	20727	23143	27558	17170	17784	17712	18312	16598	14076	17191	19088	20427	19718	17013	16243	24571	28879	15457	18514	14627	10740	34069	32914	29725	28398	28945	32509	33793	29762	24277	21586	43291	41776	18102	23000	43826	29116	19397	12811	16510	16166	11466	15154	1	1	23935	27838	16334	19642	19067	15219	9004	9896	39776	29244	1	1	24665	26367	56979	44850	20743	20466	16029	18717	22892	22625	10614	11800	22593	20993	8620	11524	21770	21901	10816	9932	10934	8935	18128	19258	15508	19466
551.7754@0.8689656	113771	107534	110397	112747	116860	107671	97335	99827	125002	121978	113241	110789	113556	115109	67149	71844	122888	124546	105828	98419	104960	96729	76701	79112	116424	120038	92433	90908	89784	86846	171095	160989	204687	200264	184755	182191	194427	194992	137754	138923	177238	186223	145506	145439	102358	104617	127924	126008	152642	157844	73491	73506	126824	125274	221438	219021	205162	212917	169713	171253	129254	124836	134884	125469	169220	161974	178867	180756	130974	138414	130968	129448	101133	98840	192098	187383	196508	188836	122065	125744	78239	83421	114118	113175	120333	127032	118022	106410	105248	115380	121259	115208	60603	59094	124624	120736	131205	115652	163220	160289	124582	117464	133152	140193	145969	140388	203775	198933	107084	111207	160980	153145	169254	169009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Bis(2,3-epoxycyclopentyl)ether nullnullnull 5.1998196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54562	82084	43599	45851	35175	27918	1	1	58546	64020	36008	40906	117336	105847	36861	1	36031	35910	146861	155531	241213	186143	162542	172340	94202	71014	76677	64559	87040	50958	85794	51333	114441	139505	139504	76688	136597	145942	112543	97599	150335	133675	72000	91377	116816	74076	1	15912	241620	228525	106544	97596	131847	125823	187899	173346	129659	116153	181596	175809	115594	135217	109294	111634	133208	119277	87639	93250	110924	90963	76664	86722	129562	125330	180121	185455	171102	167790	71687	85173	63205	68552	64085	82680	126561	115021	82318	72687	86948	31851	94042	104422	101025	90912	345677	321787	95953	78643	146107	147318	69459	57796	92252	102307	54790	66291	53939	53019	163965	153681	53018	47121	105764	101972	94601	86284	177564	163859	52792	62890	30217	1	31224	33648	22175	72280	178969	172775	106117	100216	34644	34057	55090	40435	72136	85635	85193	87031	41091	47710	101174	46655	34714	35407	44946	29911	1	34750	59284	52803
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N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	263944	135363	234370	102118	471154	214934	241435	184368	98863	105506	268075	301798	479336	269086	78819	60318	81615	68105	73116	79196	56449	1	1	21983	1	1	36109	151105	64479	76267	133291	91835	136390	458499	339751	53498	1	1	94699	1	46856	42930	148775	45308	38705	58572	216236	61542	48084	82388	229481	57642	177206	71575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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2-Oxohept-3-enedioate	588957	485461	51248	56600	185329	240199	51046	50958	344519	66556	158198	178169	324749	349892	370507	380994	39466	275911	53271	359483	228204	224133	77646	83719	47829	53247	60265	54797	59834	46674	129178	131045	195306	201236	424499	411910	175637	170502	434011	439740	242305	245025	180924	187169	139405	153036	280617	291214	96697	100248	71347	87333	570848	558164	76234	84533	265256	307671	44864	46346	68704	66133	194033	187977	33259	39464	44954	42197	55057	49909	116849	107362	24604	23406	48847	51794	24528	24120	47246	48868	130661	133660	107995	112630	40083	42493	155843	149427	136133	147904	109507	116564	54874	45019	149864	153659	122196	110854	39055	43045	173811	174947	66736	74087	71207	65872	49083	45911	44812	46006	58560	55084	127851	91944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
491.818@0.8860106	109200	99769	101475	94694	103564	98826	105057	100750	124704	126057	111348	105998	105409	103362	55717	60075	115434	117434	102882	102482	92795	89470	64568	67714	119064	129320	87811	89206	78382	82147	130692	124787	176430	170635	148861	154611	156918	157122	96681	94812	146378	153267	91703	107901	54005	59711	87168	92799	111217	119053	48031	50008	92585	95981	187123	185349	185021	187972	140352	138235	91533	87810	92339	94012	119218	123276	133649	144092	97181	93070	63300	68075	89410	81652	154471	152747	140018	118362	66035	71322	27940	29967	69785	72139	85395	89353	53074	51331	41918	50880	61181	59244	34364	41552	61808	65738	81096	71957	123075	131672	87515	83139	103338	109539	117964	121626	162304	155879	75917	75575	129273	126427	144861	144399	90895	91804	113231	113453	143844	138849	131775	133982	111559	109060	117874	119261	95549	101801	70600	68891	110937	110831	71311	70626	76773	71825	118590	129794	94700	85924	133815	133085	96061	89149	141378	138772	99441	98009	142863	132430	132061	133846	115607	100427	49810	56442	101037	100208	132731	127300	76936	77012	80066	82165	51770	53249	71827	70316	59707	63332	100686	106509	63692	69301	89269	96994	60222	63666	73498	69726	86171	81471	77616	78414	67754	67219	83109	77495	90016	92983	54583	51686	116322	117281	68114	65298	82605	79999	66007	73908	69904	67178	65125	52913	74795	71433	51899	48747	52981	57115
C11 H12 N5 O S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41430	45490	43605	42048	147698	145106	23945	19739	19423	24948	1	11487	89107	98818	15310	16566	19082	24422	24444	17838	53471	57253	90133	87763	78614	88667	13119	14859	169816	179544	120364	131932	113422	102088	20277	28782	125461	125492	106662	108066	44284	38526	105121	105019	42711	49549	52480	45042	9613	1	42249	51316	37197	36144	61120	53542	31431	29045	43493	35187	40719	38021	40847	34740	37691	9905	51626	48652	47614	40578	53525	53499	40670	38057	63087	55864	41267	48153	43606	43480	52889	56687	70510	67432	44301	49336	23430	23152	41051	40267	8878	49578	44668	43587	17368	14402	62547	55141	10699	40217	124895	101040	63415	59558	11489	10570	8471	29104	29931	32049	11668	13477	30289	32389	36933	39143	34790	33535	18760	18500	29627	6763	13129	34118	24529	24920	49176	50071	79213	83549	32915	9624	46551	52668	62686	65242	29310	7888	53020	57628	31537	29424	39542	45190	25030	25190	35255	31456	64877	61731	41338	38388
245.9035@0.85694546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	259444	258582	200691	197313	183305	184041	250508	254049	251053	264589	218840	229386	156303	159348	172595	164084	254498	250088	251651	253592	213001	214925	132436	119174	170044	169878	196037	195155	103915	105123	111431	114920	125647	129274	103133	99758	135733	137863	159008	155831	219446	222485	166463	166590	203793	203923	213065	209125	259358	250572	181484	181772	224140	220326	231958	233980	120765	122334	115829	126320	91025	89094	121476	120873	124017	127822	133625	125160	124224	119811	124860	125595	125145	134224	132354	127836	129954	133619	129143	135536	126916	128952	124113	123406	128763	134649	131449	129840	120686	124087	131479	132598	124397	126274	123138	124481	91226	96075	133770	138563	91257	96610	140040	134514	133958	131020	65369	61722	69307	71913	65966	62636	76301	81482	70696	69034	72974	68261	90564	88659	73680	74851	58006	62737	72435	73992	52025	54428	68309	63238	65118	68895	55347	54768	67801	70223	74051	71084	62574	62600	72937	70705	44642	53903	84770	88948	67304	60671	42993	50222	71458	64091
L-Proline	35900	37084	44667	51551	29639	25914	37728	33985	41310	46230	28414	29035	29522	29228	36030	31098	32464	31307	31208	30533	21638	20862	42499	46220	40487	52717	34802	34478	55431	61832	19622	16737	26821	21983	26402	26873	10969	8667	19979	13779	13535	14199	21546	24409	23843	22939	31343	35066	12100	19316	1	6955	25477	24606	8219	8983	31835	33792	29674	27468	16979	16419	83095	75503	20474	22128	8841	1	8750	9597	34666	39194	32139	30372	55437	50332	15544	19598	67834	79198	64929	62459	35340	44100	17782	16426	151764	161281	92878	95583	64374	56359	23758	27960	139829	149161	91793	93752	89670	97095	176695	169799	35391	39350	115037	120766	32187	30147	29182	29375	47338	47632	120804	117744	15939	15028	18447	20111	33218	31553	52645	50096	16719	15301	8316	7882	25316	28365	13564	11352	20226	17965	10402	11657	23333	23761	20861	21879	49666	47096	10544	10941	42781	45218	15847	16525	13991	16557	22670	24056	13177	12621	28518	29256	16297	14537	20626	22034	20908	19043	10103	11396	23529	25195	70596	70678	95033	94850	77086	75468	67849	71343	247715	264993	98999	102181	129143	136852	65654	64384	117917	111245	44089	46386	197564	184294	336707	341870	94749	96363	198863	196498	328352	330709	65699	68787	260799	260027	72456	79411	139627	149216	82898	81617	166831	171071	212013	213013	243227	219929
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315.8735@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	148636	146818	132566	122413	149784	129892	159227	155222	159941	160570	116462	124706	120849	124631	86392	89868	136616	144282	165913	186474	149901	157002	109016	108100	132328	127520	110520	111185	84919	74867	84587	82443	104363	97576	78915	76222	94103	86010	100055	110406	124992	127379	120386	112653	110129	113259	127260	137582	135739	135865	106373	109176	128416	131628	145097	136010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1741@9.049002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27647	32758	25207	26959	1	1	1	1	1	1	63624	60272	1	11654	1	1	1	1	52361	51913	136664	157996	149581	168366	22021	17698	86520	81228	99428	92463	75458	69207	28204	28938	123542	142229	172053	188854	30349	30697	144868	151213	47477	47579	70320	75100	1	1	52900	57158	36447	35214	31155	56069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 O9 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36831	33475	43913	33582	93826	89532	30422	32354	34631	37467	29795	23285	112939	115158	51418	43865	31253	30951	28930	19590	24988	24179	64446	68577	60630	65570	30213	21187	147949	157313	131566	140732	135187	134610	99132	102708	156455	161902	114065	124039	42855	36318	102182	104617	54637	59574	51351	56037	23987	28753	48577	52800	45059	42076	79502	61146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H8 O15 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79543	79753	86657	82749	59710	59303	100678	92146	95992	90884	92789	92147	44958	42089	136073	129049	139323	132393	102629	56864	42080	46974	33826	37548	48470	52837	81700	83200	38042	37959	48125	47393	52621	54855	46150	88200	65069	66117	77531	78798	144039	149933	90596	87934	118853	120707	118765	118134	154304	152545	119682	117929	128330	126438	174641	131201	132389	131814	136752	140845	122360	127784	131164	134804	141735	136306	140813	133159	128587	132452	127435	131933	138329	138240	129386	127970	129199	140590	136326	138762	142506	136365	135954	131697	141830	138944	144363	145206	138292	136501	142496	151266	139029	138051	144281	141631	124602	123874	153935	156173	130853	123997	139286	139912	143270	141591	153227	150449	160870	158140	151032	143627	186602	180717	134576	136549	166530	160071	169363	174859	177210	167949	164024	158041	175818	174521	148688	146198	126561	127484	165442	164036	138220	142172	139561	142534	167644	166752	131984	136137	163649	173807	151362	146660	196672	189452	145540	153120	133464	140513	141972	147188
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2-Dehydro-D-glucono-1,5-lactone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41133	29520	44537	45519	110340	105256	862026	864180	13622	15198	55983	59577	57275	75850	15820	11064	76919	75355	868401	844651	757492	798232	127532	127802	591729	600604	735692	721229	99616	169028	132330	165897	67843	79345	19383	43624	98734	122530	470767	487191	435165	427001	536180	527369	214433	214648	193648	181746	29419	31421	42535	40987	28686	36717	65854	75956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.8982@0.85001737	75858	73482	82460	66758	90945	87866	77943	73127	78353	68709	85821	87986	90079	80775	71924	64384	64810	76381	73717	78359	82999	83910	64574	54522	81531	78993	80880	82522	64466	56967	110756	109485	111843	109666	98240	102319	97118	105507	91568	98302	101717	109388	96890	101731	100003	103276	98978	98928	107981	121528	54205	52252	96237	95576	115377	116301	99983	101871	447171	439632	398248	393165	386219	376469	423372	429592	420321	441847	383903	390950	331443	324968	264402	248657	349449	344277	372561	394492	382517	415687	329823	321379	346301	358923	351502	346107	220448	189125	252142	264303	270697	251566	229533	214349	320575	298300	334008	336443	357891	362253	360672	311065	380511	361212	356636	368355	344889	335083	353300	367821	371998	367497	347120	357191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
475.8706@0.84273833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136663	129621	125123	119727	167472	158524	107667	108953	106613	110306	103050	101331	159541	163802	83986	88001	89799	89888	96492	73602	84883	92885	122413	125849	143030	141367	93482	87597	129925	134566	141332	143024	138481	140929	112678	104435	163114	160508	169758	167939	95906	105724	161812	168572	138640	139456	135278	125824	74212	78440	124142	131763	118629	114880	131781	132999	42476	41617	38206	43420	43346	44002	47903	44877	29913	33442	48064	46476	40934	39154	52953	50794	45384	41285	51735	54243	52969	47469	50703	47905	47617	46177	48121	55124	47002	45415	37771	35514	38225	41277	32379	33072	43025	45065	37966	35704	52915	48192	29449	26088	61321	54920	47387	50101	29413	32824	37450	33283	32534	34246	41529	38256	21963	26022	63939	63002	33105	36039	39099	36875	39529	35402	35519	39710	28631	27840	51201	49763	80483	83141	36833	37362	57214	55954	69577	65775	30884	33327	61796	61684	33266	33836	46503	47524	25841	22618	48936	48164	56761	58130	53532	56271
427.0291@1.1759999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24256	23488	22205	20872	47931	48418	1	1	15872	16474	1	1	187162	196370	1	1	1	1	1	1	24851	23703	70299	66187	31134	28719	14063	16767	73737	80302	43745	43258	130474	129541	1	1	100259	99682	44152	49565	1	13197	26498	27642	25075	26336	31282	32099	1	1	1	1	1	1	1	20215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Bis(2-hydroxyethyl)dithiocarbamic acid	42201	41578	33767	39391	19328	16283	40418	41715	39762	43018	19477	21205	37797	36200	36055	32404	45052	38010	38753	33297	13904	16563	51437	54136	22738	25393	25211	26228	37455	38049	1	1	11157	10326	1	1	1	1	1	1	9124	8997	1	1	8845	7256	1	1	1	1	1	1	7374	8613	1	1	15069	16362	28205	28282	36156	38531	43934	41734	23419	24265	13753	13808	17465	15993	103162	106192	16018	15046	33280	34170	37003	36985	62235	63851	126371	131710	91021	91597	25690	23913	137648	139451	96098	102945	90223	86164	13562	27248	127694	122972	109818	112471	36716	38120	105027	101592	57558	57557	59235	59380	21222	21610	60076	59263	52463	50112	61557	73612	19531	21788	39705	42413	27140	28782	47855	46964	9641	9901	28253	30977	30314	31309	40422	40820	31140	31366	38268	39766	17490	17880	16897	18716	34225	35131	48417	45550	33161	28516	16404	18154	30792	29165	16303	16234	47381	51252	14634	15856	33765	32846	24877	23526	48753	47267	47158	48827	18024	18206	1	1	1	1	8480	8478	1	6667	13671	11322	1	1	10723	8761	1	1	1	1	1	1	9290	11620	22101	23705	1	1	1	6576	10440	11887	1	1	14250	14992	1	1	8104	7125	1	1	1	1	1	1	10042	8863
199.9413@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	201716	199387	196733	196289	148328	129225	234082	230169	231066	233550	189719	192716	95919	99347	156658	146664	210458	207792	243799	222025	168951	183509	90755	92146	123638	120812	174325	172074	85915	84900	92430	92216	94831	96243	121621	121588	119575	116620	127434	128070	217217	202484	142776	138695	177376	189310	189594	182858	207125	207431	175176	170017	205479	204074	216429	217000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
58.9827@4.884999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44880	41410	44517	41502	38199	36063	41305	40616	41241	44655	46106	49258	30626	42069	38159	29960	23020	32540	26879	34884	27268	22904	33709	26052	30152	31270	32503	31383	34204	48044	33572	35177	33248	32180	27613	36046	36272	45813	32306	45210	34299	66900	32922	36527	38039	44429	33560	44314	45182	33256	43276	28868	33748	30253	247988	42802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 1.1702977	1	39384	45501	1	1	1	1	43285	46496	1	1	1	1	1	306643	1	115659	1	1	56380	1	1	108255	60436	45954	47401	48048	45544	84788	77546	29007	1	17261	9229	1	79305	1	40282	36884	25713	181185	79820	26389	1	27613	1	30402	1	5796	1	18906	27629	50689	47985	10881	1	54874	54447	1	66421	1	54859	1	23792	1	1	1	1	1	1	1	1	26614	40608	62109	58163	55137	112055	64650	64823	66616	63274	66122	76086	53524	73605	48574	1	554174	64879	89181	86737	34185	97403	60487	122671	136927	52157	59261	53150	57752	56051	66414	63583	59068	48699	63376	51551	369850	33966	50574	64412	58692	51190	1	1	49640	54000	1	1	35780	36127	185200	1	63065	51326	55257	42840	50632	51220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20854	1	1	1	1	1	58704	1	1	1	1	1	1	24731	42982	1	1	1	1	7075	1	1	1	57826	1	29223	27756	34349	7069	1	1	29822	24424	36661	22520	1	1	31759	34317	1	1	16651	43435	1	1	47728	52584	32038	22339	43227	32574
201.0304@0.9360168	277893	273462	232965	252918	233777	230208	228035	216807	314649	309226	260141	260348	276652	271127	153271	155593	383893	342791	253980	232146	232786	242647	138043	159512	233057	251884	219266	215388	182465	197226	299500	300008	345839	337435	328671	334434	332786	327524	265953	270209	328477	325745	232641	232136	161530	170751	205875	203925	269795	274761	186742	186264	254041	248331	360874	372109	365245	369959	129118	128446	97639	92624	114052	117061	111654	117335	126099	120379	82767	82954	121668	120916	75057	69497	148362	138398	141881	137818	95128	95999	36699	33981	90487	88028	77809	82686	80108	80863	79772	88247	102253	106033	34543	45715	96899	99928	119969	117452	111148	110487	103059	104419	93782	93402	108993	110186	115740	115673	80959	80067	108304	106863	164811	145631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.0683@12.527529	9111	13222	8005	7545	9292	6332	6225	6477	7511	8223	5468	7356	16091	12447	12364	14503	14555	13913	14618	10970	15340	14684	9443	10827	16791	17435	12756	10210	5716	8702	6093	8527	10472	11571	11997	12434	9806	9503	13452	14306	8960	15607	8988	11667	10231	5819	20164	12350	11735	12397	7003	1	27864	15936	12020	11008	12073	10874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24654	17785	7721	1	1	1	1	1	1	1	1	1	1	1	11982	6189	8681	7049	7027	7065	9762	6288	1	1	19515	6366	1	5864	7238	7073	1	1	948866	1	6818	9569	1	1	8748	9567	7116	6746	9985	7923	7868	8937	9496	11532	13668	14243	10052	10331	8460	13867	9461	10499	8481	10635	9935	9202	19010	17293	12986	8937	11550	7707	11347	13863	7923	5832	9391	13842	9760	5587	18467	13560	9822	10847	14909	11821	12468	12947	12881	6786	9643	10449	11562	9788	7181	6430	6961	7130	11172	6638	23535	29586	10507	8370	8455	9341	10145	9042	9958	6319	9587	7221	8501	8606	7238	1	8037	7025	7084	7405	1	6163	8011	6413	1	5931	21287	7688	7060	6116	7199	7940	12666	21114	7512	8614
421.1913@7.1260033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11992	12547	8886	10832	11839	12222	8113	7820	8948	9080	1	1	14044	16652	1	1	1	1	1	1	11099	10662	1	1	1	9627	1	1	14501	13372	12283	13007	1	7773	1	1	9795	11027	15953	16203	1	1	8125	10579	1	1	6998	8781	1	1	10062	1	11759	11725	26739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
305.9747@7.8655963	11488	10934	10264	10081	9441	8805	7890	9278	10915	1	8837	1	10215	10002	8868	9394	8969	11913	8652	7034	9989	8674	10029	11180	11073	9674	10292	10013	10066	9154	12111	10363	11178	12561	10284	9559	12001	10092	10176	11291	9578	12057	10362	9894	12522	11002	11414	10785	12763	10419	12399	11514	11594	12333	11215	11187	12491	12615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8959	1	1	8472	7880	7871	9294	16975	16862	18720	22995	17706	20350	18018	19846	17499	18696	18143	23865	22411	19213	18014	22320	20382	19246	19254	274594	23433	14270	15137	12606	13312	14982	16418	15771	14685	14415	13800	14001	15025	15071	16146	16068	13853	14445	18161	15614	16915	17738	16177	14735	15839	14673	14254	15292	16442	17210	16737	16920	13213	15185	13956	12051	15639	15880	16269	12955	13857	15624	17150	14972	15893	19056	17638	19303	13482	12419	13801	12620	14906	14228	13200	17312	17738	17011	14741	17028	13520	15797	17294	15551	16165	12631	14306	11865	13528	12100	12351	13277	11738	15670	15748	13016	12225	12866	14869	11340	12293	12669	12758	14170	12546	10913	10012	15178	11853	12384	14882	11383	12229	14880	12922	11407	13696
492.9396@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36875	41615	42798	43516	137489	137595	26397	27180	25535	25364	13568	14020	147631	146528	18693	19320	15931	17917	24730	22099	38346	40065	131605	127524	106654	106553	13950	11244	155942	148443	137839	142842	131596	132303	42359	51782	150520	154471	125199	123294	25187	26006	102948	104525	50526	48628	45050	43736	1	1	43755	45769	35049	36931	50707	53307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.3216@0.9809998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19538	19276	23473	25831	74934	68257	17654	15570	17377	18626	12123	12383	133622	135647	6436	6428	10692	9950	16007	16301	33526	34065	106643	103468	78887	87870	16917	15209	160477	159264	126874	121500	118634	120860	7450	12671	128123	122481	106609	107446	15239	14723	78148	78235	34229	33636	35705	33439	6839	6994	27290	29705	26051	26291	54395	42003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.0211@0.9379998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2201375	2197792	1985344	1993286	2380452	2368350	2250933	2203222	2256495	2248309	1949022	1910389	2384998	2410024	1755390	1629098	2254732	2128212	2154789	2192287	1980810	2016297	1257979	1205301	1939383	2038455	1880619	1871779	1936482	1915734	1850029	1886565	2086784	2088626	1375139	1519618	2350182	2326150	2421044	2478384	2178583	2225437	2244556	2268274	2094559	2152764	2273005	2246352	2246065	2209415	1713164	1741809	2160330	2111413	2658265	2569831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.0366@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113316	105284	104769	107720	172431	178352	62527	64003	95373	97140	183677	176863	230985	225900	98455	100876	110149	113764	72702	75067	76671	80887	192914	205198	190514	210237	193316	195404	236131	236055	231478	241658	295464	300512	139352	159775	301906	297571	304524	313716	86113	90337	251279	249133	109068	118050	144101	146669	180455	179410	148058	149143	137762	130043	159766	155487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.831@0.8485803	23499	23433	23206	24613	21092	20794	26958	23521	26549	25650	19854	21128	20134	21106	19339	23209	22317	23135	21442	22296	19765	18147	27366	27810	22189	21617	22543	20599	27205	25664	37221	36917	39252	36734	39655	37888	36512	38689	34334	36129	36514	38369	36954	38543	32341	34883	31799	32644	38218	37630	26761	25059	33948	32785	42555	43762	34712	37601	131062	121515	121718	132960	77651	71138	156507	154580	151606	156287	144433	147736	57016	56277	106048	108861	156936	158048	144254	118668	81707	89471	48729	55385	76552	69499	138046	124380	65670	57945	68573	60656	62692	70684	74142	76894	75984	72871	83050	84187	140004	139748	93262	88665	114830	121109	114187	116379	154799	151780	121502	122754	127022	126339	117198	125091	36693	34061	38013	33393	32320	28845	35475	34117	38639	38593	35696	35187	36649	32937	33353	32521	33281	37962	33918	31968	32994	34461	40008	38697	31933	32682	39386	34720	33323	32205	41684	38297	36989	34696	45650	39191	40260	37773	39610	37299	23523	25691	36065	41075	26088	28191	33709	36909	35858	37770	21873	22074	23271	26344	22445	23474	35415	38298	18958	22692	25748	25352	32651	32631	25215	26540	24098	23214	26510	27205	23515	21968	22666	19996	23013	24253	22366	23190	24281	21723	25782	25546	18112	17532	26863	27576	24881	22820	40408	38847	23187	22075	21293	22882	22601	20468
286.1432@5.949998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6507	1	1	1	43359	36302	1	1	21658	22073	7231	8022	32273	30743	14354	15853	1	1	1	1	1	1	41253	41244	19488	19559	1	1	144237	145118	42722	44504	47466	43665	8408	9517	85035	80666	16961	13515	1	1	23822	27585	1	1	11178	11080	15557	15503	33233	34965	26270	28427	46795	38254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.9517@0.8445098	138182	134113	138025	142886	123019	127330	134600	139819	130843	127261	118760	111536	134756	127485	121251	123852	143244	129931	134384	125655	123516	106975	134725	126561	117329	120850	126583	130657	140360	142280	89882	99236	99725	92520	75684	86591	84454	89107	80947	88869	84805	99006	91325	98783	104491	107311	104585	96797	115091	115632	56102	58375	95611	93464	90976	91912	98832	89621	151729	164072	129694	135186	138565	143616	138326	128865	148280	132187	139181	124220	180065	184757	93386	100468	118673	109466	115419	142409	170028	163142	157141	146112	162509	152947	119861	117735	129991	137368	125039	127793	130258	131993	80822	91100	134740	145328	132873	139253	121422	113178	129452	132826	124130	110522	124745	117992	115645	99385	122733	126432	121158	115213	123517	121251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tephcalostan C	28376	27721	43959	40027	28076	28013	33378	34780	50021	55525	35720	38420	35184	34190	45258	47337	36338	32086	44333	42794	19229	21857	29673	31935	39901	40013	40875	43157	54524	54606	106475	102552	183038	187426	266164	251766	97105	94908	564617	552482	94265	98065	114763	116090	153260	157782	242493	248848	73560	72036	21960	23003	449087	446825	45348	45059	303822	290423	64885	61496	44448	44208	18382	20141	26833	26735	20053	22344	1	1	22492	20610	39658	38939	54889	57968	37673	33291	51236	62365	16290	18291	24918	27454	11986	11233	41371	38019	50831	51006	19891	22147	17413	20799	24651	23827	41901	41617	84689	83459	68084	69788	41435	40435	49435	49171	1	1	144138	141489	71354	75075	64865	46499	26311	26452	14117	10786	29885	40325	20509	20586	21566	24337	21119	20067	10992	13291	32137	33098	21051	21684	29794	25992	35176	33619	31408	31942	20069	30033	19555	17861	37582	36960	25265	27013	13902	16325	31214	28781	28456	26310	29641	26950	41518	41793	17344	20023	36773	33693	29297	20782	41478	43068	22876	20466	22825	17217	17395	17906	14091	12153	339499	332184	24521	25460	32641	31897	20239	20486	32118	29411	11597	12845	26074	25348	37782	39843	26241	25614	24504	25069	33726	31091	15816	20134	31956	31649	12692	15522	36339	36441	35058	33660	19642	23155	24786	23710	83885	81926
<none> nullnullnull 0.8628185	73709	77839	80450	81465	83685	84508	73123	70942	81539	78498	84750	80478	81644	84106	73175	68860	78043	76387	77929	78785	82348	75164	65268	63755	74472	80516	75314	76102	67140	72763	91012	100188	100769	98715	101130	102511	100375	93542	95022	96624	101282	99314	96159	88449	83405	90091	84863	96003	90266	91418	56965	58054	92744	91960	98452	101318	93460	105075	100903	102642	109203	110948	69193	71915	133457	127792	133604	134274	125720	122694	48408	51207	67994	68825	120540	111338	131731	157434	132275	129210	63430	53828	73745	68897	114710	109851	29317	31157	36235	37809	41927	42381	55607	47562	41703	41390	51095	52861	102413	105555	61930	64423	87106	94751	92275	98279	126335	123207	88227	91301	103329	104127	99560	103198	96018	93775	108547	110782	77925	71513	106293	102123	105805	105468	104408	102592	104833	100336	101372	96645	104284	108145	102468	103839	99510	108287	115273	113521	104973	106640	114104	113213	105989	108762	125187	118953	103562	104487	125734	125151	119362	121060	115298	113812	67806	74370	114818	117921	82076	81486	106033	112316	123135	120057	50577	53690	60101	59739	51658	53933	84840	86050	52793	52127	59575	61540	89604	91624	64474	67350	59237	60131	65593	62867	57226	56779	56187	53327	65618	64651	59730	57507	57537	59331	61649	63785	54840	52878	64908	63731	60342	61482	100502	99406	56757	58733	57832	54968	57355	57081
549.865@0.84235436	174467	170666	177500	190382	221202	218580	172785	158306	188762	176046	209661	207548	209975	217114	184174	175540	190267	181849	178719	182370	203284	207665	145818	160734	202567	213324	204365	203217	175125	163975	233687	228358	225953	220274	210512	215600	217904	223585	230641	216821	225506	222388	220135	219000	241313	252174	231461	242058	248625	256405	134839	136869	248076	243608	249706	253986	237136	239955	133523	124801	119707	117514	87941	81395	142158	129815	133079	136189	128852	111861	61088	55565	97711	100180	133870	141347	120491	98853	75075	84227	57447	59248	75713	88922	120024	116443	50896	48958	62113	58713	66397	62482	69621	70535	69195	68694	87180	81116	145022	148998	99837	93274	132166	136939	126941	128873	150401	147651	132785	127372	141905	136235	129834	135803	164345	163027	162539	162004	107609	112004	159674	154159	165674	170298	152405	154191	153432	154361	153967	155595	162491	154904	158344	157596	167378	160555	165949	163950	155577	157168	153623	158461	164821	162585	168189	166657	152617	157447	162668	160205	154950	148102	160477	162287	101926	99819	171036	167144	93734	98875	155395	158419	158415	169266	75234	77477	81415	82089	76835	76859	111837	112163	72951	73248	79267	78044	112453	121011	92639	92559	74305	71862	95069	96963	57774	57707	63656	66678	84309	78219	56480	56144	67476	67758	87655	91151	68991	65325	90054	87883	62701	57914	120761	117319	66648	69907	52140	53839	70919	71623
605.4686@13.699253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21790	29286	28056	33283	28571	24780	23551	21072	18456	14759	14225	12576	14134	12569	16464	25862	20813	14877	14647	14071	13164	10002	9956	8055	8784	1	10986	12264	12297	9876	12263	10963	11840	11457	8016	173054	1	13162	9636	10228	9373	10373	10999	9902	10167	9225	9439	10091	10290	11061	10655	12155	10721	9037	10875	11856	10571	11171	12029	9262	11955	11251	8809	9833	9383	9578	10648	12099	11968	11168	12301	12604	8296	9733	10629	9525	11015	11688	9695	10005	10762	12223	12955	9104	11904	11385	12535	15140	16795	13650	15463	14666	12499	13627	13585	13465	12630	15184	15257	13673	14568	16084	9818	9899	10002	8733	9468	8954	10538	9254	7761	8946	10049	9848	9224	9253	9428	10219	9558	9291	10003	9645	8542	11396	10469	8962	11443	9672	6952	11885	12524	10127	9551
Benzyl 2-methyl-3-oxobutanoate nullnullnull 7.213997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7895	17236	14638	89305	35004	38547	42662	9674	15581	27994	15714	9440	17523	45739	18779	16994	9534	13577	13655	16272	31039	22257	77771	78980	43051	51312	27944	14437	20731	27051	39942	52411	28417	42097	21719	14464	34022	28766	40040	44243	21316	20461	46714	39966	14565	10035	32655	23983	11008	15105	33990	42673	59879	42916	206577	35639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H N2 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30261	31006	29225	29231	74809	77803	24145	17354	20288	21676	15115	23259	134974	140229	20527	22865	15435	14520	15977	13628	26372	27749	89868	89914	67462	69090	13132	15129	156887	161989	125354	119713	120262	121728	39029	45769	132664	132358	94783	100089	25625	20152	76721	82886	41267	40513	39362	40391	8279	7210	33689	35158	35412	29585	50320	40934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.8651@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80240	72084	51268	50718	116716	108459	57392	72275	70370	75630	58898	42166	157700	144887	40324	30075	66319	61447	91664	100794	59841	74971	98204	94069	91176	99862	59426	55483	158084	150910	120332	117691	122477	118281	53876	51817	121926	113919	98096	99970	63648	68034	84545	84364	66341	64509	74604	70577	80122	63834	55618	64734	62792	78837	72230	90995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H30 N2 O19	13195	13654	16695	19997	12230	11076	22577	22393	17059	20704	12484	12735	14284	14546	19253	22046	16063	17394	21158	22094	9140	9327	26283	23987	17022	16146	17949	15226	22265	23560	93471	95777	217354	218769	268358	252912	106379	107408	631872	614402	85588	92087	164464	160492	115295	114810	283712	291570	45244	45702	28514	33782	687836	683426	47530	49229	456582	460799	47683	45671	33786	34593	61201	59551	17788	19207	26573	28738	13392	14173	38039	42265	25088	22426	37961	36862	25869	24688	35901	37821	26478	26697	60273	60145	22542	21637	137975	135836	107197	110303	34666	36518	10742	16526	63799	68627	73770	72864	62202	65588	110913	107405	30420	32247	39132	38959	16841	16343	94050	99789	73342	70807	70874	51911	15333	16674	19895	18888	9772	10499	18304	19431	20285	23748	21479	20565	27141	27320	40297	37989	16747	16525	21925	21679	14685	16287	16588	16414	29226	31585	12862	14796	26762	28099	16936	16202	17548	15895	34960	35138	43542	40879	41609	42257	18509	17712	31352	27976	18828	20579	26601	25057	38009	41409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H3 N2 O15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14294	11835	12882	13869	60089	56879	1	1	8196	1	13011	14202	113676	110645	12766	12626	12082	9171	1	1	1	1	67227	62955	43578	49554	11800	11825	167995	159477	103171	103783	107954	111111	29120	32926	127031	122968	41122	85436	9829	10880	64178	62211	18000	17479	23404	18279	11406	11576	20359	21449	13859	14697	22464	20739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.9867@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23729	22152	22273	24839	98112	60616	12567	10605	19307	19163	27564	27546	123926	117369	25158	23146	20237	19557	16399	1	12652	15030	71302	80884	66040	80870	30037	30947	153431	152451	131992	144752	170889	170497	49002	68445	177706	184940	162901	157351	19510	21552	118820	114066	33944	35535	39554	43515	23492	25829	40301	39758	31147	31972	49758	40972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Monapterin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45352	42841	101438	1	185463	184780	55161	57481	1	1	151974	154146	682887	688665	1	1	98479	101454	20581	21904	111209	123224	613027	631851	253972	221400	1	139793	239939	241599	136123	135888	330256	332141	1	104008	384817	370885	257140	254611	49966	52572	124952	123315	126158	130751	123070	123155	83919	88258	69541	66314	44652	48129	172863	169362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyrroline hydroxycarboxylic acid	374830	382181	495103	496410	304942	294765	521142	518162	422223	445511	319278	324157	398728	411354	479418	466942	389814	375970	374838	374436	266271	257597	648018	676233	389820	392485	364791	374716	540074	553665	19356	19539	42318	39483	13011	14887	55209	52429	88490	83771	29293	29195	12367	13220	30046	26702	54280	59186	7525	1	26664	28012	90396	84958	1	1	38997	39289	41982	42908	42134	40802	104695	102312	30375	27644	35807	33894	30310	26178	83318	84351	31969	31506	34493	37274	23320	22476	46851	51292	80602	81830	68186	64966	35921	33935	167159	165037	121578	128477	95921	99823	29689	34012	104622	105896	85102	85330	46051	46832	99493	92307	49329	49107	57671	60103	26354	25900	59972	57226	43807	40852	91513	64902	90696	85130	115114	114771	64128	64835	92879	92123	48892	50416	120797	119787	97383	98280	155571	148911	109371	104869	167933	170967	125676	128820	103385	103765	138177	144763	137328	143732	147242	145688	66854	70568	123158	133508	45434	52376	121018	115272	69662	72355	121975	123890	61973	59723	159718	156563	168513	163887	66983	73568	49432	93231	88681	46189	55774	51929	23702	64613	113531	121210	137499	47915	72360	88183	40853	59424	58545	51631	38288	40663	326314	314264	162537	167583	45435	51112	415257	407364	172761	162517	98922	44781	146413	87563	55282	54514	307012	311665	41372	69383	260447	266846	435979	453834	164752	161967
C21 H21 N8 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7552	8275	11091	8408	9805	9011	8315	10213	11439	10029	1	10206	8948	1	8720	1	1	1	1	9590	8460	12387	10741	10296	12706	9931	9557	10980	11373	12552	10745	10894	10399	7975	10898	11147	11229	11674	11785	130256	13116	16552	15151	15543	17514	16394	17161	16063	18181	12329	13448	16136	14489	17843	15073	15751	20296	14743	13963	14425	15753	15319	16681	15667	14563	15224	16474	16072	14445	14380	14071	15123	13425	14208	13289	12371	11885	13979	14217	15953	15717	13576	17006	13530	13598	14285	16497	16656	13745	14133	14790	12436	11849	14277	14727	35390	32571	31979	27627	14048	14088	17372	18335	25028	22175	15527	13496	17338	19057	11324	11823	49686	35280	13182	14407	18143	15949	32131	31184	15659	12477	12796	13816	14232	12729	14900	14503	18570	22234	9954	13531	22588	24118	24856	27392	16425	17416
407.9117@0.8800001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34012	34537	40123	35956	48694	49198	27272	32481	38129	35263	34583	33349	71433	66713	35592	29132	39641	40641	28796	19292	28397	24448	50226	55196	41686	49890	33281	38228	61525	63161	50748	53561	60068	58797	26226	25852	48464	54304	49441	57910	38371	36030	51324	47276	41305	69283	42584	39181	43669	41053	45104	40331	64235	36991	55140	87137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Demeton-S-methyl	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	150007	152075	113568	111180	169275	151468	134661	138332	123791	122794	117032	112225	136237	135283	154267	140154	147246	145403	160314	158691	124448	140817	101578	93383	152518	163643	123562	112882	154253	153933	156372	158860	139293	132382	148698	146926	185956	171811	204746	214123	169238	174037	211655	209153	174645	182851	177647	174560	172410	182707	169466	176430	200278	188030	204312	196637	126698	120817	47764	50397	91920	93617	106019	103800	71033	71595	94892	102150	55648	58548	164540	155662	107612	108195	145621	143334	128890	127074	107480	108805	136396	136646	94048	93413	147912	150947	71370	76178	57987	63613	57116	52865	99012	106093	85984	82828	262033	265102	75261	72582	122958	117342	143356	138432	77525	79594	30990	32082	38577	41620	73052	77033	49248	52558	86306	94528	49554	46860	105528	108071	50790	43683	62423	61079	43438	42693	72026	72453	117386	116234	63725	62078	82652	86347	89279	88420	55605	59538	113893	113685	42981	44622	73542	71230	77696	80703	76244	76216	79305	83340	108856	109419
956.9781@3.4579883	1	1	52155	1	1	1	48809	1	1	1	1	1	1	1	1	1	38257	1	1	9546	35905	1	1	95621	17394	1	1	1	17081	1	1	1	1	1	103993	1	1	13260	22337	1	1	1	1	1	1	1	1	30363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38417	1	28828	1	1	1	1	20760	1	22066	65558	1	1	46884	1	103050	1	1	1	1	1	1	1	1	1	1	1	1	130655	34257	119703	1	46788	1	1	1	1	1	14811	1	49141	127361	1	1	67255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.9856@0.7890657	42438	39686	32469	40597	29574	30599	27392	24338	38013	41831	33331	32771	43808	31583	21554	15663	61090	38063	27482	23432	30071	36102	10588	13763	32361	30508	24647	20951	16474	12954	80721	81482	79366	77943	83042	82457	85945	86240	66794	63087	83918	87346	87665	87054	33634	33638	58826	60563	105601	105608	110059	104676	79836	77199	112144	108311	112999	111776	90183	92064	67210	71317	85478	73076	73344	74811	85129	85529	65443	62884	80627	79150	78292	72709	100035	107694	89292	61874	41158	46289	16001	11063	65154	68578	74861	76708	85486	82495	56752	73039	89377	91314	32041	66509	107539	103166	86962	91352	114590	112264	103877	103201	99837	105573	125371	117981	119240	121022	91245	88555	111447	108020	123261	126859	34324	30190	34593	36414	35065	38941	41934	40750	37763	39019	11719	35221	33140	35082	27531	27034	33753	35710	27101	31526	31299	29727	37842	35996	35630	34473	33921	38848	30947	32334	39301	35103	34235	30918	36791	37548	37493	35251	37099	35982	13989	10379	35188	37596	34973	35614	25183	30701	30118	30454	11038	12055	12357	12626	12585	13636	17718	20954	15312	15967	16927	18924	17356	12229	15251	14524	14603	14114	14004	13811	12757	12114	20137	17513	16243	16238	8836	8568	26308	26375	12273	11447	17781	15123	12663	13182	20232	17338	23505	20568	12797	14556	9458	10008	12023	10384
C8 H9 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	326415	310691	355431	348526	366493	345932	330445	333671	366891	367979	337788	359557	362592	367009	266052	246030	341920	344787	344799	329393	354279	362821	372558	350094	371156	357288	331451	330511	318275	313996	314779	317363	379283	376590	214001	286893	458993	461687	427534	412060	358352	371915	412209	415891	417062	422299	430398	425083	348221	353584	396942	404798	407526	399673	622903	487493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H8 Cl O S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25901	30327	27369	28068	58316	62028	17526	15208	17241	18506	11400	12963	84025	84281	14613	14919	13362	12791	19320	15188	26362	25437	61472	70082	60225	57408	11600	11443	87233	84359	73952	76812	74953	80825	31053	30447	90531	86528	73534	74574	18566	17488	62234	61621	33555	34917	31128	31920	8426	7310	32842	30133	25142	27936	41473	35914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Hydroxy-2-butynal	107765	113805	103743	104569	89401	91075	115770	117921	112951	106268	79233	84022	103663	101154	110524	116803	55759	93555	105011	103173	79887	80193	152453	158224	87945	94453	105703	105505	121990	122544	65988	86002	132328	133032	101999	101449	71218	82079	156869	165899	89688	96768	100248	105198	107358	104552	128646	127600	56492	60067	38020	43636	115476	113369	53444	50390	151202	115413	65831	59545	78001	81092	89108	75546	56666	55562	63885	66561	70648	66154	105621	109440	41069	41327	66260	49968	52983	53283	49526	56053	57639	65900	66547	65191	53945	53475	89422	84270	92259	95633	61168	74781	48393	59123	86937	84960	79112	71919	51562	51095	85579	85285	71357	55976	56293	63138	68014	67126	56601	56455	54903	54458	74358	75157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.8606@0.8559315	65319	61379	63222	65058	56754	54545	69370	62682	66112	62615	59209	54892	61649	62961	49377	47328	70009	66752	62757	59233	52521	51774	60030	61412	58926	62551	54797	55520	62360	58974	67106	67620	79831	79377	71966	77685	70698	74553	64695	62196	69689	74714	64413	62556	53139	52295	54913	59085	65037	65478	36024	35529	64028	62060	79624	85138	74866	77411	58041	62005	61906	57954	112347	100439	54365	59814	65501	62709	52479	52194	160059	151566	38015	36688	53524	50486	54229	70244	63187	60820	92574	92719	86222	80953	48210	50096	153366	149548	120009	123300	117500	121752	52779	49679	128114	130938	91909	105251	46117	43541	81188	85245	54072	50810	52027	59748	46630	48949	52262	53041	49110	43368	58801	59311	52339	51246	56369	59014	45188	44615	59037	58818	59653	61426	58228	55526	55789	58230	51629	51827	57740	56635	54843	54732	52147	53388	63553	57401	53129	54801	62987	60092	55925	52177	72237	64198	57837	57814	66723	64932	62122	56601	57657	61935	38292	35521	57634	62535	41288	42728	54360	53891	61127	58817	27556	27933	31287	31350	26821	27254	47567	49359	31479	28569	32404	32376	44842	43944	35247	34242	30536	30169	30467	34680	30995	33060	30111	33347	33001	33104	29409	28045	34270	35158	34782	32308	32831	30789	33220	34314	30056	30682	49680	53229	33421	29482	28298	29438	28984	31248
367.8833@0.8591126	79309	88853	73095	81161	81079	87460	79304	70106	93353	90279	94630	100466	84162	81885	64238	71599	84247	75514	76834	78499	91425	85311	66224	63530	85908	90329	74474	73464	67452	62404	139965	149732	139016	138905	142763	152284	153829	148926	127573	119205	142263	151451	141080	136657	111231	113182	119934	126721	146519	136488	93233	93593	132297	128308	159806	156696	143140	149427	123705	129262	114984	124239	78820	98510	152876	149251	149429	141917	122772	121603	68281	75434	91677	89585	148892	134562	139254	168518	117010	124215	66699	58010	80587	75403	116247	116647	46672	61560	58859	60140	62251	64566	56239	58964	57987	68894	77585	77926	123087	128534	84616	72242	91643	93014	99790	100681	141792	134312	95687	103499	118217	111836	118449	115096	99167	97673	114380	112578	97959	90961	106618	110341	119535	122358	107808	102472	107501	102122	94621	99066	113795	113975	93963	98101	94251	99254	113071	114285	98510	98268	112044	112455	104552	105705	126537	127944	111246	108730	126882	134883	115806	121200	115393	115004	71530	69186	117657	121170	88104	82984	94936	95018	109454	112708	55486	53542	77413	82416	76378	76172	120188	116513	61850	62571	94403	89167	88995	88812	84672	84916	83570	85558	93397	95083	71173	71547	60608	61572	100449	94810	71277	67201	72561	75065	86649	88287	67662	67964	92165	86865	77759	79363	112616	105162	78504	74046	64482	59089	63958	64414
389.9284@0.86745906	87386	80360	74661	80556	70318	73252	77820	79076	74422	87631	74409	67284	85081	81725	63267	71734	77439	73378	80991	76327	65341	64617	75520	82684	74282	73619	75463	77176	75935	77394	56809	52348	57235	57122	52012	50450	50438	50869	60215	59476	63044	63868	52572	51724	56261	55176	59844	59957	41252	45133	38731	33467	67966	66232	38539	44805	83468	85998	123700	132343	131614	142908	118482	115331	131957	125901	117242	120022	81498	85767	89186	89334	89715	82877	97710	101895	127879	112738	119503	121450	103717	105849	120612	120627	78536	79614	75655	74519	90327	91009	77387	91295	84780	85161	104051	102762	118562	115834	120819	123759	120042	122412	142813	141562	134137	137411	81486	78799	128883	132584	143361	137098	158498	155081	57934	59646	59114	57772	64008	63586	69068	68521	40667	41313	64946	67666	65950	64164	71119	67180	59991	64033	72208	71850	67471	68420	69838	67172	68582	65560	71992	72275	66074	68008	58398	59734	56472	56041	48356	50793	67539	67654	54196	56246	64345	66824	47077	46003	84427	86093	72791	71545	50248	48596	23308	22251	25305	23121	24689	25169	29048	30075	39345	39125	26677	24794	39544	41945	23221	23175	29537	28724	23065	22922	42426	43252	54843	54370	28298	28014	41177	39414	50795	50688	25448	27212	46914	42224	25211	25569	41024	43138	39458	35413	39882	40180	45991	47766	42414	42333
417.8173@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88856	88911	89344	95215	101200	94227	112934	106579	112361	104181	92155	83137	91610	96165	58768	59289	110898	110602	107460	97107	87792	89471	79810	85565	84740	82046	85247	81651	85030	80871	73070	78246	87554	83718	62477	60462	96253	84170	90702	87364	98378	97667	86313	87070	92529	86750	97458	99033	110528	111692	76566	81152	104279	103844	114977	105244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
482.068@1.1800002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37647	40401	1	1	1	1	1	1	85473	84707	1	1	1	1	1	1	1	1	51856	44935	9250	11570	1	1	136063	143696	89623	85369	91874	84753	1	1	94703	94049	20610	18873	1	1	32872	36533	7500	7804	10483	11149	1	1	1	1	1	1	1	10526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.8694@0.8424754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101213	100146	104214	108629	69605	66966	116890	112821	111480	111111	105055	109707	38582	39682	106988	101554	127073	132366	118631	80575	65738	75393	36664	42131	57960	65177	99791	100249	29939	27510	37801	42309	48520	49592	77180	77660	56022	52349	69368	68196	127411	133625	79691	81365	112520	116687	123937	122257	126697	130675	112710	120532	120402	125613	130001	119162	108689	105258	103331	101014	96301	93486	106551	102570	103086	101623	103707	98508	105529	105242	104359	108791	105064	107879	105376	110882	112685	105260	109380	111465	112666	111067	102189	103406	106939	109166	109173	106835	103433	110374	104134	108736	111449	108987	105003	109144	92302	88797	108968	107809	101752	99812	108770	102950	103826	111332	81369	84765	85131	81085	84481	88592	85249	87612	102449	105152	84233	85883	108497	109469	100660	96119	97668	87890	82010	84136	106053	104802	107706	104320	95980	94363	102952	105084	113422	113467	90758	91085	108456	102913	93109	95556	109741	106195	96277	95449	102523	103931	110681	111218	106750	109729
Xylobiose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	261167	262344	163900	167695	132854	137892	107064	108857	100618	100461	29672	33096	125738	118771	168115	157873	159112	153904	127415	127427	182350	187732	75571	70930	124327	124248	49352	49933	261716	106887	237628	243083	96236	93574	98633	98803	142751	138859	177715	179998	261521	251897	278346	267342	127989	134424	162271	160114	28190	29967	378972	383635	219523	212059	162245	145922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Malaoxon	26372	26092	38319	39081	25937	22500	33141	33801	29739	23885	20630	22578	23659	20602	22032	21213	28481	32152	23117	21769	21644	23216	26585	29199	22390	26189	28168	27527	37795	38618	16288	13447	19961	19704	7753	9975	12805	12227	14685	18896	17546	14647	17319	17991	9138	9683	19957	20955	5966	5990	1	1	22786	23555	1	1	12054	12710	32230	29823	40219	42388	79927	80226	21370	19825	40837	40971	31161	30528	150982	148908	23311	23703	31319	30528	38424	66939	96230	99530	136740	117660	117955	123375	51669	48226	123536	124792	92772	98373	128452	121706	41242	51387	141885	147733	120781	125330	42910	43623	109546	113230	45173	48746	83990	85214	30894	31833	58647	58621	51984	50621	87976	95339	99106	96971	75478	74592	111547	113178	125177	124978	73727	72010	99534	100214	87907	84593	121248	119587	107898	116294	134419	136819	104300	104723	117506	115689	126221	129082	108423	104191	120010	115566	86027	89973	76010	72458	50938	47974	106485	105229	67646	67243	111517	114125	65328	66122	143653	146144	135585	140099	70456	76250	6717	6380	5898	5916	1	1	1	1	16178	15304	12485	9503	1	1	1	1	10290	10899	1	1	8647	8234	20551	21018	6096	7044	7896	8427	14001	15068	1	1	11977	12600	5981	5820	11772	10943	1	1	10470	10340	8533	8019	7585	7885
<none> nullnullnull 0.87254465	104753	103132	105924	105209	133717	132906	93172	95062	102112	106890	130709	128852	122995	121657	111196	109432	100247	95685	106828	106364	122070	120144	81789	83768	112024	117580	111910	114467	92024	93744	176847	190251	173347	172960	188035	187632	188021	190644	177895	182186	171534	170436	191522	192252	180559	178276	177998	183976	184650	197191	134164	132450	187228	188285	216781	216844	177903	172541	76303	81566	90493	97387	43301	42696	109326	110369	111339	116016	118485	120963	29054	28212	81084	79428	123138	126735	113321	104460	92111	97958	37031	37432	50817	48523	121575	123493	16853	19121	27073	23909	28001	30105	60437	55821	29018	29097	38033	40589	112541	116273	48106	50423	81283	86622	92656	85710	150924	156349	94080	96536	105487	108216	91668	103870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
519.8466@0.8516307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	142247	145378	135810	143940	134895	129831	131076	130195	132558	127893	110714	104076	118762	112320	92245	87388	109501	109083	123238	107546	117533	133912	111274	106289	127074	133762	103714	102252	75683	79624	100687	101984	106086	99416	89860	87245	116739	113211	125573	125039	129819	126401	131935	133666	140464	140793	138015	148821	98613	90975	130417	136605	139456	133094	144814	153381	28027	40564	35070	36698	38420	36774	42799	39713	27685	30422	37618	36720	43372	32086	28173	36727	34545	31974	33291	39253	35125	43334	50700	43863	32076	29706	38390	43752	39371	31376	41249	37059	27102	33518	34833	30269	43450	48451	31256	44026	56759	37228	23517	34350	45443	38831	35110	43491	27020	28298	15653	18222	30344	14154	20569	23210	25842	28181	20125	29807	26105	18363	23429	24309	24024	28635	22446	20703	25354	18649	27501	37887	41406	43224	21048	23834	32470	26298	37732	32866	18062	18419	37685	30098	20110	16512	26489	33772	24663	18391	26072	55228	36591	35028	33764	32057
501.8593@0.8518932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60791	66657	72398	75308	72951	75604	78721	74918	86356	78598	67190	72221	88051	79566	53173	56684	83769	76813	83518	84310	58258	59680	43349	54391	56583	62360	66801	68461	116779	119731	104882	106523	107702	107341	82057	78425	128734	124593	93434	99189	70398	70160	92048	96390	64859	70044	72266	70266	87870	84306	68643	67642	73951	66826	88163	70093	90626	88850	99386	101573	75148	76133	92955	92332	98697	103873	92518	88366	94362	96263	90020	85883	92712	95642	89527	88078	87774	83341	94825	93339	89574	86985	94725	90651	92039	88578	104500	103446	89212	94557	110869	108143	93913	95222	98205	98349	59907	59525	104218	108468	68738	69432	88125	91172	100328	101094	55631	53176	60392	61061	51119	50554	95308	87486	46563	44792	61023	59003	82347	80011	68441	60660	54606	56049	65283	66292	56994	50904	45868	46119	65438	67851	48426	48587	50248	49854	65016	64788	50900	46553	67866	64686	57249	57714	105686	103523	55423	51345	49907	52140	52921	49584
Succinic anhydride nullnullnull 1.0695074	405019	410330	425437	415577	210476	444065	203612	502208	273712	395895	354687	351583	399676	391648	369077	356906	203094	169870	371106	523715	150750	148127	393128	612096	208679	184832	358973	148570	371650	355624	38094	35416	57660	55985	23792	25551	63839	23441	38398	47511	31425	23756	38840	39564	53299	58384	27492	19589	75386	50020	1	19413	102893	103041	69158	74140	61197	50923	23495	21280	29199	33839	140948	548244	89246	91250	120838	119885	20951	24220	203519	194074	66081	58707	84452	203716	106983	332962	175328	182588	125609	138683	278178	174332	134404	149654	337914	349570	265628	169582	266631	268787	7256	28088	285494	298307	158564	180235	103950	105273	186511	172363	56727	61541	51195	42033	70888	61787	131065	135580	122361	57824	217245	199141	50089	50005	52369	56306	47720	49249	36317	41378	31173	35092	31074	31024	58232	59023	61085	41000	41581	11266	52963	40603	59652	59378	45640	44892	38000	19899	36498	29896	45088	46966	1	1	48637	30889	48312	41840	49856	57120	40469	55681	72192	67970	48441	50456	38963	55690	54622	50075	84178	75836	27591	25196	24104	25534	90137	94860	63966	60615	193366	191621	31595	32888	78762	75908	26243	27079	29483	30544	18437	20752	88812	85434	98720	99513	37676	35958	61272	62869	68771	67503	30224	31563	69585	67054	21263	23300	69744	61211	129688	125923	104944	106392	59698	60749	140068	139295
527.8803@0.84210706	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	175469	167108	151681	162749	110056	105369	191885	173251	176539	182442	167712	170164	81693	77895	144833	135976	192871	185825	172558	145399	118685	122890	68520	76844	101077	110533	159686	156741	56641	51364	70984	74883	80935	75491	103187	101201	88539	88574	110625	103439	195675	197255	129984	122420	172977	175685	166744	164051	193289	187630	169158	169175	173956	182909	168710	179872	211022	214885	211471	203135	164314	164068	211370	204498	207623	210614	206162	201230	203418	209174	205347	209401	212365	209557	212472	209435	219216	216565	212356	221352	214021	213327	211111	211557	210979	219787	216128	216629	210049	207442	221743	210721	222233	219382	207153	211688	167691	165441	219271	223063	162064	162778	217845	222830	213273	220496	131452	136204	136421	139371	134828	134048	156155	166587	165919	158025	142325	135272	183271	183863	160988	157714	141029	139485	146623	143906	149832	146986	151431	160558	143764	142825	147141	142672	161039	160901	154146	152355	153934	150734	158471	152833	149463	143177	178338	179998	147960	154707	135987	136706	154742	157902
661.3942@12.008999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37254	22283	37908	43216	89072	33481	49302	47425	19570	1	101784	54960	93372	53340	31612	15508	27679	18271	20001	1	190821	149626	2128632	103010	97081	57462	65120	48294	1	1	17048	26944	98623	27057	1	1	137064	45136	182906	41071	54771	23422	216014	120000	25040	20845	470831	87358	1	1	208840	90915	21581	28224	172365	36837	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
615.3535@11.128337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7710	1	1	1	26779	16551	1	1	1	1	1	1	19981	13502	1	1	1	1	1	1	15478	11897	161617	57877	30576	23783	1	1	27751	21567	23128	28544	30930	18428	1	1	34441	24413	36719	21638	1	1	36015	29006	8712	1	37042	13300	1	1	17957	12515	11941	9601	9337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11134	1	1	1	1	1	1	1	1	15153	15850	14426	13086	1	1	1	1	21606	14925	34244	29956	17006	16729	11039	9753	20630	17673	8815	9958	22529	14205	1	1	11316	8525	18667	14514	12966	10811	10345	10034	23069	15430	13699	12380	35618	12068	1	1	20677	15880	49531	65441	17727	16108
C22 H6 N O26	212533	581559	556647	211634	444468	224913	223333	320738	215456	208101	1	1	121995	78550	1	1	1	1	1	1	139891	1	1	1	187993	1	213392	521419	89868	271002	451685	280672	87015	194834	93023	205772	173044	408269	128760	146113	124063	135530	226845	268674	213211	190169	246784	244137	107557	444001	94202	159598	1	124426	376283	68201	145333	110380	51217	81320	98656	44542	124498	74253	117923	149532	40313	18611	185408	57180	240381	31829	98132	31855	53393	43729	21482	38934	98841	118391	254408	1	1	80554	89988	132988	66401	48588	97652	64946	162059	171218	22241	108609	205253	89075	256414	251810	194128	226769	228749	172449	32692	61763	235148	424868	38131	76841	105626	102540	84033	105961	1	94142	90320	115088	43530	164008	117379	42044	92138	127676	31856	42903	300252	91853	61526	96056	98922	121622	117796	52520	72313	417781	30016	274605	28622	30775	50681	207389	70285	89130	60597	106283	18527	70568	100919	36185	12477	39485	99579	65280	41476	143226	77112	109080	81999	220500	76761	132635	91620	59679	145253	14960	183877	232086	345853	181297	444594	192860	142310	130944	448179	487635	1	1	670195	412657	141567	138912	46186	154474	255891	266483	198480	80010	102771	227443	275534	103971	126472	246331	417778	116980	183574	151512	146280	126877	340792	504139	239049	174439	218903	109650	143447	168706	71759	1	282237	55710
> limit nullnullnull 0.8921818	82943	169335	220775	98774	154032	75551	211340	155019	334952	147236	186270	119512	207617	151043	77309	287289	137694	175057	145600	124035	165945	171079	170326	160449	189324	160096	157523	173041	256792	335236	156357	155122	61831	58814	175202	206758	211991	81244	89653	154174	97975	160632	176076	171409	165873	224362	166371	171891	153071	163370	90388	127986	74294	176259	67507	66762	61059	56851	131809	177606	160308	229915	123503	148797	142621	136974	147704	136490	144263	156796	153864	113054	124462	180366	73025	225004	155750	85103	237510	141358	167437	95061	159413	207881	121223	161180	183185	217690	844583	167573	165737	147906	157498	130032	119849	107491	543341	122169	157494	130529	150513	140582	142320	150562	135243	124800	140494	118759	124495	124480	136103	280447	219590	117004	168999	140909	116083	113279	138085	139798	110349	118884	112469	44889	123837	129553	118701	117446	126700	119416	151430	139218	127936	169379	153092	131363	140653	169728	124578	127123	117946	129165	124304	132525	130292	110948	109661	105692	107326	115300	129529	135491	107300	111032	110223	117084	110388	110070	101501	101772	120167	124613	111747	106650	133812	108542	114871	113279	122010	124645	140660	93172	101465	101623	94937	127022	117118	94536	135150	150139	107946	128964	94142	120020	87491	95868	87356	101691	113090	116173	103416	102081	86461	100557	116358	124953	129851	122648	153477	122252	104440	107548	114184	151451	128407	124906	111146	94786	109774	106368
(2'S)-Deoxymyxol 2'-?-L-fucoside	95362	102278	105439	111938	112190	109769	89665	93198	85755	95255	108275	107932	90959	90246	85035	83199	59898	79919	79114	81911	91133	98761	90989	100913	125853	127012	122954	123546	116038	114292	119577	119090	122338	120051	151002	150727	131557	127776	129454	127098	128723	117830	127905	126159	111652	118438	119022	125514	135069	141880	157576	152573	143498	147493	154390	154124	138888	141620	55642	57108	56344	55255	56348	55707	66094	64287	65839	64207	60607	60914	60101	58273	13816	15469	15044	14302	21437	21953	16517	17516	15216	18101	26531	26694	24010	22721	26148	28295	27559	29683	32496	35603	71959	87641	78093	76613	83242	86346	82478	85079	83622	74452	87680	86428	82716	89625	91934	90418	93652	90409	97013	88405	2997432	162184	102721	96403	99767	98958	88866	95520	103200	103150	102164	107629	95696	96852	97619	92858	98777	100145	97800	96697	90025	91269	90228	92334	98012	98691	92882	96313	95621	98850	93416	90353	95862	97219	97669	95789	96054	104594	98489	97425	88423	93592	90464	92703	100616	108351	91741	90404	90393	94830	101364	95277	476332	463145	456540	460155	450126	447526	462429	448983	296818	306732	442949	450498	466614	467163	568845	568939	535145	548405	538023	547764	496207	493657	441177	431540	466321	459205	451568	441093	434046	425011	465953	442035	424060	430039	444738	442424	371178	395823	401400	403884	396253	417928	409134	389255	341096	339284
(-)-trans-allethrin	68041	42821	18912	21501	22905	20166	17197	13870	57886	21635	35358	31454	78978	47247	73969	67039	176820	45493	58709	31717	75271	50990	16577	12158	16850	15304	15100	13975	12665	10040	11177	9245	17392	14930	20841	23036	23351	22526	41428	34482	34911	38623	17060	17042	1	7368	49084	39890	1	1	22443	18162	58773	42588	1	1	28469	29721	15545	13909	33877	34519	21708	14510	22006	21327	1	1	22183	20932	27649	17918	28457	25091	29476	29555	22648	25014	54336	53703	161003	81469	51622	35818	39962	34438	1	1	16551	16856	18969	15089	21985	19813	30059	19868	41654	31729	48642	41017	51268	36544	39520	37552	56852	38859	20864	17434	58029	50663	26781	26394	32173	34418	10790	11714	14126	13888	14172	12651	12288	13176	9083	1	6961	1	8391	7991	8002	9327	7892	1	11218	11002	14640	11214	14200	14624	1	1	1	1	1	1	9003	9782	1	1	1	1	12352	11366	1	1	32408	34289	1	1	11343	9290	1	1	12845	11752	19974	17594	19511	16310	1	1	1	1	21926	16810	44463	51901	25499	21174	10072	7248	12458	1	9030	9434	19421	15786	17828	13505	20302	18689	9501	8448	7939	7655	16511	16595	13969	12067	8494	8422	31837	11957	1	1	15575	10946	17345	53951	17643	11269
DL-o-Tyrosine	21954	24171	16491	16687	7739	8483	18087	18678	27876	27515	10277	9255	16160	14419	13076	11979	24564	24375	20508	19577	16023	17394	22297	22930	13720	13574	22241	23274	32808	35105	36741	36939	44875	44604	32889	33355	21739	20128	56354	55389	30649	33256	18425	18048	52333	50293	60135	68665	15313	16392	8037	9005	50957	43258	1	1	41013	41073	14298	15582	16042	12154	26370	26511	9773	9314	7888	1	14178	15426	52221	53699	13746	11886	1	1	11817	12297	19470	22676	56074	53766	34520	40046	21092	21302	47903	47439	39689	39971	56641	51289	14744	18656	57100	62532	61413	57890	14053	16870	49776	49866	23988	26087	21244	21923	14217	15957	26120	25278	26769	27638	29893	25468	8577	8144	9984	8536	1	1	24375	25829	6779	1	8051	1	12488	14893	7956	7699	10504	11294	9052	8388	11253	12760	10194	11429	14681	15537	7378	7666	17343	16242	7867	8351	16174	13572	7835	8134	1	1	7314	7922	8512	7862	1	1	8824	8236	6672	1	9227	8753	114020	112500	100451	106301	111716	116445	72024	73627	155275	156557	86731	96798	149591	139703	171549	171525	153829	151408	106520	113218	663090	643750	248424	235395	119313	115042	808185	785097	246253	238395	105115	106839	187866	182732	164634	166550	379913	384994	58105	56908	503463	508351	624223	642489	232627	223620
Probucol nullnullnull 9.066825	763117	780345	135270	141879	66231	66489	263900	257794	498193	485011	218106	221558	400516	385935	631497	611448	386484	289102	426570	401685	286170	291405	315065	343973	201187	201382	1510643	1493361	378967	396767	1387589	1404371	730179	722810	1385939	1387858	1108281	1084107	1850596	1857161	1896119	1877585	577894	582543	3857199	3762025	1434647	1479932	551113	558044	144436	157977	1752489	1728140	158248	158209	571030	576919	179641	193754	186956	199451	175696	25688	337599	332388	118577	119907	26561	23487	15711	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	105484	8034	116102	46398	46141	241555	235864	370539	46912	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	112639	276740	284240	257081	247065	17082	17259	243639	246683	253100	244628	1	171129	26218	23516	15764	19317	22512	21601	1	1	63990	64569	16838	15784	13743	1	54086	58063	36553	33185	14777	15096	50367	51704	73975	66020	12158	10814	23906	25774	22012	24731	83043	82457	23548	23770	321829	316867	93101	93727	114416	118158	55910	56325	178355	176547	41725	40016	1	1	324730	326361	99295	98621	53734	53131	116500	117037	334861	335688	276827	283959	56143	56491	221404	221907	31029	31837	37906	36375	97585	86748	176506	172263	78926	76669	27648	28224	170257	171932	43730	49143	54419	56722	171055	166563	29314	26012	196322	175670	117749	121019	106871	97001	216969	213509	134294	133367
235.9242@0.86922777	198079	198517	193527	202292	192711	188432	203960	208648	209733	208851	198323	188200	191487	197239	168516	161047	217059	209630	191575	194873	175054	185425	192534	195027	197545	200596	205070	201540	205675	211148	189028	183319	189341	192999	207566	195640	199467	192937	170456	161116	196525	202475	176389	192826	139854	134640	166536	173952	201358	198783	159460	166684	173947	171026	212189	225135	201777	205162	227667	239611	195693	190435	240421	238490	222898	226953	237498	227756	183207	189947	330017	309272	164207	162985	197080	179356	198359	189307	170093	188529	210470	209354	199019	210301	149352	165889	272027	273357	230730	232726	233600	237582	128475	130648	252745	248262	224692	220390	176583	177170	200741	196366	175225	186529	188811	181121	172943	162272	168385	161716	194811	179931	176425	189234	83545	85800	96479	98209	82313	80948	83206	87888	119830	114767	92589	89432	81275	82206	69385	73185	90198	90971	67300	65250	77167	68182	89887	83278	75525	71651	84155	93858	87104	80668	96879	96853	92052	88430	107023	107599	91410	87193	88144	95328	53239	53010	101179	102521	62716	63925	68708	69401	81010	84066	48498	50959	87256	87721	94488	93163	131624	127384	72387	70462	110818	111831	82330	83306	101980	100611	86170	86347	106373	107806	60042	61018	48755	52690	101734	99808	52374	56798	69821	68353	93104	94042	65202	70181	92467	94239	72788	68017	79557	79612	73799	71508	46520	49302	62707	62947
213.8938@0.877468	143800	135456	134735	143319	169402	165081	136488	133684	136964	127385	162577	158929	153333	146361	149537	158267	142679	134937	150044	148081	187687	176661	132906	130713	157707	161744	179315	177391	147711	151182	232798	229405	212208	208836	226643	215950	224963	222557	213686	212446	210449	201050	245589	247032	277763	282023	237469	262228	278143	297140	176336	163764	231472	222286	250758	255701	193689	190156	155234	154668	138074	140707	95740	93473	156231	162296	156452	159587	168903	169178	78019	81923	159912	161071	189449	187267	142702	117390	106769	107507	74687	72121	99119	102832	145852	160769	48743	44246	69520	72634	72792	84800	100659	110228	83528	90332	102670	104718	195596	183784	117728	111200	172722	174045	173772	163725	214567	207138	167489	168293	176718	179561	199715	167425	186781	174959	169320	173574	114549	113198	165344	162872	202029	206262	177589	176352	177764	179442	199206	192377	174767	180433	191492	195502	195011	202461	180808	182009	187898	187531	164483	169224	190541	200853	177118	174148	186975	187403	186312	183437	164321	166083	197589	192620	137455	140057	218226	210363	105086	106713	192915	191458	205966	208802	131621	134949	148901	144236	139030	133341	162835	160458	119675	124349	136194	137006	172130	171806	179717	175457	130539	129404	178525	181100	106971	108062	108489	110131	142789	143627	112807	112027	111669	112783	173382	169161	113875	110670	171180	172458	103529	105002	219529	228483	125836	129501	91713	93285	134546	126329
<none> nullnullnull 0.95128244	33273	30252	27155	29466	43586	40659	23723	7381	27897	18614	44209	42018	27223	32192	22542	35469	40495	20997	1	36542	19394	40812	29460	23426	39504	8816	39434	45695	28338	30721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54039	30580	53921	75602	68993	66379	63635	65563	69484	69626	63202	69359	39644	34217	49576	48606	75442	14392	75492	28247	1	68973	29735	34617	51648	53719	60420	65621	1	35983	32915	47606	34573	36977	79565	43808	31400	48010	35177	68962	68387	70483	1	31757	29941	40330	65795	91360	91933	7427	28812	60234	66279	86225	84167	64111	1925517	2008422	2159635	2172964	1756807	1717099	2145008	2177793	2159280	2146786	2187765	2193445	2090468	2147038	2102108	2170651	2194696	2261031	2183406	2079111	2138022	2100082	2290875	2201885	2146604	2211698	2233042	2267603	2241138	2201611	2349593	2293008	2194097	2212837	2367472	2316295	2249287	2287124	2278484	2252197	1626560	1544762	2180223	2111344	1815530	1769324	1968442	2071659	2152338	2249687	1183736	1194639	1253597	1208575	1147401	1168126	1565764	1627196	1199801	1210346	1284970	1305084	1685588	1696164	1463792	1480231	1	1409638	1461830	1443569	1362381	1411131	1414722	1423210	1465876	1513214	1351676	1352251	1518790	1541377	1477330	1499338	1432425	1344478	1538804	1549059	1477762	1405922	2030452	2028575	1496994	1466378	1368291	1389119	1408263	1448356
Methylmalonic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36083	35329	90136	85695	20119	23952	25197	23850	24419	22661	142386	142410	1	1	22516	24771	16544	18483	19920	18009	80387	76146	33670	34729	18228	17383	77793	83584	51931	43662	111424	112853	1	22449	142051	142084	59188	57180	27855	28833	73012	70632	26455	24666	61826	67767	19893	18980	15383	15392	14493	12857	36552	42140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.167@9.417225	55113	30743	40259	78964	47227	37915	66456	21126	55190	67883	42684	41989	35470	45196	40532	68752	91405	48956	52716	20822	24822	45561	32041	43478	25687	34019	22498	51117	47057	39742	28291	30923	24060	28206	33576	46637	39002	33118	27335	24241	24716	20292	35849	41110	45661	35041	40755	26372	19707	53692	95390	37364	42082	56749	45736	35069	56655	86236	1	38179	39757	45018	43162	35844	34380	32826	33294	32383	38450	37964	40406	41752	30337	1	1	23255	1	1	19023	1	26442	20413	1	1	1	16191	1	1	1	1	1	1	1	1	19594	1	18066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	336403	28156	21402	24706	17330	14353	12949	13465	44742	51428	17171	21996	41958	38530	18595	43404	31711	47235	21259	36051	15213	47822	52676	16539	19689	50570	39761	45760	64185	58700	11993	40406	23261	38105	21246	31589	49134	20198	46454	29080	16913	60507	41443	43700	29952	16492	40931	43230	55478	37882	47041	22319	32163	26831	19365	23365	41697	22553	16152	42827	54162	23902	59881	35865	14057	48512	28301	45577	22530	26216	31191	30891	40697	37792	84629	71011	26457	32449	36867	36614	33126	89106	111210	100255	68351	77030	90952	65698	37176	34699	69439	31416	34322	36914	45633	43870	130719	20008
685.0109@0.8910003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9427	1	1	1	51458	44961	1	1	1	1	1	6260	73090	79177	7161	1	9391	7907	7977	1	1	1	42069	44344	23845	26284	1	1	134342	138610	81400	85484	60359	64474	1	13199	91919	82854	45941	46351	8679	8368	38404	35684	1	10767	1	12299	1	1	1	1	9603	1	1	12717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.8752@0.8795511	110284	95616	86900	122633	134751	123464	157498	94481	174402	141275	175705	138650	134461	101347	60381	48506	109280	103590	98150	93355	121859	121843	73055	49527	124183	141891	124211	93904	69461	83950	186775	179763	224691	226126	234342	217349	230239	221050	143856	158289	219305	215189	164315	173926	91805	91323	142780	137531	188860	204207	102056	105721	145195	137538	265230	263854	204930	210213	128380	138767	92269	89976	91588	78378	136321	140365	150833	145888	107182	107240	66033	71502	113052	105983	152077	161288	140359	96021	52693	57566	23392	25183	59607	54236	83564	83846	49435	46665	40523	44212	55964	46478	43860	55150	59311	58661	63174	55115	118735	129442	69579	70050	105595	102744	103573	102633	146362	148656	72646	76609	115195	113657	121382	116701	133510	138742	171671	175206	186658	191159	186764	176964	204092	190962	179694	175887	139103	151724	119016	116921	168643	156314	112731	115477	117525	127098	181792	174482	124657	135060	185107	183956	144781	140400	202379	188991	159319	162682	212693	199347	185461	189544	164719	182621	94753	100718	161995	176023	176800	175027	126302	128281	128842	132404	86855	86580	140655	140621	127582	134822	194387	187099	116252	118598	176639	192521	118619	119126	139070	130597	152895	146955	150008	154970	114958	108157	107577	111201	166035	173504	99690	97792	159148	163914	129870	135349	139276	135732	138831	137255	120076	121563	91675	92110	126319	131524	82723	86518	102092	105647
513.8871@0.8437325	94711	94041	90111	94452	132969	130815	83864	79409	99518	93384	124146	120911	119048	116938	101053	98960	88584	89306	102605	99146	126315	129024	71122	66385	110417	115202	106704	107344	80145	79396	206236	205732	202363	208325	204871	207455	213386	201890	199125	196391	202931	207844	199208	212030	218359	225764	205236	217651	230392	238182	162964	155196	216321	218973	245801	249165	212052	215977	149497	145803	135695	130860	80738	74581	168617	164026	173044	167258	161120	144971	60625	54491	130184	126957	183274	178777	161561	141977	104532	109296	56874	61752	80926	80954	147081	142467	44535	40865	54527	51150	53863	56227	73973	69526	65598	61158	83290	84950	187355	184975	93489	93798	147589	149111	156789	147767	200446	201709	138728	138927	167427	163773	162457	155738	90405	93423	114614	105060	94092	90767	101360	104943	101477	105077	92896	101587	99496	102934	83654	90833	108551	113927	87910	91705	94027	95910	103369	109459	98997	99918	103306	104349	96361	90557	115749	110815	100568	103270	110784	117863	112518	108729	105392	107880	74752	75912	100356	104952	88142	83677	83311	91174	96046	102819	61094	58975	66263	63386	66152	57513	85520	90514	49390	50768	66584	63570	75423	80705	71915	70217	66946	66915	73473	71887	58698	58329	47224	47638	71344	72513	51704	55413	59328	55982	68461	74084	54858	51926	73834	69687	62478	59230	90383	92590	61543	59972	53019	51521	58492	53450
4-Carboxy-2-oxo-3-hexenedioate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16551	17967	12036	13104	43208	40934	42610	42426	11316	10133	1	1	45367	40525	16156	13545	35118	33525	75762	84942	70149	76390	73301	65249	119881	123847	25344	26241	64327	59367	122897	122360	51184	53288	1	17020	93965	96272	135938	151272	87461	79000	171784	167233	49351	47810	51195	48174	28116	29388	50448	48625	21077	20972	27820	35300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14787	15293	1	10165	41089	37630	1	1	18246	16093	1	1	1	1	1	1	43760	47526	24949	24749	8867	9583	40372	40857	21782	21507	1	1	22925	19717	1	1	26641	26932	13088	16367	26818	28690	32975	34283	31005	34591
C22 H23 N10 O15 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53097	60043	104908	100317	51791	99368	113694	56604	113458	59425	80001	53898	68816	100297	19795	47796	58688	33608	35930	39564	32573	36324	1	30751	28634	37590	28702	34167	19393	51158	83121	44344	38696	48728	51924	33184	39545	52844	25203	25197	35200	23827	42851	35085	56200	35814	26269	28666	21740	45113	69376	33478	20332	54549	1	23393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Antimycin A (A1 Shown)	21634	22496	23434	23316	24382	20534	22143	21538	21817	21083	23145	20434	19921	22444	19404	19468	18009	20356	21156	17973	21919	23156	24640	24539	26976	29329	27444	26247	24631	27354	23743	24464	25022	25437	30635	31904	28141	26072	26503	27093	24559	25427	25971	26415	26487	25184	26701	26491	26063	26876	30686	30246	26762	25292	27272	23729	25096	28343	24451	24207	22173	22297	22313	22261	23856	22548	24894	23348	22933	21356	21013	21774	48994	44345	46693	41817	41038	44982	41005	41817	39037	40437	41540	40186	38549	45270	39202	42894	42657	40456	40649	43387	37348	44122	43851	42253	45115	43721	45598	39070	43810	38275	44351	41463	42682	43107	39787	40474	42149	45480	42892	42930	204123	46370	19124	19515	18274	19575	20098	19915	19529	19754	22254	21353	19549	22072	20587	21025	20375	21621	22535	21865	20920	18919	21584	19333	20704	18590	18590	21052	20678	20335	19385	19675	20383	22017	18803	21419	20800	20771	20435	21035	20412	18934	18837	17936	20936	19815	18876	21025	22532	21385	18739	22661	83400	87653	84651	86904	84794	78610	77654	84624	78834	79731	83063	82490	85216	79264	65715	60619	61847	59402	60347	59570	58367	59022	57338	57650	59250	58001	59232	54913	57500	55807	59809	57421	54281	54095	56976	59374	58274	55029	56200	60461	58412	62228	58222	58365	59985	56188
175.0324@0.9335416	121147	116319	120874	118948	148475	138329	104123	103407	164803	164334	157682	161690	146222	140848	80452	78248	171037	153334	131644	125947	126610	129260	74762	73830	147182	172930	115042	110545	85235	89376	224873	210094	225863	228876	225959	220294	232045	215657	162324	157950	227711	229300	167004	183777	124351	122674	140943	147294	188909	211499	149253	146315	184188	172524	257754	255322	270328	269168	103293	105801	84766	85099	100095	94050	102924	98972	110271	111686	85031	86229	89722	98964	81840	70526	124734	126852	122708	128707	85708	100284	40469	36349	88499	86154	85259	85163	74950	71020	74644	66815	82700	86517	67681	67208	104100	97457	110253	116359	116111	115699	105075	99368	95993	105360	120974	118888	138086	136406	76369	74741	115790	118869	135577	141305	105943	114152	133065	126246	139877	134710	146477	135209	112349	120004	117555	112046	115908	115898	90879	89282	132391	128237	85906	85691	107506	96974	140153	138376	112579	112766	141855	141249	101338	99879	145049	150909	111488	111194	149677	151011	142343	139501	124025	121344	64895	67538	106128	106309	149407	148195	90659	92613	101724	101555	65106	68718	77387	75571	68340	70639	107783	103757	78304	74700	87644	87140	73443	70683	78035	77359	92819	93589	85905	83666	86147	86973	95441	97967	100114	96707	72225	65720	124862	125820	79657	84112	105718	107108	91622	82391	89652	86586	67694	65021	81652	84472	62601	59516	72886	73094
273.1003@8.915099	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11078	1	1	1	1	1	1	23238	20825	1	1	1	1	1	1	16849	15296	149835	77991	46190	39096	1	1	16335	17602	26178	26826	18819	17260	13049	15292	49508	36951	41174	48709	1	1	66237	52719	15750	18439	39660	21120	1	1	18706	18966	12221	9973	32609	26736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12010	1	1	1	1	1	1	10804	13422	1	1	1	1	1	1	1	1	1	1	20328	17842	1	1	15332	18023	1	1	1	1	1	1	1	1	1	1	1	1	10643	13335	1	1	13251	11242	1	1	1	1	1	1	10585	10892	14550	10188	1	1	1	1	1	1	1	1	1	20196	1	1	22297	10290	1	1	1	1	1	1	10636	10155
697.6931@0.87541354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107905	117799	85824	79488	92317	85598	113779	116507	118439	117836	78901	92142	94250	84503	73914	75588	156423	158251	160516	133542	91770	88946	59453	55148	82046	88737	95888	87557	75301	70562	72799	71901	85680	78485	45525	46997	83454	78841	91043	92042	135960	137726	98333	103269	110032	111365	125771	121988	174525	174806	87775	95754	141653	135767	163129	154512	11574	15039	11802	14110	15060	12448	18110	15904	9695	9132	13511	20287	14769	15521	16697	15424	18258	11623	17401	17511	12790	18104	17211	16764	15744	14840	20561	21121	13535	13778	19046	13933	12033	14720	1	10642	18564	16551	11857	13369	14461	9663	11704	9267	21595	15237	13464	14069	1	9347	1	1	7344	1	1	1	1	7150	13184	12299	1	7997	9811	1	1	1	9199	1	1	1	12286	10369	16389	13757	1	1	9271	8273	18552	17798	1	1	9148	10454	1	1	12135	11024	8127	9251	14790	10724	9098	12153	10172	7582
380.0939@1.427	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14330	1	1	1	35408	27022	1	1	1	1	1	1	154995	147813	1	1	1	1	1	10459	16507	14935	50602	50808	23219	29910	1	1	26107	32517	63581	60480	81686	83695	1	1	19159	20214	74877	65484	1	1	10952	19000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.9356@1.0993806	53557	95411	114452	71572	7879	7687	16266	151306	40462	63836	147083	13979	50998	85415	42023	70776	50225	162150	131005	45131	155652	1	24414	150815	125156	1	1	145808	157279	152926	142656	193885	182192	157394	145929	177269	24233	12241	112124	23087	137033	29059	200975	157418	181676	214183	22040	122923	144002	195465	17105	223143	14659	20552	155710	165721	128917	145090	20407	87228	58315	95527	194612	217753	119208	135964	55138	77124	140303	19354	152421	189892	63724	11613	75127	126249	101653	79143	67800	83899	89800	211375	188849	83182	94502	108622	124210	122343	177691	175322	74076	188532	571762	314902	155210	213028	199563	205524	62730	97439	104549	110386	85097	97456	5556	90930	133499	11019	110400	117856	78152	109130	1	25313	263688	266640	259442	275818	275487	278932	173091	78390	184852	269707	267000	263511	273656	193902	257730	164997	259022	176128	176478	102732	160832	195716	169671	257169	164677	258478	182074	245852	261563	270170	181272	258952	274112	261966	277711	274884	258264	254045	286526	213902	275812	268210	199397	277518	276879	272041	270662	254352	277507	282945	308623	195126	296660	193799	1	1	592444	241766	218740	302105	309986	315882	313338	306837	1	259700	278911	281465	300438	139044	66854	268566	1	1	302911	120905	293735	285702	294259	304953	262821	1	243563	89303	316300	209544	289285	318330	330950	444772	316445	171754	195680	313348	334530	242358
<none> nullnullnull 0.87400025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78214	80079	90681	94281	120846	123233	74586	74908	83387	81274	77679	81019	144676	144036	67556	62810	77044	76009	77499	72362	93231	93164	151244	154335	135480	133501	84704	82663	148397	150765	143048	151835	153157	149461	117630	111357	147210	132388	127728	128768	84122	77671	126100	122159	88771	92392	98501	94506	65494	66949	93188	96933	89112	83845	105555	107609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.8682@0.8590356	68743	68196	74190	69879	48301	50808	71539	67173	75192	68475	52323	51024	64228	61823	58384	51177	72982	75152	62352	64915	53195	47993	67709	68168	56987	65378	66276	59649	69110	74084	19088	20868	20373	30749	23766	16270	20831	16369	20320	22813	22261	25451	13822	16137	12098	12771	13540	19240	12652	8880	7179	9794	26545	25323	12942	14221	36066	33478	84100	87134	82485	82640	111664	109464	94165	78014	78027	84978	61663	71786	132296	137751	55442	48181	64998	76720	82590	76176	79393	91314	104988	102885	97284	107306	58751	60004	113393	98286	94236	91750	93681	100030	55768	59761	104472	110534	95947	108965	69208	80523	92403	93806	83683	89958	84624	87291	64057	66058	70990	74349	73654	73004	88524	91374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
309.9225@0.8526189	92830	87049	91842	90215	107170	107330	82458	82533	94613	95151	108038	102600	99645	104715	92339	88801	92437	86699	99011	96826	105874	101171	75154	74867	99411	108857	95604	96644	83394	78261	150938	137753	152798	145638	144144	151270	152745	151837	145275	150072	145613	144638	147790	152810	145868	138765	142277	143295	141320	148203	118826	112784	148735	146189	160231	161172	162255	156506	145874	142246	146492	150894	89680	92875	181912	170003	172288	170107	148521	146244	52229	48476	109149	110133	146378	153063	166208	185399	141694	140858	70669	71850	93463	95927	151018	141803	33493	32875	49775	46006	51972	51796	93799	84956	60882	56970	71125	81514	146437	141998	87715	84360	122219	124399	126574	127792	156287	153987	119211	117648	135135	134559	155015	141928	133383	139239	148698	158096	126300	124756	147539	146963	146454	151695	140131	140051	144493	149022	145130	137377	155140	147278	140622	143939	146453	149651	153645	155412	146726	149216	156306	157545	143966	148937	164386	165704	149527	156146	171404	167018	151478	161176	157277	161933	123964	113089	154181	155305	128673	129130	138056	143421	155974	160637	87430	92145	99432	99631	87183	94955	130563	133320	90498	90103	100692	105889	132779	128978	111424	114305	108465	105803	107847	106287	101463	103610	90665	88292	114180	114744	101246	99266	100217	107319	107988	107882	93904	92955	109690	112726	110705	106420	153517	154603	104907	105595	98754	97841	100009	100993
Penicilloic G acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120120	121616	117901	117665	126517	118964	115054	114442	124143	122983	118505	114404	122517	117038	89259	81568	97316	96409	100077	105865	108958	111448	106410	102654	105963	106779	103028	101254	81418	85997	93341	88767	98881	97456	97904	99837	109759	106295	105643	114271	93812	93200	102761	103413	109607	109001	108861	108276	84755	86076	94778	105411	105497	107281	121339	119315	14201	13284	12909	15024	20163	18400	25225	25630	1	1	26870	23328	18751	19090	26298	26378	15692	17713	26697	27488	20706	21446	20945	18250	21136	22859	30305	29293	21796	20394	15014	14182	14036	14680	7843	7498	24129	24115	10043	9778	21290	19350	1	6468	29490	29757	30350	30365	9474	9028	1	1	1	1	1	1	1	1	14853	15980	1	1	6861	9198	1	1	1	6402	1	1	9060	9614	26558	29511	1	1	8800	11024	19875	15841	1	1	13226	13447	1	1	7779	9165	1	1	6922	6601	8627	8957	12983	12894
C32 H41 N2 O13	92606	87043	35134	47376	41673	38526	35890	26871	63880	47939	43268	47740	117421	65736	114480	82175	182505	59304	90306	57178	69643	91834	37991	37272	84595	56985	54844	46064	39498	33130	1	1	1	1	1	1	1	1	10092	6741	1	1	1	1	1	1	7797	1	1	1	1	1	8592	1	1	1	1	1	1	8944	17015	13110	27078	16544	7038	7903	11894	8452	8841	6490	19271	12578	1	1	7991	7510	7950	1	20231	17526	151389	60505	31918	20575	11913	9937	12785	11174	22214	21944	31795	26359	1	1	35411	18418	35143	20812	13964	13617	34182	23177	15207	14642	43809	14029	1	1	19794	14904	14393	14275	18288	13813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10071	9554	1	1	1	1	1	1	1	1	19762	21618	18550	14926	1	1	1	1	17097	13499	55680	39041	1	1	12048	13397	26140	22543	12842	12584	22730	18192	1	1	14440	14502	16322	16882	12401	10802	13786	14093	18186	13085	15302	16410	57863	15051	1	1	28529	20902	58942	83356	18900	16951
C18 H6 N O20 S2	90156	96756	89868	87318	91708	94251	89995	91861	92070	92946	92907	86182	92131	89192	93924	87670	90861	85162	95587	91538	89460	91133	93137	92821	103579	108841	99699	99480	95182	94437	53158	52790	54902	57172	55435	55526	55213	51306	63711	61672	58600	55312	53677	50809	53568	50406	60163	59105	43115	44582	61361	58782	71443	69657	42205	42103	70275	71214	50917	48590	54637	50496	44018	45021	52808	54904	54216	53332	46941	49611	26786	24065	102578	99938	87020	82296	59113	20291	18304	21851	19791	22147	33677	36116	43872	49387	19947	22086	34289	36709	39544	42114	44752	86062	54392	49353	68108	68545	95549	96054	77105	74634	89549	94080	88974	93738	75954	75559	92138	89650	89936	90604	152349	96415	39483	37252	35172	35187	48047	47860	38573	36770	28949	29034	40742	40313	35563	39431	42482	40610	37728	35724	41815	42606	39087	38998	39051	35865	39934	43659	41890	41613	39666	41268	32742	33194	37390	35478	26795	31234	39135	41267	33926	32297	48919	52143	28977	30318	58671	56615	40968	38264	28865	29706	62656	60539	56730	54574	60360	59502	37899	41269	76463	73632	64429	63511	54059	55160	60702	59623	66635	67121	50140	50032	85719	84284	86848	85171	67079	65245	85333	85085	86531	83393	57448	55765	86990	83669	56078	55663	80139	84723	42110	42561	77044	81461	96565	95871	78601	79002
324.9118@0.8631057	83972	88608	81463	83838	89810	84420	79815	78959	89014	85617	76683	83233	84735	83090	76678	72178	90105	83785	86595	90647	82743	76314	70535	75957	88414	85211	88889	87844	82583	80925	88904	86701	99090	98599	93215	95581	96880	91849	83207	87252	109252	103060	80988	82003	88059	85657	87027	86465	77981	77326	61281	64990	96650	89467	69820	75701	109876	109891	168378	160812	164689	159811	194870	201496	147611	154293	156135	147658	127462	126898	206957	210800	127138	126018	130983	141492	144271	126268	157451	155526	177431	181315	197727	187496	124875	122446	169649	161371	183480	180572	187584	172618	149580	137681	219907	216501	219788	212024	162078	154888	218304	218812	184430	197907	181142	186394	116236	118385	185922	188266	182073	166436	213814	189748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.0545@0.89299977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5872	7469	6733	6762	57925	52619	1	1	1	1	1	1	71436	75866	1	1	1	1	1	1	1	6107	43497	50507	25722	28632	1	1	127801	130583	88630	94069	60996	65107	10125	12440	96553	88693	49365	47888	1	1	36525	35003	9696	12152	7919	8458	1	1	6432	7102	1	1	9461	8164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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754.3919@11.8661175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13046	1	8156	1	1	1	11994	1	14811	1	1	1	1	1	1	1	37072	25096	129570	41850	13254	1	1	1	1	1	1	1	1	1	1	1	40114	1	38379	1	1	1	66645	17704	1	1	139337	10726	1	1	32795	10484	1	1	21165	1	1	1	1	9901	23099	26677	1	1	1	1	17738	13618	12153	15825	17233	29197	1	1	24885	20668	1	1	1	1	29203	19415	17076	19090	1	1	1	1	11416	12408	1	1	9601	11284	1	1	48563	58864	1	1	20749	29707	16162	20777	1	1	40793	49544	42911	32008	56794	25577	15855	8877	23486	1	199849	161603	18465	1	12273	1	34825	21959	13197	9201	22434	1	16856	1	17489	13668	17227	11510	9459	1	16682	19463	26345	1	13783	14137	167779	11991	1	1	40324	12043	91145	156084	22359	11430
797.2893@1.021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16007	16508	16791	15908	25015	24112	1	1	11374	11677	1	1	68702	69275	1	1	1	10330	1	1	18857	20289	25826	25615	45415	48108	13517	13184	145947	146245	118482	118906	46303	47534	1	9110	63476	65981	77074	76808	17939	16088	68936	63090	18080	22331	22485	22338	1	1	30066	31576	25875	26358	28007	37480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H41 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12539	12552	1	1	9610	6395	1	1	1	6910	1	1	16304	13348	7162	1	10208	9196	26825	23443	158319	55184	32583	23555	14869	15499	1	1	9968	10931	8267	8215	11184	11385	19803	13933	26888	18594	17086	16907	30917	23302	14782	15403	44184	19736	1	1	33327	31964	19189	19889	34314	27377	1	1	1	1	7090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6579	1	1	1	29085	28611	1	1	1	1	1	1	1	1	1	6944	1	1	1	1	1	1	17064	12247	26060	17460	8327	8194	1	1	1	1	1	1	19268	14637	13447	13440	11974	11886	9615	9132	6845	8004	7241	7005	17273	12730	1	1	35617	10366	1	1	11186	7774	8066	15327	14460	13924
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C6 H2 N4 O3 S	33362	34036	29267	32978	27906	30721	23964	25316	38947	38960	28334	32616	40833	29568	23864	12865	53132	37484	30120	23493	25814	29332	13024	11678	26325	26296	21824	17983	13931	11092	83115	82826	79211	84013	84104	80985	87481	87589	45753	46630	63507	68005	70003	74604	28285	29247	39880	43330	97695	94342	61586	57015	52993	50631	118055	124298	89154	92234	59696	59824	42093	41650	50015	47915	52800	47772	61267	57493	46476	44909	50989	55943	47701	44570	86860	84008	83212	70834	30627	36561	15365	13265	47688	47315	46436	54190	58175	58361	43582	52653	61511	61182	21863	42990	71531	74630	63513	63469	79929	81766	74209	73184	66413	73542	84392	87674	106464	112197	60297	63429	82939	81047	84063	88860	78216	79956	98870	98911	93417	96353	108182	109273	99993	101655	40321	92253	79395	78818	58232	65857	88664	92585	63337	59929	68946	67220	105359	101749	81672	76876	99852	98984	76063	65022	108394	107077	79023	74034	110589	110791	90331	97307	85789	92074	29126	27390	87452	96236	88156	86739	50250	64991	71007	70209	24002	24024	28773	28843	33430	29097	52640	53426	31973	33070	39933	35363	29599	30753	26159	30295	28262	28593	26571	27906	24409	22140	36101	33780	31948	31905	20122	18212	46967	48605	26835	25774	31168	29758	27317	29416	45975	34287	40172	40526	25723	25661	22181	25183	24534	23210
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448.283@12.371998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87283	1	1	1	1	1	1	1	132220	1	1	1	1	1	1	1	15891	1	128638	74157	20089	1	1	1	1	1	6834	12006	20991	9958	1	1	39665	8973	44291	10707	1	1	143463	29939	1	1	26544	1	1	1	26279	1	1	1	14895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.8754@0.8472666	76384	75431	73189	70848	105194	113688	68874	62537	81391	77579	107406	100950	93243	93147	84012	80559	71572	70782	80041	80280	107766	106586	56272	58337	94161	91700	87072	91380	64737	69188	191795	187071	186771	194805	209209	198170	202535	206972	191801	192317	197916	193944	196533	207906	187247	183973	187829	185172	202847	202077	165965	159465	192509	186881	218362	221465	190085	196172	70281	67609	75906	76627	27870	27004	105336	101872	96435	100390	99095	98203	18121	18090	92046	87636	120810	124297	103396	83357	47168	51139	17451	15311	28063	28832	87909	92367	18743	16646	16058	21971	22966	20870	43780	46973	20888	24494	37139	33238	118498	106589	39261	40822	80168	75635	80906	78558	137043	132648	86456	85795	98658	86628	106827	90102	149671	144581	156732	154624	130206	130806	148871	149831	167674	171131	147801	154131	154620	152037	144706	150883	156000	156715	138408	142855	142994	146825	154968	151426	145446	151065	148962	154452	151707	152009	168172	163345	157762	161183	177211	174065	155277	159583	169371	161048	117980	123015	176707	175609	121603	122525	154915	149109	171847	170982	122249	119201	128447	135100	111578	112987	181366	181565	94532	93721	129353	127148	150656	155219	135357	138157	124353	122579	149379	155005	110699	108767	80348	75995	139988	135215	103304	96291	98861	95432	138495	144923	94673	94322	137414	139460	114983	109481	190372	187303	108310	111920	96301	96726	106679	104285
445.895@0.85971576	79409	79439	73968	71670	81332	79647	72615	74866	80227	81883	75234	75585	86927	79423	75223	76663	77050	77725	78368	75161	79684	71354	66019	71832	82297	81708	81874	75747	72862	75736	93166	88123	100173	99738	94503	88049	87455	92879	91122	98239	110226	101170	87841	91997	86398	87235	86191	94991	80605	84075	71870	69840	97889	97809	91807	93104	116400	123395	163780	171332	174878	179386	238440	226344	171322	164468	170730	165923	130358	130480	208714	211868	120176	117058	151062	142806	172486	149129	150783	159963	212618	210995	197664	199122	121052	118078	210197	200497	199847	212765	189679	192680	124931	134751	224393	225470	218366	217998	168277	156132	210849	206287	178970	192866	186415	178912	124310	118184	170146	176842	186226	183018	216541	207185	103409	102703	110176	107446	106110	106081	112661	113948	92421	92958	107181	110766	115266	116776	114732	111496	111800	112614	111076	111178	110029	104951	113111	114101	104940	112749	113017	119842	109452	109160	113234	112228	109567	109417	105461	102131	117955	118283	104022	105384	95753	94105	95877	102503	117537	120663	112327	112395	97233	104672	57463	58030	60478	58483	54272	55430	76015	76374	60666	59654	58941	58926	81519	80677	56852	56514	57276	63774	60159	61909	71399	64570	74458	69981	55471	56240	64474	63850	75069	70401	58543	62584	69713	66103	56048	60072	75282	72555	82303	83223	69193	67873	69288	66762	71323	69436
58.9826@8.700996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40424	54514	47982	29964	50136	56146	48489	39834	49053	46683	53853	37460	51758	43778	29166	38355	42271	36583	36115	34642	38318	35740	47100	46680	45399	39543	27222	30746	33087	36130	35401	50154	34901	38217	1	40313	33966	47277	47287	37653	27506	29446	26591	42133	34716	24121	20592	33156	43745	34693	22209	29604	31076	33495	144225	42553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
333.986@9.546274	14816	14523	17323	15906	15092	15162	14010	13912	14412	14869	13387	14887	16391	16461	16231	15974	17307	14742	13862	14073	14608	13648	12455	12819	13486	13239	13477	14406	12971	11194	12246	14134	13356	13373	11862	13596	11971	12362	16504	15125	13214	14788	13177	12398	12848	13910	13002	14147	13784	11798	101113	76617	54373	38716	32637	23923	24218	20842	12847	13268	13691	14187	14246	13492	13611	12595	12823	13398	12145	15508	13714	13002	21162	18203	19360	17165	16400	14824	14895	14499	13162	12731	15560	14411	13602	15544	14943	14259	15294	14121	14289	12865	18252	25916	26764	20365	19839	16069	16759	13395	14339	14512	11104	12456	10182	11292	11988	9792	10427	11427	9252	10736	282027	1	8837	8869	10055	10575	8018	9594	9694	8500	9278	9132	9238	8734	9884	8453	1	9467	9963	8192	7235	9930	9306	8455	10627	8742	9129	9977	10104	9445	8010	8331	8965	9657	10968	8317	9060	8490	9236	10554	9465	9362	9469	8850	8917	8313	9634	8202	8269	8437	7846	10230	9436	10349	10857	7612	9171	9108	9863	9232	9307	8913	8111	10219	8118	9632	11871	11095	9516	8868	9515	11430	9150	9420	9052	9895	10306	9589	8137	8066	9316	9098	8479	8408	7232	9211	8394	7210	8469	9056	1	8763	8425	7967	7618	8248	8004	7912
2-Aminoacrylic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	546699	548668	549655	552476	1407739	1381948	354535	350445	355873	342045	321547	303839	870270	882158	409989	391454	386029	379213	324088	289118	570377	592630	981620	993524	748416	774583	398840	408488	2189287	2172262	1491760	1548584	1250212	1288342	399458	450426	1291550	1312434	1081918	1084336	624414	597024	1068110	1053755	546368	558142	674668	656826	290502	283267	723026	726324	548061	517831	997968	651411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Methylsuberic acid	35179	37958	45369	44816	42625	40469	50513	48246	58172	55627	51879	47462	47720	49338	40171	40668	39126	47438	40920	43430	57684	61127	53315	55128	53014	57159	48750	50521	48338	52646	52863	50534	44756	45041	52750	58004	52455	49921	55178	48489	56735	50246	57546	58704	58212	63008	40859	45041	87222	91780	49349	45116	67257	62338	46060	52608	71176	80950	69312	69679	74700	75394	72370	69138	68838	64272	68146	68091	63331	62783	70022	74332	33734	35274	26007	24308	18934	20792	20435	20639	27734	28706	28578	27852	17544	23995	29942	29912	24254	23270	19231	22408	23933	15460	26805	30232	26140	30456	29732	25563	31473	28706	17875	19354	23389	24367	23849	21489	22644	20870	24440	26234	66520	24846	44580	49055	35546	41608	69859	71286	42028	46876	46305	47909	62378	63750	49306	47816	55239	57582	47332	42918	58066	57116	68796	67125	70415	70777	79055	78681	55137	51785	75148	84733	63892	58932	44887	52111	57410	57624	49371	51868	53831	51314	63677	58276	56730	53916	69709	67056	65292	63871	69149	70639	35357	32267	34087	39131	41318	39366	41865	39247	38402	37997	38263	38394	33388	29661	54823	56048	58748	54984	54029	53602	64543	56841	64042	61090	49892	53638	56911	55744	54378	56233	58596	50622	59614	59606	50085	52126	60789	57408	65409	77058	62661	56121	59942	58180	55657	56708
825.8144@0.8389987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42005	46929	41810	50220	48836	46613	41793	43403	37965	45460	36735	36665	28639	28707	82780	82859	64259	57011	48641	14137	12824	15084	12479	19986	25555	38784	33902	35227	23866	26330	44637	50566	49300	49038	96366	103341	61844	59160	74754	69546	77689	72846	83059	86026	86725	86344	84319	82338	50566	48939	82203	81003	73251	72884	132009	88408	13361	9709	11188	13061	19677	19764	13875	16388	10994	11404	16993	15374	17085	15789	16861	17743	10526	15381	12311	18078	16029	15805	14881	15690	16336	17808	17050	17693	15971	14151	12096	14098	14644	10270	10758	12103	15444	15731	12327	13723	26029	25150	10208	11356	25810	27777	16184	15752	9761	11501	25533	23720	19590	20754	24670	25186	11775	13343	39143	41010	21871	23755	20059	21948	23521	22990	30710	32728	16077	16687	49071	50413	62293	58584	27975	25550	51615	53389	50566	52341	21715	20376	51887	49822	21204	22638	48435	45631	12972	13097	43156	44351	57972	62471	43650	44421
Sinomenine	90981	98557	75424	75362	56098	51085	72422	69860	71611	72502	70466	73712	79152	93129	83607	88178	65271	84282	65121	72828	51311	54415	80047	83296	55224	54177	51335	51972	60115	62313	8184	10570	14912	14788	1	1	10223	8169	7739	8655	15256	15921	1	1	1	1	12110	12387	1	1	1	1	12738	14688	1	1	21319	20765	18142	18832	33231	32811	19437	18886	17341	14875	8863	9602	22011	20334	41287	41298	31296	29599	22420	22153	16888	14950	60001	56417	71686	93512	123089	112055	37901	35012	43647	41636	52032	51930	42036	43463	25825	27669	71798	71001	107683	104788	44227	45042	82533	83385	50813	49684	73575	68763	17039	15887	59058	51701	49172	52830	67369	62937	30244	29573	25194	23793	49594	42777	39972	40137	9394	9701	41111	40805	20293	21782	26741	24478	13591	15580	40699	35305	44543	42217	41941	37588	25735	24501	18197	18739	27271	28205	40328	40691	19722	20505	10804	10161	35814	31163	18984	16353	76411	80092	13468	10863	57396	56599	23224	19132	15588	14052	1	1	11080	12308	20085	20814	1	1	49143	48424	8413	9816	51051	49279	1	1	9226	9891	1	7750	36079	38519	51967	50172	22390	25204	9773	9651	25990	24036	35775	31832	42299	39278	1	7477	20354	26450	1	1	12825	13093	9726	1	36529	38218
204.0994@4.2050014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21494	20661	1	1	1	1	1	1	1	1	16426	16019	16726	16798	16043	1	1	1	26911	31351	56473	48432	41346	41308	22223	27841	22370	21165	20639	21783	18641	16122	17009	19395	32151	32311	43280	49172	27367	24479	50941	46349	21906	26470	31599	31578	17863	18464	41444	45070	28945	28449	67561	40654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 N O2 S2	139519	136477	138107	141101	144530	141295	129269	124041	146760	153727	144928	142233	144373	143322	131685	128354	159739	138491	142775	129403	134151	131727	112499	116196	128082	138428	124967	128396	111375	112858	172865	175805	177426	180840	172660	175090	173721	170562	175830	170367	179369	177472	165759	168062	152217	153919	168335	169079	167907	145289	109343	120683	174112	174883	177284	174779	164602	202308	112119	110389	112080	121303	90942	89286	136594	129256	136759	148241	128223	121403	70191	65585	89493	87307	127659	121926	137991	171352	147068	148252	85004	81635	93233	88080	121807	122608	46167	43363	55901	56752	60742	55314	86689	72496	63258	62874	70674	70207	118595	116441	80957	79775	101262	101897	106306	105195	124831	130084	104856	104226	109719	113053	112022	120462	146572	136643	147507	156410	125397	135885	147546	154489	149902	156196	155443	147405	150433	154718	143695	146063	153013	154713	146590	146708	151017	148507	161448	159354	148895	147132	154344	159537	148605	147130	163884	169888	160144	152745	171440	174043	164743	167576	158715	162695	118369	123799	167300	171213	138617	134811	160123	156660	172794	166784	98409	94182	105982	107110	92182	98051	133141	134654	99225	99521	111872	109844	145721	138328	110054	111471	99959	101140	108795	103978	108301	105179	104336	96646	114779	113623	102028	95978	109521	106695	107428	107894	96782	98065	110156	110786	106012	104112	149747	136811	104233	104113	103083	105045	104296	98329
771.3952@10.808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26682	18934	1	1	1	1	1	1	1	1	176141	60956	50558	39658	1	1	16825	15578	24635	25618	26581	22708	1	1	46964	33154	55442	45836	1	1	40798	33223	1	1	27903	1	1	1	1	1	1	1	15334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.968@0.79445845	41191	48773	54041	47449	14120	63619	54818	38096	58374	55412	43283	52109	45827	53564	96589	31460	52225	43608	43831	47056	43806	42796	98850	96227	48753	55605	47725	48843	53402	52753	81886	80722	75097	85970	88582	82912	85686	81145	87421	90403	87934	61306	85536	80166	55708	88333	79485	84589	74277	88786	76795	39099	91199	56887	78556	78054	59866	60424	31135	35873	26756	27754	32454	27731	29928	30861	31274	34972	26397	25834	31463	33812	28957	28820	42769	42392	40528	38334	27950	30028	13160	16071	27073	30520	26938	28788	32629	32164	25508	26637	31007	33384	12473	22164	43724	44561	40679	42026	38223	38080	36770	38481	37155	33763	41220	36888	47496	51369	34067	30267	39953	41522	44743	44924	73981	74318	77597	82000	75455	77920	83430	86836	70555	70436	38539	70846	69671	70095	59609	60629	75229	73107	60335	59954	68547	63372	78772	80058	66850	76541	70382	74906	65036	61314	82660	77682	65528	70264	83842	87357	78303	79020	71139	72190	52035	48705	64009	67714	71723	74529	48705	60344	63097	63400	34367	37813	36949	38806	39749	55233	48873	45984	41116	38225	41082	43433	38125	35670	35743	38918	37986	54165	35865	33171	39403	37229	43285	43469	40726	38647	32785	34558	50498	47721	40428	38056	41610	38571	35441	41961	46210	45748	34415	37298	35257	38115	34210	34308	40839	36961
Threonate	293666	304914	403144	402535	343909	341879	449633	466376	487156	470635	329444	341928	397316	392838	430518	432363	281293	293212	367583	380365	245137	245442	428874	450328	269247	276394	285486	276069	297957	318349	349276	354669	349967	358790	332438	336662	380697	372013	593121	584705	441337	418950	333233	361787	388241	382378	530433	541603	164157	165489	176720	194287	504549	502204	240893	238846	486012	474872	302237	290058	469143	457641	651637	630976	377394	388228	333739	325959	302374	300968	773429	762180	316461	303699	320862	326967	271036	231667	271876	289120	546843	574712	477422	526495	287243	293632	699237	682235	624397	650373	864466	865372	437330	578635	816331	802223	849257	876422	412392	404198	776556	777842	567220	558911	623889	611539	292483	294014	423749	450439	286061	285657	667751	541936	151502	145133	107763	111008	81544	79451	111046	114748	76247	75087	111192	106194	143945	144807	167027	167564	106523	107532	226133	216451	197563	210787	88397	91720	121296	121235	94250	99821	147202	147731	70665	76796	128898	133622	104405	98052	128166	126654	136364	138756	210154	206159	97013	84210	121064	121042	160265	161582	100911	107004	96243	100291	149701	153292	184483	188043	57473	64508	201580	214656	124143	123966	255837	249397	128638	120547	104426	110685	64659	60459	234931	240566	198948	207064	159625	158027	272136	265296	135061	129580	160689	165244	163233	164055	90378	92742	197234	191716	83580	79128	179471	183449	236041	241942	203429	195511
845.6413@13.953167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253412	52389	1	1	1	1	1	1	94360	1	105755	37675	1	183510	336071	73365	211581	49751	46129	510191	227892	473987	177085	81465	432660	44792	53790	32570	96884	1	158859	307177	149501	35710	39706	26306	693630	43921	115086	65490	280403	76440	42921	18040	334939	320003	1	254698	330492	111893	162490	39341	26816	52687	241687	1	34774	210261	1	17090	1	240743	1	1	1	18026	19901	1	1	1	1	1	1	1	26502	1	1	1	1	73680	1	1	31258	1	32582	54803	1	1	21192	1	1	1	1	1	1	21046	85925	1	1	1	1	37273	33594	1	18232	186343	67163	1	95983	82346	285574	116914	54607	97223	35857	188949	519152	83406	35022	1	1	84830	97703	1	119648	38002	26335	1	46277	1	1	1	1	42037	1	56168	165583	1	140572	170199	39656	518922	1	54471	97152	1	59670	56643	126374	1	1
hexachlorophene	125950	130177	137466	121876	143598	142532	121010	115472	144745	140070	144743	137293	134491	136309	103371	108544	146985	149638	131054	117495	133858	136572	94909	104409	136423	138909	134194	133224	119862	107267	174683	172719	196501	194115	183723	185467	189291	189062	152923	150222	186933	182421	159117	162881	129842	131619	151820	143446	168304	183968	82981	89755	150870	148525	219473	211993	196492	198725	172374	179820	131309	140084	131160	126493	171925	176728	180639	179233	151192	152552	133927	125414	111043	108624	162321	162074	156947	177526	117684	125496	76991	76843	109141	110231	137515	136748	109950	112194	97629	98792	105343	110767	65096	69006	107105	110482	104329	108483	156199	153236	118245	115056	133600	140465	134754	141209	172177	169177	113863	102530	139340	142968	154993	152484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H9 N O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70756	71279	86228	85469	103429	121124	57376	62366	68706	69204	65017	66859	147214	149897	62554	59248	76490	72692	51431	52071	92402	97465	115760	114056	95062	97205	79358	78488	183323	190381	153081	159217	174583	155211	87223	75061	176283	172355	152255	145473	83827	82888	130803	125961	114251	96477	118518	114369	52584	53034	79509	96306	87108	82806	125536	92554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Carboxy-cis,cis-muconate nullnullnull 1.278999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	679428	656005	479135	486217	1290368	1198909	960469	961038	566190	584295	420870	414235	909596	904651	373179	357454	475544	482746	566607	609042	819026	882063	1001697	954708	1137522	1146763	627131	620672	1327149	1360228	1300615	1357600	891809	878032	248343	331153	1339330	1339521	1154919	1193434	751355	761220	1627313	1597603	581184	594139	581114	578550	576349	579420	515969	530012	408150	384172	668591	608727	177609	188146	237381	243706	234682	255087	253466	239893	199704	183628	234100	229517	250929	260966	318292	319534	225349	221842	262865	267432	202505	194120	176881	178545	219917	212341	219421	251300	199097	168228	117435	126039	276437	279945	385130	371304	287026	296411	339000	349554	321417	315965	229044	235988	367686	358553	251447	239402	368148	378633	459325	465174	405598	410827	389755	385953	253953	242206	611317	693471	373398	381368	628592	603544	359349	371865	506090	502036	377806	365641	705965	709187	533728	537184	444760	446009	1131815	1104234	663193	652213	429510	420749	573244	554547	404040	417918	628195	619072	295026	309890	603853	604976	866439	851095	685073	698920
Nicosulfuron	24334	26175	30064	30614	19233	19629	25044	27130	43510	42686	24340	25463	25677	24122	34965	34137	26071	30822	38431	35410	21986	19479	21569	21998	26282	26072	33346	33780	40837	33595	158748	155920	284641	276669	358394	355017	150125	149490	589168	599642	157089	156930	158797	162446	195045	189975	289144	298581	125915	127207	49956	51364	455245	455257	77884	84406	381148	381392	103389	106278	64254	63675	27545	29938	47150	46350	36431	34948	9719	9562	25132	26800	61453	62492	69910	67964	52018	56573	73588	69098	16167	16236	27299	29993	13669	12955	30032	37582	41268	43461	22733	18552	33258	31395	19663	19319	40677	38604	102395	103629	67651	67793	47625	46050	60192	53541	1	1	141879	142518	82313	78144	45524	44018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.903067	58189	61203	58396	51412	57553	65137	44862	41852	34697	33922	48259	47956	62250	57898	71427	74453	65312	62518	65398	64108	58785	62430	55960	52542	49440	48474	77772	82009	66194	56784	47884	67347	45430	48215	50333	53717	57442	56785	106474	110246	60755	62373	91563	84860	94616	103825	122980	117462	48004	52114	46433	48909	102608	100966	37546	30238	104486	98007	124483	121845	60523	55849	72718	70909	71026	69679	74672	71468	103191	105632	72967	66803	61199	66454	128626	125678	58932	74775	112986	106907	72508	65116	68942	66673	92448	94861	106667	99081	77811	80952	56036	52029	21780	33342	84709	84403	53027	52458	68884	79083	69640	69144	42919	40177	29643	35491	47675	50581	105373	111374	42762	40347	75303	81678	128324	126842	102470	94601	173409	177313	108203	111370	87591	88142	104565	103830	116791	113540	138433	135620	98899	106656	131561	135818	137325	129491	119996	120765	113328	115837	113907	106918	123202	124580	81152	81502	98751	97894	77608	72154	116551	114533	95653	100106	181291	191370	79103	80142	111863	102568	145682	154070	108928	102243	101477	103524	89482	88971	146832	138824	66923	57844	160911	153583	115906	109107	155446	163299	106544	89034	122867	115735	54089	63084	199949	189793	148567	147597	91349	92293	167887	152707	147849	141790	84620	107857	138461	135479	86715	92896	185211	199529	83900	108654	194384	171918	181464	191937	175334	165209
373.9088@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68970	11512	60582	57692	103503	104058	12163	11130	12824	57989	9951	8421	111081	107645	39164	33586	20228	20716	19773	17406	60385	56969	70606	81160	77354	83332	41563	10420	119643	119950	101315	100853	103448	104058	60121	59618	120774	118762	107436	104351	57866	15155	93819	82148	64721	9682	13759	64902	11106	21096	59533	61002	12380	13968	14150	83471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.8357@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94561	98890	95530	92170	98435	98792	116129	113416	117083	110597	98011	87839	98302	95371	61116	68417	113819	112645	115098	99943	91358	88260	88054	88151	92226	92903	85151	86023	90646	85425	80469	80125	95808	90110	64336	64033	90761	99571	98304	92929	108413	105678	93698	93620	99063	99594	101692	104703	118056	116291	85419	85793	104103	107658	120483	113755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H11 N3 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13485	15275	19364	19108	23577	20296	10508	7237	7911	6992	22765	24981	51656	50997	9188	6919	17777	19262	13904	12507	25352	25564	96393	94277	97490	92228	39347	38122	68300	64910	63633	69192	75509	68795	7518	19135	83731	85906	103453	102691	16562	20702	81966	89507	25693	27248	44898	43937	30175	29852	44984	46931	30834	30261	43698	46260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.2063@11.468473	55192	245375	410360	227061	122803	103379	120003	195470	227985	179016	203667	146391	78613	9905	18204	200112	422305	62779	38082	49002	207314	30699	208020	33112	220318	215172	205295	233186	220157	184778	176745	7684	111581	212792	100881	11713	241686	101174	61602	96318	184712	205300	222754	106444	209578	186629	150929	157370	115236	184181	240758	120516	22919	252433	150904	111454	234492	36483	42293	51065	37746	37814	38887	40755	41645	42666	38730	50444	42882	44016	38849	36419	44241	51164	34087	26798	1	28849	36080	25080	59668	23637	38433	22124	28088	21404	1	1	1	1	16504	19007	1	1	38078	1	27135	16475	26198	28414	17640	1	1	1	27699	13375	34330	25269	33440	29348	21826	15176	134541	24516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.072@1.1739999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8723	11968	1	1	1	1	8791	10687	56223	59191	1	1	1	1	1	1	1	1	55017	49856	8046	8676	1	1	113557	120612	61663	63110	46624	46640	1	1	70697	67940	12979	14422	1	1	27387	26305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Oxohept-3-enedioate nullnullnull 1.5400007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	160148	158854	109653	104597	520992	529379	149122	146521	124917	131558	24992	73803	292603	324412	56620	51445	83734	77020	72456	76618	118419	116610	290240	312397	304919	315775	71930	62151	725384	735460	449740	201400	314747	310477	1	57004	496246	489562	334756	342975	121073	114508	463067	473622	108920	94334	100947	97401	82046	80663	110616	117302	100175	97843	113039	137095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
449.0002@0.84136355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56065	58683	57521	57321	54512	50506	36474	31337	50827	53869	95420	90394	129863	44672	66514	65675	67597	64488	34925	21061	27400	27002	90303	96198	53017	104688	90150	97145	136343	137884	57398	56116	84235	82850	68328	91157	94698	91500	180158	174321	56518	56356	149107	155618	78558	79869	84968	92055	108197	113515	94787	91886	78414	80669	106661	94877	1	1	1	1	1	1	7521	6508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6714	8865	1	1	8618	7577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7621	1	1	1	1	7231	7066	1	1	1	1	1	1	9311	10754	1	1	1	1	1	1	7200	1	1	1	9816	9403	11321	9695	7591	7184	8849	9683	6857	6969	1	1	7730	8889	1	1	8319	8487	1	1	7105	6728	10761	8152	6558	8195
C18 H30 O3 S nullnullnull 11.252345	330093	320534	445803	504079	178392	253580	373712	395473	418895	472915	464996	451123	364953	389657	356982	363154	484056	209113	293055	507102	147524	274500	324552	375203	357069	460834	362580	355588	449913	455191	174944	387203	433189	422653	300066	462234	432761	317414	412287	526979	180714	444009	373498	434168	333186	442648	530597	207729	240385	291799	36805	201771	404275	458020	403428	375849	628849	445855	54337	51460	55863	46541	47077	48525	56718	50778	31864	49816	55342	50418	60881	59397	35825	44397	27316	29597	25129	23661	30624	27186	35583	26276	32447	25548	24684	24823	26228	24615	22649	27160	22879	23689	23215	25809	28479	28585	27168	34684	35692	30494	22768	29103	25008	25745	23597	17571	23514	30823	24755	27858	23105	33883	173819	29213	29082	19905	30672	23899	35428	29890	18383	23491	24766	25123	28323	20094	27553	28898	28776	27233	20997	20629	29884	22115	23814	27896	28778	24619	32412	34160	22046	24042	35218	33391	22512	29729	40717	23676	30343	21730	19602	21667	23850	20467	32527	27347	33209	38202	18134	37591	27161	36568	31922	34807	138018	71891	74248	248835	156552	140448	219992	202574	139424	162916	134892	170960	122506	122969	127941	180109	172903	181276	161381	122616	174184	248908	147308	276974	175268	153301	156157	179643	142167	172977	108870	163631	157747	143144	67031	143517	171747	182237	207511	150128	246386	221534	264153	172288	234812	126348
C21 H11 N4 O4 S	40187	37269	117895	121328	71681	74336	107593	115199	76319	84099	88704	89878	94000	93711	104961	99098	46392	42806	92180	88401	23183	21885	144677	153393	114385	123336	54086	60651	81302	73987	10162	11147	14914	14285	12125	13128	16019	15461	13137	14506	22107	22774	11537	12243	9218	12673	15839	17636	1	1	1	1	23517	23533	1	1	20290	20926	1	1	34298	35269	38966	36732	19317	18378	32280	29556	97828	95850	44627	43668	1	1	40522	41721	1	1	55351	56791	92116	87541	15726	15058	114420	118884	57262	56715	25040	27718	36375	39195	25865	38463	75378	78090	12593	12752	13072	15367	21088	18645	43986	46366	69595	74763	90011	93772	1	1	1	1	39774	58606	1	1	24959	25673	12066	13519	64154	62946	9246	8462	58155	58270	27437	29357	63304	63357	19744	19751	89791	87695	1	1	25839	27527	63099	62423	60544	58032	55847	47913	1	1	28313	28655	18012	18683	58286	57058	16538	16170	1	8147	22601	24651	48535	46775	76243	70987	13793	11836	16178	12557	1	1	1	1	1	1	1	1	1	1	1	1	8896	8126	6632	1	1	1	1	1	1	1	1	1	7499	5966	1	1	8393	6755	6282	1	8180	7925	1	1	1	1	1	1	1	1	1	1
182.0767@0.98300064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20518	18841	22465	25155	32818	36511	17286	18183	16517	18641	19257	18069	54999	55166	16736	12660	14967	16843	17789	16797	24240	27049	52930	46440	38061	45053	23686	24290	55200	55713	42527	55106	58499	61821	25064	22987	69251	64374	68518	61400	16010	16181	41289	38481	28746	31896	30288	29635	21993	18168	27726	31434	23726	21643	35475	31403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9417@3.4427457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18490	157583	77402	1	1	74821	10846	99383	18221	27333	1	24256	58708	12007	1	53600	55231	1	110561	1	98966	1	89007	365721	126558	14820	101951	215034	1	55262	129271	70872	72680	8092	57025	1	84901	135386	211835	202381	1	57734	119434	20490	97366	1	59311	121307	1	67893	85654	48450	160197	124716	41478	29150	129240	13246	1	49688	58927	96109	74034	34760	24628	39336	1	1	159728	1	1	130410	85988	54801	88298	102203	81836	110166	140909	244227	25960	25909	1	66619	1	42030	1	1	34193	23244	1	169128	46201	53324	1	22911	35396	53988	1	1	1	24354	37921	24343	1	23758	10980	38645	1	1	12319	44347	1	136968	146619	20898	1	1	94390	166347	28133	226240	15235	15735	1	29667	38279	30262	1	93392	30137	27793	1	30096	1	19719	23408	38414	31905	1	1	1	11056	1	24280	87345	9523	1	25610	1	67310
519.8436@0.8509994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	151107	156758	147606	152230	147334	147814	135802	135925	138430	135806	112293	109510	124695	125110	94573	92783	119018	110401	124421	112662	124213	141442	113246	112409	141829	148690	109683	108652	91574	94762	113278	113922	114714	114509	97489	93741	127843	125545	139773	132760	136444	133685	145038	138552	155093	148278	142459	151051	99995	96417	142626	140204	141971	135781	150520	152776	28236	49959	26828	34416	33867	35866	37771	33996	22362	26207	33245	32197	39088	28811	27012	32935	31085	27015	30198	36779	30682	40548	44755	40137	30189	26797	34494	38457	36288	44345	38788	30921	25925	33468	30604	26268	38714	44816	28269	40964	26332	27458	21759	29712	41971	35504	37404	41217	21007	26155	15108	17775	18347	14651	19321	44327	25202	26318	20069	30568	21309	15290	23200	20980	29915	18263	18273	18468	24464	16023	27266	35180	53171	37361	19651	21586	33632	26741	35712	30772	16645	17967	35836	27515	29851	14773	23620	32551	35184	16708	22422	53317	39304	34429	35051	32878
447.8825@0.8687367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	110283	113319	122254	121294	91204	91063	120870	128120	122446	124124	90787	90231	68992	70557	86315	80807	105328	101686	125815	106723	105406	112823	78448	74450	98778	96794	77442	83290	67253	69322	74193	79503	77195	71720	74297	73572	85167	84170	104996	100469	120595	123702	113823	91639	123337	121375	130772	125598	77582	78750	117196	130017	131631	130006	143286	136939	64692	63790	63356	60401	61669	62697	72777	75377	44689	44382	72788	65865	66847	67509	76205	69948	66229	60728	80082	74046	69156	67813	68844	72711	71265	76796	75207	77400	73487	71561	61297	57036	60775	62390	45002	49525	70469	72023	56609	55070	64570	62560	44843	46822	78135	76330	76597	78223	50560	45286	24070	24236	17925	20348	22212	25453	27546	23229	44608	42890	27507	24181	39365	41250	24785	24626	28592	27234	20003	18822	39419	41661	54238	56894	31403	29907	38104	41698	45205	48525	24794	23595	45364	47411	23747	21054	42988	43261	29363	30124	43576	40095	43451	45830	44119	45968
171.9097@0.8680518	87746	83904	87542	87186	62183	60962	88518	88250	77418	76989	68030	64868	75600	72951	71440	73442	80543	80568	74461	70603	57045	56485	90423	85907	65936	66428	72823	71807	89953	95269	19968	16081	17223	22183	13796	13622	17576	18922	20524	19491	19061	20313	17871	15454	17443	15979	22588	20053	9095	11257	11479	9316	21636	21635	10858	14036	21711	18981	64472	62052	57649	58498	81308	78025	47796	47620	46651	50753	45800	44138	110899	115302	47634	45106	41393	43146	44430	40698	62786	63424	102385	102474	91875	87403	49547	46658	113687	110595	98344	103162	102960	103685	62957	60287	99329	97312	88048	91416	48423	48765	84958	88305	63295	65799	60737	61717	33506	34317	59892	63288	55004	51621	68567	65653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Val Pro Lys	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66692	65003	22794	20685	33102	31942	22930	22349	1	1	1	1	29444	26154	20083	19683	1	1	62034	62752	44759	45002	97004	94817	43014	41401	1	1	123007	118766	71892	75263	76779	78471	42329	49286	60930	59127	42317	45850	21226	24223	37012	35219	35782	34802	30426	31570	1	1	14622	15818	22456	21318	28839	25760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(+)-Abscisic Acid nullnullnull 6.437736	64067	65542	54334	30612	32833	23925	33511	42972	38948	35702	30969	26087	60608	57248	95357	93517	40056	54060	34548	35173	44674	33809	48059	53923	14439	21828	25054	30662	25480	43350	32068	19252	29034	29436	25431	12671	15239	33004	26100	22351	39520	33669	19302	7763	12495	1	36537	39385	1	1	1	1	46593	38634	1	1	47022	32355	12512	19718	34184	35544	1	1	17998	22157	1	1	16133	17078	32656	29383	33412	23807	22123	19960	19793	18468	63749	61486	96985	106156	98933	104579	42467	41880	21066	26685	40161	46454	34156	39215	30130	38172	53676	55903	100165	109652	47712	48295	74891	89277	43638	46081	55883	67555	14061	13613	109103	105620	30049	37932	366915	54958	26567	34517	23393	21407	39194	34862	15259	33563	16414	16424	21028	20568	1	1	20179	21625	1	21872	26470	32467	34309	28700	33801	20850	1	1	36803	1	12898	23725	20140	22172	13103	22605	1	1	25262	22895	26171	22337	43407	51182	1	42245	29268	30684	17710	26289	26513	19147	15558	13255	12694	1	1	1	1	1	24993	20830	14675	1	52165	49405	1	1	1	1	15139	1	27345	26712	48281	30605	24493	21735	40902	40804	19918	21570	16714	18841	24293	23500	1	1	18618	43099	1	1	1	1	1	1	22334	21349
C3 H3 N O2 nullnullnull 14.047998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20922	28552	20988	22105	22659	19544	1	11384	12572	30037	1	40437	39895	34711	491505	180499	35502	49196	27715	43712	492837	1	158773	1	1	1	14551	19177	46412	45668	1	29349	86642	31609	40189	59120	16860	89119	31616	104611	17050	59288	16716	59037	30252	1	1	39620	26690	110883	20781	62292	1	56492	254582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.8612@0.87643987	64051	61689	66127	67874	56740	46554	72964	79123	72705	70765	52454	46695	61420	55316	48743	56411	78445	63960	59407	69005	41525	44748	78885	74896	59867	65187	53416	56479	69589	68651	26510	27617	38411	31858	32970	31811	26680	33467	29852	22872	30174	32885	21150	23072	19001	23202	25197	22228	18148	20912	13970	19986	28120	29009	29254	22971	41761	33173	63414	65271	74702	77032	82746	80621	72526	73204	71847	70504	56849	55325	67381	71965	46804	44560	60383	56985	68705	63831	74408	70268	76511	73207	72093	76476	53608	49735	53593	56449	63639	66963	68949	71587	65414	63687	75577	74469	85016	85442	73550	65040	80077	79723	72597	74434	79510	79681	50159	47300	76177	76790	77582	72762	99440	89114	26310	26625	34810	28155	55663	63670	34327	37309	16077	15810	29251	24971	31773	32504	40513	43921	30531	34994	39902	40405	19298	23134	23486	27463	45757	46600	26109	28841	41391	38428	16448	22541	29727	25305	21424	17553	40120	36932	16791	19155	49760	50937	22138	18769	68436	78120	42517	38817	17604	20234	1	8213	1	7614	8209	7477	10895	10357	15732	17568	9728	9853	18552	11623	9097	6330	12180	12078	1	1	19986	23216	31652	28020	9542	8706	22505	20922	25915	25720	7718	1	21821	21880	6667	9581	21133	21304	1	9526	16611	19455	30431	27633	19648	19718
563.3231@12.043739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33893	1	18741	1	1	1	36496	1	43382	1	1	1	1	1	1	1	102300	71429	608104	234327	78426	15556	22057	1	1	1	1	1	23311	1	1	1	92043	1	68170	1	27066	1	103607	42904	1	1	331689	36663	1	1	98653	33888	1	1	68968	1	1	23911	30622	28172	39792	40191	37363	35619	1	1	41792	44567	45609	41158	57077	56826	22416	19675	89322	80467	1	1	1	1	44656	44351	76514	83027	51875	50484	1	1	37033	37636	1	1	32433	42096	1	1	159349	121649	1	1	69632	73136	85404	87343	1	1	28508	37720	27134	21504	33680	17365	1	1	22466	1	138703	121914	17024	1	1	1	26217	16295	1	1	18029	1	31068	1	17056	13464	12495	1	1	1	20070	22302	38320	1	11247	1	127996	1	1	1	25816	1	47080	83280	18671	1
729.2474@10.761836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6689	6994	14488	13227	27409	16229	7103	1	9334	1	7450	1	17817	13554	1	1	8607	8657	1	1	16663	14522	137650	62528	29304	18684	11920	9719	11289	11308	21218	20295	30333	22068	7092	1	30637	15227	32706	21823	15200	11589	32713	21512	11932	11852	41188	13667	1	1	19613	13984	14043	12904	14409	12418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9422	9663	1	1	1	1	1	1	1	1	20037	20516	17026	13546	1	1	1	1	15859	13238	53566	36950	1	1	12825	11417	27523	19620	12357	9995	21516	16636	1	1	14051	10467	17978	15651	11143	8172	13503	11895	20325	15004	16864	17406	56205	14601	1	1	28706	21216	56168	82334	17367	15036
C22 H28 N16 O	17984	18249	18183	19495	18487	19421	17050	16982	16143	18672	19675	16498	15232	16280	16013	16664	14886	16590	15101	15639	17950	18151	19308	20214	19945	20267	19992	19938	19868	20711	18254	20230	19906	19384	25657	26259	22342	21290	23087	20069	20080	21503	21967	20659	19567	20217	18999	22079	20389	20393	22613	23230	21019	19620	22673	21916	19882	19715	23781	25449	23882	22793	23214	25723	24005	24156	21517	23094	20974	22914	21799	20482	46707	41245	44917	39377	40797	42489	39849	39120	38019	42504	37264	37003	41003	41534	39282	39798	40990	39442	41875	39717	35321	44723	41570	41987	42468	41228	43983	45432	42954	44277	41862	42544	39059	39890	43084	45511	41775	44859	39378	42186	190097	46546	14999	17311	15676	15462	16073	16384	14478	17993	16734	17766	16268	14541	18237	17334	15725	15274	16268	16113	16461	17457	16329	16482	16051	15947	14589	17176	17105	17486	18286	14946	16668	14802	15167	16356	15352	14785	17675	15877	15204	15862	13498	17779	15810	14648	15110	16050	16510	15410	14077	17590	66389	66100	65214	67457	63340	64940	65063	68254	64448	66560	67553	67515	63397	65283	51452	49190	50911	50893	45282	45404	44507	45393	43713	43211	49521	45403	45447	45179	44934	44942	47328	46389	45047	45149	45831	48868	43519	49273	46729	46087	46185	45662	47868	42485	45591	43287
> limit nullnullnull 0.83817154	82675	81474	77634	74764	104064	98244	70950	71616	80444	79492	102987	95415	93875	87983	86302	87693	68997	75923	83291	85295	96715	95972	63012	61366	94989	90723	89530	85182	69066	70632	58813	57139	56994	62042	53613	47222	53944	53791	71120	70958	65133	60145	51376	50074	53323	53095	69008	66771	37417	37483	72663	69306	80377	79404	33546	37182	71342	73114	45583	44691	57144	53820	36784	35927	53530	53052	53521	58921	54847	50796	32795	30075	116843	112794	102654	108249	64115	18668	13307	17968	21605	21578	26184	30782	48718	56616	31026	31165	30898	37879	32804	35760	67250	74818	44081	35459	44176	49643	116367	114968	62412	61105	101054	101283	98258	93348	94227	94884	96325	103037	100529	96384	142485	107989	55199	55381	55881	55893	64198	62159	59579	55540	52068	52383	55980	54246	55579	56814	59265	63002	58732	54792	59713	61198	59727	54864	58591	55383	59090	58945	62466	61034	56325	58700	53745	55591	58091	54057	53055	49126	58687	61147	54109	51391	55331	63300	49273	52158	68658	67850	59513	57216	53376	51662	71044	67319	65766	70734	66973	71336	55216	54497	72399	73674	69545	71213	63321	68066	75378	72982	80661	79717	64185	68025	92122	86564	77015	79066	79661	78195	85568	84296	84191	80339	69272	67082	82647	87198	70142	71856	85625	87652	59577	54278	85481	88645	88058	85415	86074	85354
> limit nullnullnull 14.031691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18865	153290	384400	75137	1	125917	7675	200432	1	88656	62062	416191	13979	24281	73905	84544	81501	89108	138935	50820	45874	165020	1	63515	89241	164173	657860	251579	26347	22994	142529	11764	51111	148407	57105	20766	146101	16515	158575	1	326290	14288	26703	75702	21116	254715	155526	252643	20405	882676	152246	29781	75750	10898	116532	182662	110337	27627	55471	39444	38521	394697	21122	75610	61555	33948	109271	33876	1042726	21087	15752	356565	108162	23839	28615	461307	18064	30684	42526	24980	28037	77988	42632	93571	22952	44487	47050	19425	14497	97836	15279	41277	16682	52392	17835	17264	97778	78603	13201	101850	141667	60639	61315	14493	14403	14666	24010	23743	29161	44671	209951	37113	46837	24882	103756	22111	392573	136859	124500	446797	112137	24130	62443	74300	39235	1236752	202129	39091	245171	24455	110215	58834	31967	24605	87549	279040	32137	24045	129515	37450	941047	18021	185366	63469	28026	1288494	185799	19998	32504	150748	1527496	154866
C18 H21 N3 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27605	28258	24106	23046	78946	83125	10364	9195	30010	32782	31316	27924	67000	70383	9358	11985	10715	9898	1	1	8572	10934	31274	44423	38491	37785	14175	15585	29471	29952	111559	104449	37185	39222	21341	18584	37597	40905	32799	33770	20373	19425	43563	49315	38790	40984	23706	27686	22665	22568	10398	10227	44310	44341	19585	32004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.2039@10.766875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60458	1	1	1	87512	1	1	1	1	1	93344	58831	1	1	81098	1	1	1	1	82209	39276	31658	82981	86812	29400	97783	1	1	1	18152	1	1	1	99818	111858	1	38686	56449	1	58132	47956	129941	1	115520	1	90653	101919	82389	116112	32979	1	97643	220181	1	94089	105357	75607	106350	153781	124801	100480	115335	146366	135508	56915	113469	112156	106233	106083	119885	47773	132024	108118	135355	144683	96567	134550	94923	74294	139120	61592	112006	1	60349	21283	1	121974	52878	129896	84440	52813	54356	24659	68361	71529	78944	55883	80860	137552	112658	1	25463	93728	67667	136837	1	145757	66829	134884	113598	124150	121261	128825	61831	129115	45571	138802	112952	67921	21742	61508	90119	64788	33568	60146	144225	90771	128326	137688	121701	79829	92767	78600	115267	1	128021	39794	76827	78044	111786	62006	99541	1	1	124678	122442	134652	29297	109266	55709
706.9924@0.892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12586	9715	10875	10873	62189	59082	1	1	1	1	1	1	84291	80877	1	1	1	1	1	1	1	1	58141	57661	35782	39409	1	1	118324	116749	91476	91280	75676	71071	13626	13955	91243	92584	62631	60632	9051	1	49258	45209	16651	14986	13374	11317	1	1	11156	12375	10015	11219	13369	14384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.8233@0.8558956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85150	85330	81092	77848	75510	86824	95022	84499	99201	94889	82557	74730	92139	89097	54328	48761	82104	79413	87215	105644	88278	89011	71295	72281	79702	79179	82758	79183	91852	82035	72281	72742	71284	78369	42147	41471	79695	75941	77281	77414	76264	82107	71154	67333	78104	71696	74921	71634	86389	85924	74511	75543	73082	75644	78374	84109	66134	64313	81328	76395	54005	59952	74381	79024	73940	75451	75187	68379	71818	73881	66851	65763	71963	74429	65055	65298	64477	64294	79538	83392	73602	76123	77417	77145	72800	66205	85280	85563	72363	72896	85837	84946	79895	86016	76385	77240	47141	43293	73501	77465	53402	51175	64541	63627	82862	86632	35413	36455	39927	41110	31601	33016	62974	58246	30771	32911	45615	43424	56459	53752	45923	44128	36191	43080	45603	47529	29372	34091	33145	31011	42124	45300	35744	30691	38534	41879	44888	42447	32387	34508	42456	44908	38261	40118	65616	69246	39637	39588	32689	34486	39207	38635
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403.9055@0.8839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53393	67158	79833	71130	138771	151336	61250	59270	51645	61655	38493	39647	140537	132539	60395	63280	47938	56419	54577	48053	65657	68822	123512	126329	111016	123031	31695	38536	119324	114396	126737	143062	122316	135944	88769	106360	151450	150779	155999	161542	61881	62511	151372	143142	95584	79514	69256	86770	36190	24462	75051	95750	59700	68163	112936	88697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.8823@0.93253195	22140	21957	17581	20811	30535	35051	17464	17605	14117	14890	28069	26512	19330	20252	31088	29976	14191	15774	21860	19249	33845	31793	17498	18489	20508	22683	25325	27322	19532	15292	65102	61322	39988	41905	46622	46993	56645	58209	38704	36929	59495	58604	77873	80789	97981	106208	57194	56341	87792	86584	136541	117500	50065	46403	71835	74444	45245	44047	18938	20255	35793	29934	16515	17540	28454	28356	25609	23256	33553	35129	10679	8207	85539	86361	51317	47069	44320	38962	53690	53741	54836	59945	37422	37445	70398	69806	14261	15480	24002	24755	23971	21927	56463	122146	35826	35692	30744	34232	67545	66908	44964	45829	67539	65509	48745	50840	58540	55843	69596	76931	54519	52635	39133	37778	20027	22972	17554	18106	13052	13541	15901	14135	23331	22559	16181	17216	19575	14728	18458	19805	17503	17178	18492	18393	20588	21067	16006	16535	15003	17737	12258	14196	18080	17553	16678	16270	18919	17258	16158	15132	14694	14235	20395	20162	17686	20456	20353	19864	9708	10027	19677	20762	19354	20584	23502	22616	22445	19817	20579	20539	26393	24605	18126	14958	15485	17100	23342	21882	29097	30795	20390	20823	33601	31593	19513	14370	16063	16282	22120	22872	18168	14154	13334	13153	26797	29375	16881	14291	26458	26199	16674	16286	41808	40188	19000	19327	14512	14902	23358	21423
C22 H23 N10 O15 S nullnullnull 11.435999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102780	81186	1	88056	100240	98365	96303	75003	97143	98725	78893	70848	86285	88636	1	55826	46672	54369	40781	51581	39647	52795	1	46447	21722	43336	44294	53637	47839	34309	52948	21594	48823	61786	39226	46378	46437	54668	32989	20661	19200	52313	40597	37010	43390	42421	34267	45132	58966	52428	16937	49340	38481	38951	1	21378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Agrimol C	109324	116425	35557	35924	16486	18030	65270	59318	132688	129342	42655	43354	77742	70321	81462	83075	62035	57579	69322	66249	61859	61256	71380	70336	52923	49654	227930	220227	95803	98577	183616	183513	122524	123802	251988	246918	249685	247729	273810	277807	248320	250063	125337	126665	310847	309781	195661	203952	70264	73610	37547	43379	264601	259465	32415	31098	103576	100799	36246	37879	47509	48600	39608	40253	69094	65161	27682	28180	1	1	78470	74574	76236	74072	26134	23748	85972	87379	80913	80170	21225	19567	26835	26221	11623	10186	54666	50760	69554	72287	27808	29431	16836	22256	65269	64721	59548	54839	85540	81329	128483	127550	86675	86403	38970	39758	1	1	58507	56635	53460	53095	37894	46005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20755	18999	1	1	1	1	1	1	10777	12339	1	1	1	1	11813	10929	19331	20013	1	1	52627	48184	29505	28049	20629	18183	13158	12450	33498	36227	1	1	1	1	49257	55281	40379	40232	20885	21847	20635	20575	77341	71359	38957	39430	20096	18050	42057	44719	15161	14328	16332	15361	35146	31814	30253	29720	31970	34768	12654	12856	23825	25147	21287	18961	23401	26133	20757	19069	15695	14108	25104	25878	20402	23823	13955	14235	31789	33644	19509	18197
411.2045@10.207399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23440	21476	15976	18918	1	1	1	1	1	1	49319	42838	8831	10296	1	1	1	1	39997	41076	130320	135244	140223	133599	22447	20744	59526	56950	61871	70716	55592	51671	15186	18392	101968	100139	137240	139431	23056	22397	102756	101956	41626	40485	51842	52015	1	1	40250	39032	27799	27243	27345	37230	1	1	1	1	1	1	1	1	1	1	11165	10792	1	1	1	1	1	1	12615	11973	10299	1	1	1	1	1	1	1	10220	10920	1	1	1	1	1	1	1	1	1	1	22025	20749	1	1	18535	14709	1	1	1	1	1	1	1	1	1	1	1	1	24356	28997	1	1	23964	20342	1	1	1	1	1	1	21194	24091	14275	16791	11684	10110	1	1	12855	12716	15267	16542	15274	17878	1	1	14010	18912	1	1	8426	1	1	1	21029	24156
Propanethial S-oxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	190942	218149	197622	202580	268218	278956	275642	274931	254264	262120	212773	218320	327893	339988	191166	188578	253688	253937	264250	276163	239555	252803	250132	265651	244994	260751	224527	206819	470072	473055	399135	407448	325107	325585	201487	230942	375200	386403	334643	343131	289087	299345	302076	294936	263674	260088	248710	259320	266542	247599	213782	224419	255367	210772	325528	289222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H6 N O10 S nullnullnull 0.8393233	182013	175196	171604	169253	184052	187817	170442	175047	180366	175972	188868	184224	183203	180742	178605	178670	169254	170485	178147	179284	190478	182728	170762	176722	200513	214407	194014	196371	182638	182802	229568	217177	229750	228140	239210	222663	229272	226205	223260	233571	227018	229222	227575	236066	236703	251085	237450	246649	232971	259724	250371	237049	263793	261779	242026	246593	276249	281787	200228	103840	207033	211863	212089	207135	210706	203347	199949	196272	156599	154716	145345	141571	240600	215739	226741	212246	210295	139193	139448	153528	152372	156799	174949	183931	150346	148983	127261	123097	158321	166255	161744	168906	149325	218374	210324	205674	228229	229091	252123	265291	247103	235122	265108	262604	263139	258991	218871	214672	258839	255443	267891	261169	347538	280507	187450	183597	186829	187499	180380	189907	188886	185686	178484	179213	196390	185664	180164	186828	188695	190600	195260	188200	187736	194113	191502	195740	196316	194422	198949	193474	197714	196552	202543	195255	191795	198569	199351	189464	188616	190189	200724	201522	196355	189615	189893	188756	186526	188865	210337	209812	199987	193509	185730	188055	187577	176311	190693	188645	191340	181319	207242	205902	194192	187151	197374	194765	208818	219806	203999	203748	201917	198279	203070	202467	206560	204141	201156	206223	206046	204577	199593	204080	210532	205879	205937	197684	201832	203452	200448	207505	210005	205159	229116	227456	208715	216474	217116	209306	204118	207969
327.7676@0.872018	63467	66398	72181	68275	96945	90199	66177	60199	70844	66451	86519	86832	81926	87034	75301	74127	73315	59809	72599	76765	101239	96899	60852	58670	78259	89946	79587	74490	70935	63262	195414	189888	181430	183715	201164	194298	197550	201814	180186	183249	170082	175274	206227	202353	186337	188900	175224	186021	210449	225611	124630	117110	178380	170941	244807	241399	159773	158483	50462	53062	66633	69683	32712	35923	84993	82088	83739	87065	103409	99639	34158	30291	59625	56764	105707	99433	72688	63458	49658	56928	32452	34313	33899	38685	88788	89650	22974	20001	31340	28544	35483	32466	39586	34598	29863	34916	31799	34101	85630	88747	39063	37010	56643	62439	63193	64335	134406	129893	67628	63993	73670	67069	56012	66388	163705	150480	182373	176511	96034	97862	157738	164944	197827	200484	166074	155223	163169	159975	151994	155967	164561	164660	148982	153361	161570	161751	168734	172618	158610	163340	161438	160355	165233	171199	180789	181064	171318	175302	214957	213925	171917	172044	192736	192116	90896	90895	204054	208584	79511	80749	155200	163103	201611	205402	89804	94390	108652	111003	92015	86950	183138	189629	67765	72961	110738	109679	163076	166682	121335	123472	97108	97307	124763	129104	79658	80679	56020	57136	113212	110630	76146	74609	73277	70794	115650	120649	69634	70841	121467	121391	86393	86403	220663	219115	92962	84177	67442	70720	81877	78689
94.0534@0.86499983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20219	1	20858	20047	75740	80541	1	1	1	1	27590	6611	137993	131795	1	1	1	1	1	1	1	20336	102762	104336	88100	90887	29037	33374	112676	122667	86674	93380	118829	118258	1	7767	112732	112898	112949	108403	1	1	66879	40630	1	1	1	1	20260	20653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O3 nullnullnull 3.0242765	52762	41668	62294	43949	46954	56981	27971	53432	55792	42435	63983	37855	50216	68748	51609	42923	50152	46647	53652	44439	44478	59149	48894	53841	64395	80178	49210	42842	57485	77129	57409	61551	76396	75117	60775	66402	65083	52366	55697	72669	59628	53015	61631	75312	60877	75563	54441	74439	94133	68565	79375	57345	72499	70848	73878	95047	82736	70410	110550	80588	64044	66356	68144	62136	92189	75632	76742	63910	60173	119836	66939	79521	99939	60550	85928	63939	87095	60586	59726	71288	68638	106165	64609	55372	48354	61299	81661	51505	82548	61037	56342	58655	1	73064	74575	69444	73006	110569	83944	44480	52410	69214	78920	69130	64508	44280	59818	66602	71470	66879	87024	78893	87170	105751	74647	75984	81128	85491	81764	79317	61700	70168	96892	65127	81361	76989	103139	62231	81848	68212	88778	75810	103427	90022	67282	77164	53512	80688	71944	107442	91413	100209	78141	75862	63552	75464	63648	86782	82211	104412	87833	92737	73612	85881	85150	95305	99589	71184	102758	82528	71827	71180	87676	107602	71222	72555	102119	70369	77026	100839	86570	153372	71233	83287	74253	75416	69174	56228	74237	89414	64357	66290	62679	81244	95803	90999	75821	72919	71460	72054	88542	60390	79050	87726	58433	52153	88497	61104	104195	61056	86118	67286	81836	58085	86648	87599	72992	113019	83341	104259
224.1048@4.530277	41672	9353	76859	21627	16292	1	14521	22041	20840	24968	22059	17000	35584	7001	11294	1	6513	87099	29913	26828	19708	21339	19003	22131	1	1	15934	16433	1	13371	1	1	1	1	1	1	14005	1	15282	12100	19432	1	1	1	1	1	1	17815	1	1	1	1	25801	21079	1	1	1	12987	1	1	29143	19007	1	1	10159	1	1	1	10697	10147	18191	17535	12985	11342	1	13474	1	1	33029	40119	54070	65885	38911	57967	20192	24153	21628	31179	25987	27496	10663	20611	20473	16836	36534	45437	45909	50005	18625	26939	23424	47602	26984	28671	24575	38713	1	35859	43571	61400	22394	17047	25496	26479	1	12369	1	1	1	18357	17095	1	1	1	1	14855	1	1	1	8966	1	1	17720	16288	19189	16003	17042	11595	1	1	1	1	1	1	1	14534	16198	1	1	1	24735	22451	1	1	23494	21333	13366	1	1	1	15590	1	1	6768	1	1	1	1	1	1	1	1	21377	23593	1	1	47159	40195	1	1	1	1	1	1	19538	21180	37523	33808	13786	12750	32431	7227	9994	1	12431	15637	11307	10070	1	1	12830	22547	12583	10073	1	1	1	1	33838	18497
393.8922@0.85133463	89332	83540	76494	90887	78708	71440	83441	75853	86255	90328	75703	74278	78206	85914	73101	73747	94293	94398	85399	78678	72546	70404	85898	76590	84077	81728	73784	79896	74915	83561	85550	85794	92744	91056	93506	92122	85898	93022	79183	77690	84249	85579	81065	89068	73652	68549	79655	73770	85268	92649	65335	68612	77805	78409	106692	106965	94118	89612	77424	71324	64628	70168	89123	91823	62682	66750	69368	74332	55429	65783	74844	82918	55457	55377	63749	61945	75366	65771	59431	58434	56427	72238	75262	84162	48461	47426	53597	60637	71898	66557	71080	72656	74181	67707	74340	77215	81214	86881	65095	63625	87480	84927	77963	82579	78355	80031	56763	61561	68272	76000	69927	73043	95774	91470	8954	15126	13505	10181	18234	14653	18644	12111	1	15006	12605	17436	15425	14739	17981	14504	12007	21721	18041	15193	13453	17081	17802	9818	15502	12907	19061	17336	14253	13179	11926	16366	10403	9765	8526	10266	16961	21894	12551	11047	14524	15894	14827	14856	23594	21369	17097	12105	1	11124	11116	9653	12561	11072	11928	9258	11668	11054	16321	16433	10657	11597	13059	12901	10298	11142	9866	13894	7966	7917	16388	15890	21249	20484	12930	8917	20580	19847	23835	18827	11017	9864	19636	17653	7247	9829	17570	17143	11339	7802	15129	18032	21893	21430	14486	17465
305.8423@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68830	66193	65676	69802	69252	86853	73046	63843	71529	84281	53235	52469	74458	87430	29609	30395	57343	59723	65404	82976	89219	95440	86720	83088	82307	84638	62638	59823	57816	55755	69085	63875	65844	62411	47114	43959	57313	67047	64341	67775	51732	62415	64470	70061	58868	57355	63865	54579	50247	60538	44385	55567	65148	67977	67791	61043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.1137@9.416993	63053	67561	31138	36432	40380	31976	25439	1	31719	34676	42834	46265	22922	57980	103315	94598	120974	28580	26057	51254	47556	53960	39266	61154	17834	38464	51775	21366	47574	49015	1	1	28356	1	1	1	1	1	20049	43972	1	32429	1	1	1	1	46555	51281	1	1	40364	34564	31205	60592	1	1	18498	24834	1	1	63354	59685	35455	36639	1	1	1	1	32856	40916	35803	41145	36432	40484	1	1	1	1	54130	55815	222909	148029	118656	91802	53137	46238	35389	31245	45585	57614	49569	17995	68321	54982	68162	71442	78305	88603	51551	36440	66259	91012	56552	49802	72778	67307	1	1	98758	99141	54181	44865	88299	69982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.8139@0.85401636	90674	90036	106480	98519	75821	81659	96117	96449	89164	93301	85369	78195	89991	86899	78651	68775	96455	106183	81103	80759	70248	74786	94681	102568	78696	87439	84292	83338	96903	104544	95812	104275	107093	110832	106969	102426	109312	113306	90920	90703	102866	104578	94149	101037	77050	87279	88042	89612	91588	101867	54952	59033	94988	91192	124872	122685	112154	110250	101957	94904	100412	98255	136451	136267	102194	109546	108085	114518	87314	86216	156690	164225	61806	66345	96140	102426	101858	113090	90051	82990	114088	100254	120340	125007	82853	77973	126331	131173	134824	148245	138622	138843	75183	70500	148913	153989	134205	134912	92022	85422	120499	125976	90471	88325	101319	87471	95005	94513	88024	93947	89447	99579	106185	105923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1296.6982@0.90599936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19666	15389	18229	17522	30715	26545	21041	18640	17285	16631	20698	20582	88697	95947	23933	26461	27693	23669	23434	9802	8565	7740	54093	53292	36433	37599	19440	19322	116741	116953	77030	79144	77740	75310	21935	25507	68251	69049	50150	50335	29988	30109	26506	27532	6714	7194	6458	7548	21307	19204	26317	26874	28134	25103	6844	9402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	179173	140925	172929	145115	125587	119234	148705	147310	131630	112455	108864	130710	118099	107110	56126	43633	44334	41382	53438	37215	44821	49852	1	35439	42749	39192	40700	47591	50509	32031	64976	34019	61686	44511	58627	67417	38160	55550	43210	43281	38494	47005	53363	24826	56402	62159	82092	46816	53484	51514	40507	54093	33470	52995	1	60733	43256	21017	16116	22548	17158	21535	23250	1	22555	21458	21980	19746	42529	19915	20459	34504	21463	20356	1	1	30744	17774	18948	19224	21240	24490	21961	1	33332	19729	34257	19802	18171	20439	20675	21025	16987	18657	21622	18181	1	19553	34760	23931	20358	20456	35852	35857	39540	22747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0282@1.2579998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	111991	78201	69794	80447	109536	103670	71386	72624	84728	97490	67719	72339	250341	266263	74540	66220	115964	119099	104700	119242	79978	96447	160177	134135	114140	120050	96690	96015	1	211265	95544	181694	244742	224212	69000	79657	1	1	129921	210339	86348	92203	188582	99720	120056	119585	113420	115624	94634	90362	86434	106259	91143	100971	178677	163443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
94.053@13.402005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41423	20953	275219	16887	22863	50079	35404	32557	27101	36055	44480	210899	47107	157482	1	1	1	21132	1	123374	1	1	1	1	1	1	1	1	1	1	25543	34152	1	1	173660	37250	10694	1	135258	21290	78182	1	22917	126238	21675	1	185474	110857	1	156842	15760	1	146286	1	21473	22916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.400002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	124035	106574	214938	195940	218515	227571	165371	142763	167106	168659	233196	122738	214618	225156	57415	132114	58974	101945	131813	82655	120968	65856	176569	79207	75663	58679	142334	102556	185665	92290	109551	98065	59753	66120	90746	208294	65846	90537	68650	74842	161965	115596	139604	72101	60806	127481	86422	69792	122950	124336	112698	95837	154142	104779	158332	438253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.0003@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12455	10240	14536	14446	52750	53228	6420	6629	10390	10181	18132	17901	99148	98577	16326	12790	11814	14837	7240	1	1	9526	49627	56277	46420	55152	19763	21465	117966	116320	92974	103420	133623	130225	35544	50809	142568	139438	117298	120963	13863	13690	83710	84667	18099	18644	25440	29417	15674	16986	24993	23905	22527	17782	34155	26557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Aspartic Acid	785752	794712	635520	632478	405981	418171	733775	739759	611467	582005	535175	542888	441685	424144	540156	534677	625016	625559	515937	507671	641814	658460	754610	747246	566544	568438	908428	912955	931951	971088	97711	96065	51077	57601	21997	23986	27769	28131	138601	138042	45800	52110	14695	11933	79445	80883	97875	93137	13306	13801	40875	39872	167016	161641	1	1	72712	73616	55040	53607	65528	66037	51999	55611	51415	49628	23313	18119	53990	52141	72894	70556	101131	99290	34426	34720	55169	34303	14157	12597	56439	59090	63533	65599	41843	48670	114771	120072	77405	79760	86163	90320	78887	84033	86348	94656	77737	91278	49895	47424	66858	68469	74892	71814	24372	23293	47205	44832	132022	127208	71653	69505	32759	29054	196946	199817	238128	243032	123793	114826	165155	174966	145396	139990	275541	273704	270082	264062	283755	284586	224590	236456	434672	429704	255604	252489	206066	214995	243428	253345	288083	280666	341287	351170	135539	132909	260776	265977	107438	102902	182019	174487	156102	142583	425499	407004	133245	131299	258507	261539	153984	144008	181541	189612	316322	311683	239303	250739	284318	283058	150259	148607	227371	224588	232495	241053	338358	332507	512563	508365	352981	331347	318583	300156	497719	492844	222772	232616	250620	244517	651999	638275	221066	221911	385694	385983	251111	254104	387178	403713	420413	410908	119801	126666	368098	365269	815637	800731	466335	462455
421.8933@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70928	73698	73573	70329	47772	47668	81068	78564	75704	87107	70768	74353	45361	50945	59470	64625	86696	89670	76802	52373	44789	49808	47447	35603	49684	45337	60655	66810	50887	47375	48712	49439	48169	42894	38209	46638	53631	50114	55685	55541	87096	82659	64118	57156	66678	71723	67862	66032	83321	84043	63390	70285	79457	69205	64340	58670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.0084@1.2985722	44366	54973	64077	75225	60465	63124	75396	59919	71333	61157	66149	53535	56627	70904	87534	68625	63731	50167	72342	71801	45455	52182	81830	94252	91812	75847	70992	67166	76344	79523	100338	106556	117724	86357	101834	99707	92451	74413	59907	67269	85635	100434	136489	82348	79167	116334	52498	71200	113610	74700	123334	76029	112058	126966	81216	72693	115490	122633	112584	74588	68823	92638	85160	76820	106716	71706	88999	66087	64813	57094	74181	73604	59983	95512	124750	62502	73334	99725	52707	94658	51466	71098	79838	78018	76987	46571	70843	68620	67966	77427	71340	62499	75269	72364	76907	74000	81823	72889	39429	112216	78724	94787	73332	90689	90021	62385	57579	74536	87002	45015	94562	73118	67677	86703	107555	82093	116509	96945	107910	151789	91850	78099	70476	89782	73132	100971	83067	111859	63341	88142	76995	107226	92209	69075	106765	63813	65916	57197	96176	109730	51379	86542	139651	50916	89006	109467	111738	114229	95852	56805	73162	106344	90859	66152	119402	109393	93072	62496	77490	103858	59535	52362	174421	57854	64955	51325	52724	55520	91611	81046	60745	80137	70336	111192	103853	46552	76439	85741	49796	52107	60385	45040	51515	65322	101670	97738	57798	24839	68684	87290	97839	84698	82026	58479	60139	52302	60845	75389	69837	70414	86668	61121	82673	72184	83108	89064	66371	84875	96383	84298
242.0403@1.3041867	15111	18017	13375	17067	23913	21192	11162	12841	14587	15179	20256	20805	13997	14720	17043	15957	14512	12987	14257	12507	14681	19716	14734	14510	22692	24293	20548	21090	11813	11110	56368	54694	58454	57560	58006	62700	57219	56650	56815	51908	50552	58638	57752	55005	65816	63592	59648	59000	69392	74029	88024	86372	65932	67074	83837	83530	74742	69299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6738	1	1	1	363355	620879	621972	630670	450899	381358	396322	363031	430800	392635	150159	125532	127234	114556	97727	84779	99357	108808	38914	28266	30661	23441	36382	35139	22609	27098	53585	66220	73521	82394	118336	124663	113099	129224	138112	134951	111880	141825	13852	16024	16295	13728	12515	15340	12800	12811	15480	18204	13991	13843	15611	13443	10607	11178	13575	13521	13731	14266	15101	14872	13230	14587	17649	14962	17110	17785	15879	17663	14892	15646	14715	15834	18439	17041	14614	12512	19517	16276	11632	12829	15286	17069	11929	12909	10527	12688	19155	15401	99314	90677	98105	89655	85487	95278	10523	104754	72971	47614	97709	95276	58653	87849	50727	9880	57176	59342	9886	11970	65871	79572	75853	80060	52908	58073	43529	68952	76579	55892	58382	58754	50632	59742	83387	56957	88202	63260	87730	53930	16016	10177	54418	51235	50975	55706
C11 H15 N5 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42222	43758	96770	98820	139415	139436	41500	43886	80673	25383	123083	123530	411929	428472	13281	11692	75207	74434	14368	19872	85713	89241	329548	386575	152103	172058	94634	94758	162310	167506	82263	79228	204673	217196	194411	119353	281209	286379	176917	175923	41072	41058	87814	97311	99588	105749	114467	120912	77458	73018	46998	46836	30557	30879	195485	149516	356086	340260	288518	292959	266570	265219	377285	373144	125202	133501	339577	347479	170651	162146	223635	169934	641451	654738	404468	395863	236216	245189	389628	375538	346279	357646	153856	201370	346752	323869	184963	235034	290199	292672	170514	172136	109296	106330	171509	212791	134154	178353	318458	331458	509411	509167	196906	263607	302155	284300	36781	30652	118228	124211	109629	114692	113829	31623	133274	134712	109332	101261	183989	180264	144932	87267	188217	170622	73918	118549	198406	216372	227028	223097	115894	149120	236155	214932	217630	212833	122863	65865	184620	201596	66925	60804	202527	210113	131528	126709	184386	185315	241574	231401	195343	201652
C26 H31 O8	14440	15330	13838	13935	11759	10767	9366	7406	8963	8644	7530	7439	8839	7573	1	1	1	7446	6965	1	8773	9943	7529	9188	10640	11446	10621	10343	10873	11636	8949	9512	10705	10675	9380	9484	10596	9272	11317	10361	10724	9798	9425	10712	7720	9707	11394	10958	11530	11236	1	7552	11419	11880	11046	11999	10445	10034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12240	14788	17812	18205	16869	17183	27144	26327	21781	20331	19553	17341	19275	18125	14255	14064	16695	17223	17092	17357	9721	11317	22879	19900	21202	19818	25665	27616	12441	14275	12225	12543	14918	12466	12953	13081	11499	13899	12896	13306	107264	13957	18571	17784	15162	17436	26111	27784	18529	18439	16893	17673	15297	17605	18686	21439	18341	16434	18803	17687	18887	17167	20866	20383	27635	29006	17033	17345	18653	18901	17829	17386	17900	18662	19175	20671	19643	17892	19366	16972	17842	17811	27063	29166	19493	19671	25412	25162	18515	18950	18991	18891	18786	17916	18787	21203	25925	25703	17538	17495	16039	17108	18747	15918	25445	28506	17891	16085	18054	17034	16988	15528	14661	16285	14617	14091	13889	13646	14415	13084	14874	14282	16206	13975	13737	13942	16592	16711	12766	12633	35795	37591	13581	14009	13113	12745	13945	12122
348.1166@1.074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13737	13374	1	1	1	1	1	1	44073	41553	1	1	1	1	1	1	1	1	22970	17941	6358	6047	1	1	110717	109408	34822	41437	85645	79079	1	1	110854	110556	11360	12161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Sulfinoalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	229729	227447	250605	255770	455641	455733	140410	140796	230842	245780	486863	489621	701436	721033	127462	119981	195138	191701	133569	155435	209532	207957	721923	666134	605301	578562	516363	491805	561865	525902	457539	472666	656879	647529	230513	221341	539387	515368	99107	592723	155887	144423	111404	429984	185932	182367	271711	252641	317830	327832	59703	257767	226090	219444	43885	267945	43901	40095	32822	29893	51261	47584	40711	43495	26946	26622	65987	65391	47168	45141	62322	61222	63855	57212	57951	63804	56153	56657	31044	31923	82923	85335	114971	103118	104640	91083	32076	34185	48383	53169	36462	38260	42536	46068	67866	53061	63584	49667	39276	34917	97065	90591	81621	78946	37916	40215	1	1	1	1	26153	22911	19835	18839	10517	9601	1	1	1	1	1	1	1	1	1	1	21071	10784	44350	40486	1	1	39394	22952	11530	13780	1	1	11559	1	1	1	41960	10598	22252	21862	10352	8039	11015	11499	14132	1
394.8922@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42945	45143	41450	35176	70974	70650	43585	41931	37882	40484	28489	33023	71178	68342	16451	30595	32678	29915	44505	44007	45230	43871	50986	50706	52674	57591	30103	34615	78678	81564	70338	74646	79426	82716	45866	51883	85673	88556	78835	68432	26280	29073	70290	62958	49626	28481	36912	29001	28966	26159	31524	29537	30635	30717	46708	50007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(20:4(5Z,8Z,11Z,14Z)/0:0)	34901	31596	12757	17108	14555	15734	14320	13423	30745	25834	18460	18010	37437	22132	38709	27688	96905	23106	33491	20899	25749	32511	18620	18021	30916	20533	20963	20082	18277	15813	6767	8647	12976	12737	21212	22025	16895	17933	72295	62259	40496	36210	7913	8535	7090	1	72405	59374	1	1	14022	10302	83067	65308	1	1	23701	25613	15845	16971	10925	7810	19938	16991	8859	7518	8480	8338	1	1	23467	18170	13106	11887	1	1	8310	10127	14994	15478	131145	54866	27564	19791	6976	1	19971	16311	22313	24814	31216	25113	10028	8437	27945	20350	32904	24361	9415	11432	27996	25908	16416	17342	31215	13514	1	1	23258	17666	19689	18554	16756	12654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8548	1	1	1	1	1	1	1	1	18669	19846	12862	12006	1	1	1	1	8285	1	24654	17742	1	1	15179	13844	21812	16862	9432	10832	16256	14326	1	1	10737	10162	19026	17387	8167	6748	13483	14339	15392	9187	14912	15110	33530	11242	1	1	18617	15327	42488	54056	12907	10968
626.1302@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25926	22789	9895	10760	22273	23692	1	1	1	1	1	1	71990	78535	16272	12649	1	1	11868	12106	1	1	34249	15465	98546	101851	1	1	111110	106047	27799	29249	32594	30172	1	1	48925	48785	112485	122434	1	1	37219	36453	11135	9768	14313	14544	1	1	69743	65694	40606	41310	12385	19527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.7381@0.87396735	83198	85900	64484	66065	76322	84268	78266	62914	90269	89008	70861	71847	83629	79041	39597	48894	92044	91447	78384	71525	69211	66721	52623	52432	81298	92093	71109	70192	48156	53223	90409	88323	116942	129534	101111	104554	100408	109097	82874	72412	108614	94900	73517	71834	53844	47480	62155	67184	79197	74853	38583	41184	77960	77142	128600	122727	126656	123502	113101	115174	92678	96676	94658	85054	114826	121719	126504	132969	97499	94743	73878	86104	66780	74677	141015	139678	134462	129849	85025	85016	59038	53723	85325	94840	85161	87453	86708	79423	63028	77344	85675	79127	55554	51043	78319	76349	88731	82554	110809	123415	88902	93403	100565	113867	119203	123087	140490	139859	77731	90861	120859	127271	143454	146410	11157	9047	11967	12103	11735	13591	14318	15341	1	8991	11825	11156	13320	12845	12191	12917	11525	10662	12457	11194	14332	11475	13063	10147	9637	11616	16710	13447	10130	12524	15272	13572	12337	10462	11452	8778	13246	16289	7058	11764	10565	11473	10650	9512	14213	16340	11986	14339	11603	8466	1	1	1	1	1	1	6674	6964	7758	6727	6536	1	8207	8041	1	1	1	6590	1	1	10596	9591	12161	12238	7215	1	10112	7777	12857	12035	1	1	7446	1	7058	1	7738	1	1	1	7971	8704	8197	9830	6943	9376
263.8731@0.85749185	37121	46051	74169	65765	45435	40820	73662	82477	71402	75642	57422	57871	55864	46049	52533	30891	51236	73114	45127	43750	33341	35830	77774	72024	58565	57221	40469	44069	45801	69353	29091	23202	20934	36867	23875	27651	34779	28852	23894	32246	24680	35305	22925	26076	29439	31333	32161	29664	23989	18960	9750	10382	33495	16512	21682	20416	19991	32635	53761	52923	50704	56792	66614	73327	45104	45660	53892	37955	45704	33661	75536	85859	25789	21916	27326	38703	32516	54475	64191	84499	96708	64559	92982	91558	41299	32163	99358	64873	80427	80302	88898	70456	87859	38564	69737	86473	78584	64044	43507	48102	64755	82299	52423	49243	62752	49269	42989	42865	51519	50559	53265	43842	54163	52176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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270.1464@8.094117	24809	31480	13851	23681	16239	17967	11335	17046	16949	13968	15590	15413	13891	14424	20880	9961	16031	10840	15652	22130	22060	23488	15849	10543	16589	14171	15480	61853	21005	23046	11611	1	48473	10797	10045	21848	10088	12403	15384	45719	1	15172	15647	14829	14384	14103	9781	8453	1	1	1	1	15273	1	40243	10711	14545	14371	1	17041	29946	34319	14939	19362	28351	19387	14826	12141	1	1	29460	25454	27575	29765	18712	13411	36621	37005	37040	45410	54469	39316	45708	43589	18672	18828	99539	112711	87529	84372	17648	24915	15467	16946	130429	118873	66522	63516	96574	93750	75063	76721	45468	47466	25640	26319	1	1	59168	64374	40934	40367	36673	74820	13421	16471	18516	10372	1	10006	10188	15671	1	9087	1	1	13116	14973	1	12353	12582	14599	17323	17821	9164	1	39245	42014	15114	15538	36640	35170	14910	20834	39979	40428	50520	55945	59933	62265	25311	26055	35356	31711	17826	11039	9256	15858	10590	9475	18533	25709	34518	34612	10612	13215	1	1	1	11568	22312	16085	13365	11227	18261	15778	19066	13374	20956	12764	14234	14529	17752	19341	18511	19127	16754	19591	17652	14672	14550	14932	15829	17963	19991	20957	13378	18071	20382	20570	23221	19847	15852	19756	22566	12888	18486	23309	16198	19623
152.048@3.8309996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19044	11389	1	1	1	1	1	1	22570	22719	10158	1	18648	28393	27749	24824	32220	22792	25000	33918	39899	72387	1	28063	28943	31234	20469	26104	14880	18301	1	1	19177	18582	46835	59057	34668	29181	56183	44984	1	25884	33753	12871	23318	28221	31297	82522	30125	34735	20749	41128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.2812@11.21489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11452	9328	11812	14029	14127	1	6921	1	19164	16000	34757	25549	11587	1	1	1	10391	10302	1	1	12067	9681	140471	41586	11981	1	16665	16625	1	1	1	1	15771	10752	1	1	20190	1	11598	1	16191	11889	14797	8046	6987	1	42293	1	1	1	15010	9766	6488	8357	13387	7776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11852	12905	7755	8243	1	1	1	1	1	1	1	1	10083	10308	1	1	1	1	1	1	1	1	24921	25952	22575	18352	1	1	1	1	14062	8521	94649	76745	1	1	15976	17269	18825	12794	12793	9967	11847	6787	1	1	11104	9285	8849	7109	9165	1	11025	9010	13971	1	12890	13969	49751	1	1	1	14896	9307	35141	60730	8700	1
Fumaric acid nullnullnull 1.1609995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69231	67397	104453	53010	223830	232915	918761	919596	37441	41772	119787	98120	193008	316427	34590	39154	105963	106281	933534	926494	795395	834532	247356	236298	658079	666099	793264	784000	227658	197791	266746	307579	106314	245322	28173	80179	113121	291070	544548	558123	487788	466946	662956	651661	279568	276429	278372	287442	70004	77492	100350	108169	75162	73237	93895	70210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.0246@0.9330584	87115	88879	80711	79784	74975	74110	70808	74895	87029	84291	82942	84086	81550	85175	72024	72300	79590	82600	79021	80388	75280	72771	68781	66783	72575	72109	68696	70400	68999	73651	58946	54662	56214	59964	60854	57813	57073	53688	61497	61963	60950	57839	51511	52159	47695	49081	52520	54748	40878	46549	38501	36809	67127	65519	49748	53832	64749	70497	75451	65543	64636	62216	81916	79357	68016	69937	68598	71690	66929	64068	79916	83937	56506	58158	70707	73603	67235	74316	63983	70563	62207	63286	71633	72707	63396	60246	67582	67383	77697	77208	77738	73927	51966	55578	80730	77693	83019	83654	71389	71436	82257	83277	69605	73772	72940	75529	66401	63989	60483	66445	72234	70534	85092	83360	73572	75590	70034	68505	72559	67155	82623	80709	65018	59555	72874	70129	77239	78186	67409	67193	78409	69908	78571	79658	78058	75068	68251	75046	73363	80706	80397	78839	69265	69681	73105	73518	73134	65741	76321	74821	79126	77864	73137	71880	70532	69501	63442	60592	82198	84350	70759	70993	61403	62657	60483	58264	66386	75002	65241	69504	57279	60499	71363	76496	67323	68803	79805	74066	65327	64929	66637	68106	53180	54126	79851	83221	74079	81309	74508	73272	74684	74672	81640	81391	65888	71506	77883	76163	60181	63048	76004	74174	45126	47328	75061	76630	74021	74380	68771	65675
436.9772@0.89099985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21796	21530	23626	20767	70243	68984	14430	13646	13581	15644	9382	9116	84589	82983	9213	12033	1	9686	14134	11347	19375	18652	61220	57805	45923	46471	1	9250	93547	105892	81771	82940	70551	73800	20273	23202	78461	85777	65180	68511	15004	16551	58915	61442	22648	27600	21753	24642	1	1	20718	21998	21746	20638	23389	26996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.0211@3.0120008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25123	29274	34671	31471	31363	34435	59944	50677	39711	67166	44244	89111	58966	50490	1	18707	10054	21070	1	23402	1	20312	17455	25838	255346	18755	16865	21528	21927	24842	25670	13588	22599	28717	1	1	1	1	73830	1	8514	1	27889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20822	17675	27475	29548	117320	122856	79530	77138	15863	12835	20589	21488	136801	137198	12372	1	55387	58298	96660	106362	97260	114158	117738	117381	168591	173557	119803	129589	167399	168308	139526	145000	146019	148870	1	21756	114503	118147	173537	177336	97504	95755	196021	191343	52927	58692	44976	41520	27518	26463	29013	24983	22526	9505	49122	39886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.8421@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	114268	128332	116489	123645	212646	219495	108618	108571	115820	114861	85801	81696	240369	247072	61790	66890	92757	93922	120801	114866	135992	125788	218422	197923	176725	182902	90691	76961	211676	211633	178187	186565	202327	182904	99932	96451	209211	215732	194158	187808	95854	91513	179014	163577	122473	119768	121132	123115	78379	75304	103867	119477	112914	108487	128328	139451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
135.9515@0.8707225	197336	194328	194797	204640	169992	182110	209907	205785	194726	199221	164119	167338	179448	178542	185302	181127	212486	202768	186862	182771	171715	175730	213237	210951	183587	184272	193512	197010	221021	216557	117976	106341	109492	107411	119184	111544	113519	111159	107436	105300	113399	116281	114462	120844	113277	112316	113353	120654	129244	119479	115326	114130	112261	126382	118180	121801	109018	108019	169832	172336	150246	159696	227776	231819	141384	139704	153165	145793	130837	137996	336614	319668	147014	141596	137939	124716	129844	104125	126651	138382	221647	217531	194364	212374	116836	121175	288512	290419	243188	252271	249233	251865	126906	141521	269348	266961	232264	231686	142554	142052	206440	203938	167139	170938	157969	158773	123696	115212	164639	164465	151409	144080	168475	168632	118028	112141	108544	108315	103248	103529	106505	108536	112283	117138	125673	125358	114654	118753	126189	128045	113325	120205	126181	123220	115121	124239	115859	114919	121380	117171	115147	121749	127413	126036	111417	110043	119437	124453	105529	105200	116669	108182	111805	111665	123265	119449	111680	114621	107333	107312	123110	121777	106615	109972	102358	99933	123798	119083	128670	126413	121240	117558	138717	137940	127307	127354	114685	112742	132545	119198	117325	114168	125218	120500	115509	114607	137042	145416	119017	119376	122722	115945	131050	125647	119964	130082	130139	127666	133170	120110	116507	107216	97340	101624	122247	123268	104718	112086	127504	128679
C11 H5 Cl3 N3 O3 S3	52143	49651	41194	43999	68751	64655	41758	43276	60363	61526	72281	72426	52578	53514	31528	29365	53337	49745	48417	47187	62377	61378	28646	26171	61909	65207	52023	53890	32809	37089	105264	94991	110089	114767	122603	117912	126008	120826	85084	79158	118704	115059	97090	93445	51201	47846	72853	75084	103352	101465	59824	62004	82332	75679	149137	151456	109115	106347	108955	106996	81144	80501	101934	108227	102430	100907	105842	113678	83782	79871	87434	91169	95645	87660	113328	107183	110367	71666	50999	57746	47869	56455	69173	79767	65401	62696	78763	82262	84730	83005	97580	90107	81603	81813	107887	109048	101420	108237	97832	97838	105624	106289	97463	91668	100250	93061	96426	99728	85263	78084	96534	95086	119125	109563	94684	94251	109798	107981	116590	120508	116197	111990	120175	122930	115484	112231	97260	96347	74985	74570	104435	105453	80012	72590	67462	72656	112193	108664	84101	88920	114783	123341	97988	96010	126900	131123	103580	102325	122549	118868	119253	114782	107540	104846	60875	61390	106687	108749	90283	96298	80166	78053	77155	81848	60000	55401	93182	87839	82180	91901	126203	112564	73275	76309	121005	118161	73660	68658	88632	94756	95935	94427	98052	95964	72961	72490	69630	71727	115739	113188	62605	61822	95735	95261	87081	91264	92695	83459	93854	94003	78466	78834	59022	58910	81626	88607	58448	56293	69480	68724
Phenylalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70464	61509	43230	44530	213458	212539	48898	46643	31715	38391	43009	51533	197510	197977	101961	71069	102222	114986	88173	90990	232428	267066	332401	348551	266698	225572	84150	74859	501602	532158	451629	457510	330307	336391	117207	125723	708253	706261	480466	496746	230412	226310	790204	746761	224080	217470	291386	301378	105608	101274	175460	181764	219277	219821	348866	309254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.883@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94874	97333	93662	83797	146542	143406	83833	81960	87071	87586	73335	74120	167376	163785	72757	76680	76102	77010	82504	88321	91678	86590	108312	113222	101490	111527	69828	68862	217390	227403	191605	206442	192006	210654	130226	141475	230133	238295	173620	170969	81092	82721	157056	166565	104862	99066	95326	103979	68218	64168	97388	98539	90068	90728	125015	112908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.89842105	25846	25464	26711	24943	19645	19852	23463	21898	24223	22384	23384	24775	24284	26455	30715	30427	24088	23288	22977	25053	25067	26243	25733	26800	20502	23247	30619	31045	26195	31347	24386	23492	29881	29291	21033	21384	21095	23002	41613	39949	28710	28259	18803	20645	19871	19871	31762	32073	12426	14877	13990	14206	36074	38096	14087	13852	31142	31323	159017	156005	194951	192880	131187	136845	194603	190187	168172	168324	182116	184698	90221	97532	256302	257949	180499	180475	165450	144897	199441	214912	164316	183469	158758	165231	204806	208761	90121	91963	123945	127471	124732	121061	439627	342344	164428	157786	169484	172772	253015	262397	213868	203259	257318	259542	226171	241905	200966	203770	282173	275009	243971	241029	88296	159403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
255.9159@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76538	70423	69985	75295	77404	86939	69024	74486	84659	93226	65066	62395	77724	86477	41967	42417	69782	68760	90203	92584	79060	88202	82151	91960	90180	82592	62573	63750	93234	103732	77189	87975	97202	77080	89026	78104	79387	88636	75451	99149	54442	58585	68721	81636	59297	54544	68146	81735	64389	70519	53897	44636	60340	55036	76782	72265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
119.9363@0.8637986	169419	163118	180171	176096	168454	162786	170683	171911	178629	181964	177586	177297	181729	182142	153674	148365	172916	172118	162606	170372	152381	154647	162608	166930	169280	170968	168773	162810	169319	175228	177699	179275	190011	189124	181211	186623	182929	179939	172323	180628	182891	177519	174055	172427	171522	162616	175089	173457	166119	168322	123045	119420	184209	178709	199108	184589	188477	185231	54954	52070	55225	58547	90837	88657	48770	48483	48481	50723	45953	50432	121015	126682	42031	38021	42699	43038	44453	48344	64578	65370	112035	113752	95402	87666	50122	49043	135496	127022	99793	100372	106510	108344	64304	62835	98636	98300	87116	85395	51052	45011	76955	76229	55371	52984	55774	55538	43511	42080	54943	52399	50985	48229	61042	58424	26291	26385	23698	23216	22634	22741	27480	28638	21951	23651	30085	27188	27861	27630	28060	33765	26317	26368	30135	27763	29215	28579	27277	25003	27250	28577	28170	29383	25364	26344	24385	24326	24237	23815	24261	21860	29578	30439	28203	23633	26228	28219	25599	22057	32607	32134	26078	30014	24134	22465	20730	20075	17820	19975	17942	20726	15429	18543	27801	25228	19024	19947	22998	23530	20997	22254	21944	24277	17280	18552	30640	31897	41280	37958	20366	20530	32911	30183	34871	33588	20472	19978	33191	32927	19293	19448	29451	28673	18030	20668	27731	30169	34529	36704	27647	28480
464.9734@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32794	26895	23242	24355	74704	70588	11626	10090	17272	16363	33483	32474	112618	113991	29510	29364	22363	20849	14089	1	11589	1	68187	72288	59791	72179	30802	34146	141212	141915	118320	125827	145207	144272	51903	68101	158451	160661	135174	139665	20477	18534	106655	109025	37350	36358	42681	39443	29922	28688	49815	45193	33522	34120	58916	51394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
532.9601@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30844	31189	28842	29385	90111	93303	16089	17985	20534	21202	30306	32711	131942	125416	26912	28930	30689	27071	16084	9925	16353	13263	77610	77314	67333	76096	30714	31793	155009	155984	65412	142093	148785	154600	52069	70607	170563	174042	163896	153987	27460	26341	121908	119095	45269	43992	49520	48096	33888	31250	45994	47052	38137	38757	66508	51183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
451.8538@0.85938084	192994	184349	168937	166026	226438	214667	169752	162369	183232	187241	212622	205899	199958	204510	164062	166908	169350	184486	198745	198694	216299	215807	135955	136144	200184	211458	192503	200743	146379	152977	311377	317344	333800	337677	344094	346468	347585	352356	301007	300532	330552	323218	310549	309692	273470	275861	289372	289091	325479	319835	224930	222793	296980	297612	379429	372681	343894	357118	117052	112486	90333	95305	116154	112418	113083	113651	124046	133225	102715	89478	86864	88891	75320	76060	118561	123884	116363	103013	86128	74342	63040	66624	87574	79313	75770	79776	74919	64984	77794	66977	66533	93198	54892	54421	88315	79892	85936	91348	100843	96387	89455	82727	97061	94404	97921	108652	120574	104862	75758	81079	103282	104549	114699	106311	52613	50181	56104	55463	48268	50036	53920	56873	52720	54186	49516	53333	48175	54065	43715	45447	56411	51459	46787	49000	49221	44840	57310	59009	49726	52670	56006	54511	51481	49452	51778	60315	49677	47721	58024	55346	56556	56168	50493	55126	35032	36655	53192	50251	51800	50853	45979	47373	49438	47869	28236	25935	35316	32307	29836	33292	44665	41049	32895	33216	39449	38083	36382	38362	37840	35027	36492	36147	36871	37906	34153	33418	34309	37429	40674	42075	31411	35331	42455	41483	35449	34187	36315	36722	36057	34950	34937	35580	32270	34299	36064	35911	33880	31858	30838	32869
> limit nullnullnull 0.8349462	31733	28339	27102	24847	53038	55718	23943	22692	30234	31980	50858	50306	41093	44250	38650	38852	26470	27811	34411	34128	63394	59609	19270	16920	43058	41526	38782	39205	21045	22251	170104	177644	172446	179393	192050	194572	188209	191968	168570	161147	177430	188422	200880	204445	195519	186096	168450	178390	218055	216509	214522	212221	177937	173629	239823	235820	176500	178665	25985	30348	29606	28432	11410	9079	42791	39741	37569	38596	37033	43279	1	10334	62933	65233	82452	81472	46230	13928	1	9381	1	1	1	11035	32469	35994	1	8604	1	1	12108	1	19583	19733	14717	15830	16046	12828	79519	77491	18435	18867	47725	45580	48684	47045	105638	102651	48640	48713	60359	58334	60967	49788	106357	107291	114984	109709	89544	97684	101895	103194	125109	131077	102727	103183	107938	109563	97497	97516	104931	103012	93648	93479	98724	96059	97422	105086	95259	96367	101988	93547	101782	99165	109808	116665	110670	112324	127204	127529	103664	103033	116270	112580	77279	78117	128061	124635	71322	72567	102058	89939	109588	119526	111534	111222	120451	125872	103333	104994	164083	162001	68811	71637	119490	119567	119638	125963	138034	133498	113397	116951	158666	161164	82679	83627	48450	51894	128875	127889	70551	72675	62861	66342	139524	137578	62525	66346	134165	134039	86276	82775	174964	175970	92325	91279	65928	62338	80347	83704
405.8923@0.85842735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89188	85821	87735	99247	136341	136892	83971	90155	84904	83395	63955	56270	130917	123157	51790	57432	66445	62831	81276	76417	98760	94642	124383	125670	114228	128719	60289	53119	120746	119965	117030	136232	139666	119910	84145	94924	147575	157219	128643	147458	80738	78751	133964	132590	93916	95516	99539	95195	50775	53017	89483	98515	85620	87457	112170	112548	21426	21485	23556	26590	27063	27332	24867	23555	24872	26106	25937	25866	24141	26776	27643	29682	26307	23679	26351	24536	23311	18493	22156	23731	29432	28934	22465	23456	25499	26673	27122	25825	24531	26032	25419	27194	28652	26387	23723	21481	22006	22028	23873	25529	30381	23820	26018	26407	24402	26600	12052	8376	11846	12559	9545	7768	17615	18679	7930	8227	13488	11748	14810	14801	13358	11118	8526	11305	13787	14188	1	8606	6462	8001	10871	5742	1	1	8105	6808	12954	12806	1	1	13032	11891	7318	8773	20274	20368	9131	1	1	8785	6596	6575
C10 H13 N8 O4	113835	110600	87825	86005	63500	55224	81258	76886	71098	76467	56945	56600	68005	73736	59550	66408	99433	99529	67196	61820	86977	83088	82076	83271	64287	65205	78498	80262	117951	123577	17172	17728	16022	16441	9729	11968	8474	7196	22501	22922	16064	14715	8263	7294	19121	21325	20352	19295	1	1	1	1	19842	19854	1	1	17304	15983	218023	219728	141436	144702	241881	234121	88190	86185	117536	119300	60253	56989	57682	57547	124225	126651	138021	133103	106141	102583	128147	135000	49136	50770	187241	187358	75202	72357	77833	74845	275106	275854	46213	47267	65522	69181	191385	47569	205195	201054	197056	200079	300525	293867	101213	106930	127376	127819	55682	57370	257298	262492	211901	210364	183737	154520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
239.0309@0.8449998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7321	7247	1	1	35252	33171	1	1	1	1	1	6961	86924	88673	1	1	1	1	1	1	1	1	43815	48173	30088	34235	6999	7325	116509	117423	73319	67767	97237	96094	15131	19977	88567	94083	56650	60189	1	1	37264	37877	1	1	9690	7173	1	1	10433	7783	7217	6286	10113	9262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N S2	4342	40059	100878	1	11183	71093	8881	6492	30031	1	9400	61875	7342	7850	21734	37652	23314	14515	43525	19262	1	9241	54772	1	1	1	122779	28499	7311	9653	52919	132273	157010	24047	182531	1	147522	162158	36104	33418	126306	145524	151255	28816	17409	1	43056	87800	51904	141487	170295	87094	125149	137748	111003	48544	20700	43792	51418	50460	33911	34965	1	59391	28801	21611	9133	27539	22080	23263	1	1	61860	179160	68190	98609	53230	36405	52033	1	59565	45597	1	6464	44272	133897	42260	42761	1	40738	39966	41509	101376	45376	45445	1	62112	1	70851	52496	42052	33778	64782	49184	38634	107086	54404	59492	53625	115031	41304	1	54013	61926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
261.8812@0.85823566	79616	70307	73254	76213	60842	69474	79461	76778	83052	75398	67180	65261	68941	73302	59670	62136	85147	81739	73759	71468	59182	56730	77392	72439	67284	67805	71442	70343	78102	76510	31477	35018	32794	32935	32719	27368	32491	31667	36448	32692	34617	33154	24734	27586	27345	28929	33442	35064	25091	22656	15257	16059	34113	37454	25659	29929	39460	36061	68230	68236	72445	66588	82196	82995	57726	61865	65513	64954	57328	58724	105353	112528	40673	36851	46527	48755	59576	67338	73814	76118	83976	81795	80429	75800	58411	57055	84897	93040	74925	78511	74920	78558	53687	42865	79118	84349	85028	83548	58190	57165	72800	66139	57880	68009	61779	61081	50152	51307	56790	57980	63365	53165	58650	61751	9590	13677	13107	9296	10983	12549	13990	13867	1	9685	13093	12990	12538	9037	12382	12470	13527	9149	15594	15823	13735	15641	13818	15076	12982	13998	15488	17315	11901	13484	11164	9965	12673	11131	10927	11649	15211	11313	11036	9534	13302	14125	8878	6542	18261	16384	12443	14962	9797	9493	7502	7649	6459	1	8153	7809	7026	1	16331	14823	10369	8275	11877	11820	7905	10139	8754	11201	8118	5934	10993	12923	19774	22022	8983	9609	12229	13178	17347	18409	11074	8294	15717	17015	9661	8664	11069	11732	1	1	11623	12565	13936	13609	14416	13042
C22 H4 N2 O10 S3	89970	89650	92778	91474	83746	80613	88936	91059	90833	92792	83940	80837	84203	91020	89778	84334	87843	90706	85543	87133	76628	76577	91223	96816	98022	96259	97226	94299	95190	99506	37683	33708	37250	36071	33441	29673	34546	31940	46817	41956	38469	37048	31458	32500	35762	34304	38832	44764	21342	22176	43604	41651	53672	51181	22680	23225	47687	54608	74344	78634	82638	83115	121439	117144	68185	60461	65742	66352	52346	51769	84193	92549	107050	98606	80539	81854	71899	38780	49017	50645	81882	84233	88042	96545	47734	52056	74870	76581	94001	97717	102737	96185	70296	121700	122852	125427	135463	135829	104681	106049	142629	139979	123231	122777	120964	121533	68168	67849	116634	113298	111481	110047	179027	135682	31167	32697	33242	30407	40263	39938	34828	33125	21334	24150	33505	34667	32508	34565	38982	33796	32906	34447	36180	37684	32747	34166	34819	33772	40791	34260	40749	37112	35176	34186	28278	30400	31703	31916	25722	26499	32602	37176	29682	27897	42412	43870	22072	23708	50205	49906	38686	36905	24346	23730	51206	46690	45964	46047	49630	48736	30407	29458	68118	60518	48854	49587	44427	48859	51194	46494	55907	55453	38224	40065	72317	69600	83173	80101	54446	53642	74993	72977	73324	76181	46687	44181	68781	75938	42448	48060	72303	68363	33432	33165	66857	66665	82896	83132	67854	70783
262.1555@8.5910015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33820	1	1	1	1	26791	1	73428	41486	42619	1	1	1	1	1	1	1	1	1	21160	47338	26944	1	22916	1	1	1	28759	24603	32567	1	25506	1	1	1	54939	63826	1	1	1	46240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8673@0.85792965	51702	51860	48786	58763	44648	37518	54989	61074	57001	55907	43263	40366	45835	44679	44041	51005	61696	48220	50097	53811	37859	29516	58302	59622	45346	46136	45736	44905	52810	53812	14712	18520	16607	15847	17658	11687	12386	14522	17242	17303	18340	15432	12381	11326	14920	14720	15471	17750	9974	8612	11682	7396	21463	15619	10525	9666	18436	19434	92077	87696	92588	81498	116649	114618	80526	74942	72752	78087	57782	63040	85849	97385	64947	68414	71712	69332	91455	65717	78471	76268	95207	97505	103399	104060	63300	56782	70377	76515	88909	91375	91359	98813	92840	100746	114921	104676	117406	137058	83294	78833	125946	119998	104767	112675	102501	104699	61005	52691	97921	100211	90465	87173	129316	120168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32395	54878	25348	33719	174228	173577	67527	48062	40868	48603	29651	1	108603	106044	42066	42350	40620	1	43479	43976	19115	40683	74878	17362	87881	125383	47352	48813	77496	455460	41743	291108	138641	31648	43597	77022	289752	286584	132232	183314	1	10448	251233	265793	97560	71440	1	1	35244	40980	67696	62088	105765	91721	1	61121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H16 N2 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91676	89228	42696	43198	85259	82611	42276	40478	29824	29906	25154	24725	130447	133636	44788	46185	40266	39244	50879	48083	38686	19027	83816	81431	114898	124169	1	1	109434	111125	100244	99694	65913	101758	1	25322	63965	66932	132741	134832	40130	38824	71156	70245	43137	43380	38708	39502	14196	13635	75076	75330	64737	63517	52848	46309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
539.8967@0.8378007	73198	76840	73462	76864	80786	75461	72512	69177	68148	81589	74713	77514	75750	70707	74275	76924	68609	74939	74264	72257	76607	74454	72470	69537	82058	85947	74970	84070	74002	77828	72769	62522	71156	73791	66607	67656	71456	66556	76350	76183	71762	69383	67445	65850	70621	65080	78118	67466	59749	68202	69438	70676	82145	82672	65218	70045	85008	79335	46798	47258	45474	42506	51928	47206	50078	44150	48506	43743	43450	43548	36307	38740	89147	92401	85851	78636	54483	22778	22837	24546	32417	36903	38475	45822	47497	52090	56265	47436	50476	57180	46205	44268	75149	85760	61466	57405	69433	69128	93032	88364	76842	75021	76300	89264	83197	80018	77264	71438	82417	82277	79441	86916	125280	97559	42432	46587	45783	44972	44817	51353	50048	43093	41150	34621	44770	42266	48153	43440	45736	46062	43034	42134	43811	46361	43569	45334	40870	41180	47419	40741	49049	49878	42250	45452	42573	41358	40452	42973	47089	42216	46727	44785	47756	44690	50654	50435	41714	42127	52479	52795	48342	44022	35741	41051	56428	52484	53756	52855	54164	51685	48799	49669	60193	59717	53724	58927	55671	53269	56874	57280	58221	62890	53604	53683	66002	67279	64674	59973	60338	56348	66297	67556	60757	66396	55551	52205	60151	64988	53611	56689	66496	63682	52082	53416	62465	66363	69623	68612	65942	66154
C21 Cl2 N3 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60413	49107	70496	80870	66536	60198	43901	39551	83946	86166	42646	29733	67507	45338	50153	77797	80404	36337	92804	58907	53237	78901	54595	34334	71428	73352	38572	64669	43556	47158	42583	61499	53900	43926	82450	51312	46606	52052	62260	54872	63081	38609	58184	73860	64820	46868	79924	101695	34666	36764	63981	84381	81508	92973	71181	62007	269163	270510	258183	264424	196016	196763	265746	257270	263806	268526	252561	255684	250567	256884	260454	255913	263069	265630	267355	259596	268534	266359	272002	266355	271596	254010	264614	261885	264199	273576	264797	265506	255620	249312	268161	268555	260114	260333	252580	265050	192692	189023	275235	269099	193779	187418	272822	269995	270984	262474	159073	160292	174914	170524	160267	157749	209206	202120	171383	177707	169452	164854	213867	222484	191918	183395	160996	165396	181258	181519	156194	156519	170338	179939	178185	165290	158522	158313	180708	180999	179651	180109	164862	155306	186517	186658	157929	154414	215745	216003	169437	164646	150276	157419	184618	177723
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13254	13818	17015	18711	23618	1	1	1	1	1	16721	17340	32489	21745	15243	12404	11149	14074	21427	39486	87846	44213	29106	99542	19003	14949	24234	24580	21981	19815	18088	15210	15259	21899	35085	30579	44838	40327	49008	22498	55304	20928	14228	22713	32592	25132	13104	16442	12891	45593	14306	21618	44376	43638	1	1	1	1	1	44120	30295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50516	1	1	31465	16033	1	1	1	27944	1	1	18839	49488	19511	28555	16829	15546	1	1	1	1	16564	38287	55773	39754	38713	35136	1	16315	1	1	1	1	51389	34862	53312	58758	11815	14643	24186	33589	1	7906	16917	25122	47271	20037	1	1	57692	14376	1	1	1	18724	1	31571	18900	43527
C11 H2 N3 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49190	22144	26780	26211	54393	54979	35610	33885	20542	18286	1	1	23528	70155	26106	24413	24346	25962	34711	33659	29567	29670	54447	60926	66909	74536	1	1	65756	66279	67651	67250	61245	66709	1	15325	55670	51910	90819	80377	33643	33958	65739	67324	30752	30350	27773	21861	11568	12300	38109	40000	34124	33106	33299	29547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.0202@0.9390187	59773	60447	57092	58087	81432	79903	49810	46009	71571	65382	81718	76063	68409	64174	47130	45388	74484	65620	59408	62051	72897	74367	33723	35711	81112	106331	68929	66861	45223	44341	124389	115743	104894	106843	104329	100481	124681	116958	75428	76448	117823	118541	112101	117956	110461	107350	91290	101007	136382	166820	169372	147310	101207	103688	165154	167828	118314	118966	99533	105545	109032	111653	111786	105431	115011	115646	121490	118254	124639	119021	93156	93121	136817	123023	132478	123630	114642	121173	122540	137143	70171	67141	103304	116841	133084	128383	64652	64665	78526	79851	93875	94772	176939	156084	128715	128660	134069	137990	168046	167704	150077	141082	163556	162955	162350	168496	182840	185517	132269	148340	158491	160534	173862	171349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.857@0.8592652	62582	52095	64331	58824	64103	63367	57381	60951	65104	60559	72781	61176	60619	71471	50338	50028	63562	67981	59745	64230	62545	61048	62570	48401	54740	61314	68792	57286	60315	54050	82442	87174	90851	91472	87154	88084	89907	92591	75910	76563	84696	84885	76742	73728	68198	63465	77331	70245	76027	80682	49449	49913	77080	74569	100284	93930	88448	92045	88744	90625	75762	80818	106085	126700	106602	98266	100007	106333	93477	81328	131905	165337	52169	58009	100570	102905	104817	132218	94431	96362	85525	54384	82601	106212	92945	89863	80202	103226	100414	92005	62945	103001	58724	55932	81075	61671	112869	104943	91446	94483	104222	54763	80713	76773	86869	82297	113863	116359	76954	76443	84363	87128	98681	95072	69765	68342	79715	79492	56014	58500	75720	74141	76163	82355	71474	73664	74877	72121	70966	67567	69752	74537	65493	64935	71589	65528	83966	78610	71059	73528	81462	82952	72279	71217	87233	88514	73685	77993	93495	87884	83758	84355	79477	79127	43292	46787	78496	81067	50301	49860	66549	66143	80434	76000	32228	31203	40061	39648	34074	34881	58869	62654	34184	34384	40251	42762	55082	55030	47136	45812	39457	41497	47042	48595	35865	36918	30369	34882	47508	44442	40199	33717	37259	40485	41158	42268	34885	33329	46118	46491	40275	35461	68844	69376	42486	40939	35462	32505	35163	36079
409.2261@11.63811	54282	60937	49447	51175	52175	51319	55841	58254	47825	54414	55790	54370	44076	69728	39793	52653	24169	51014	29838	48322	38048	37004	62941	70159	51548	57544	53631	51704	50607	54974	1	1	8947	1	1	1	1	7796	1	1	8530	8007	1	1	1	1	7864	6911	1	1	1	1	1	1	1	1	10475	9386	24993	24127	48937	38536	21309	21780	19183	20668	7456	1	27646	18845	47005	44327	17096	17536	25681	24577	18144	16020	53243	44241	61892	74954	121152	105383	46742	33315	40583	42080	68153	60587	66474	62383	14028	13900	81788	69827	121666	122882	44491	42437	79248	75624	59886	48933	67492	58664	18946	10416	36430	27854	50211	44751	38501	36037	1	1	15155	11511	9668	18063	20543	20816	1	1	17117	11126	1	1	1	45455	1	1	55271	27264	14505	18580	14889	13370	21500	1	37353	69302	18396	15034	15262	13881	1	1	1	1	14222	27386	1	1	23620	36222	1	1	21435	17633	1	1	1	1	1	1	1	1	1	1	1	1	21171	21193	1	1	23375	19502	1	1	1	1	1	1	15719	18201	13856	9415	15253	13492	1	1	11642	10706	16278	11280	17126	18489	1	1	1	10868	1	1	1	1	1	1	12931	12512
805.8121@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40222	43807	44031	45330	46874	52352	46869	45223	42395	49304	43498	42620	35610	40013	62577	67658	57097	58824	45437	26132	12737	16518	22147	29461	33982	40366	39726	41888	56275	55347	68300	72447	67265	64809	89608	103381	79382	91063	83813	83204	64464	63700	86614	86859	69486	76620	63966	69630	47112	45316	64145	67268	65957	63576	107500	75318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PPPi	78380	66109	78308	80195	56861	60135	76236	75604	73470	73029	64501	59447	68961	65638	66762	58770	80726	72551	66236	82124	56841	50321	84015	84439	75216	96432	62412	64617	80280	82911	57208	52693	68837	71003	59256	68778	78013	53438	57666	53755	60113	64321	63574	45411	43524	45223	48373	53794	44203	44903	31118	26596	60822	58403	81062	60644	63826	79967	83668	82092	88266	82778	84346	86673	94989	93240	97459	95740	81559	78554	81769	77948	64513	56210	87830	80381	100487	123883	90592	90795	76671	72628	79995	77205	77818	82909	73487	64227	70735	72403	75276	70279	65144	54414	75833	70788	68648	78916	79029	86782	75893	72411	76364	71715	74912	73151	87706	87702	73098	69737	81149	80584	81759	83711	11383	9263	10105	9006	15922	14247	12453	11813	1	1	15092	11337	11996	11516	13627	16167	9284	9422	14489	11458	12069	13612	11603	12915	12068	10594	15517	15280	13001	10467	11610	10719	10633	9537	1	1	13960	12750	7422	10034	17408	17698	1	1	25358	21431	13258	12837	1	1	7385	6897	8814	7091	8188	8769	1	1	17942	17894	7276	10191	9835	9702	7980	7505	8945	13126	1	6730	19320	18636	25210	26363	8669	7686	21635	19903	24132	21352	6656	9489	22726	19079	1	8553	16594	20588	1	1	15671	19065	24457	22841	19811	16723
193.0021@0.9341906	18553	19723	15994	17916	16125	23299	18089	17916	19924	24069	20466	18128	19401	177543	161626	16988	249681	231389	201959	22126	19825	21295	17885	20686	24271	24422	19757	16563	15928	15557	106125	109999	124147	130060	115533	115365	97927	97815	1	106933	134444	149068	1	97892	1	101190	108708	1	47279	44157	41780	45525	132338	124646	53458	52037	208334	205246	70996	60382	62147	60467	100122	98138	422358	42785	52425	60561	32652	31983	91315	91680	303628	293121	51209	49598	58294	59014	59326	65319	86581	66835	79093	76275	34920	34771	81246	70529	88478	86811	86890	89437	45569	72653	94572	100302	84456	92060	67271	62727	91653	81238	89049	82645	80044	69880	44217	39088	71871	64863	83112	73654	88165	88081	164680	166500	152726	150698	255425	259286	191609	161020	96239	103000	229319	181062	182805	180883	181219	187522	175854	178379	160628	193918	182425	187607	194055	190471	177871	187211	206803	214421	146644	166764	170567	138855	156633	160056	150419	148807	200557	203294	142276	147114	273791	273274	104296	112823	378873	315321	199141	200395	123573	105739	66685	66808	61501	64235	80369	80988	52635	51986	131760	131844	69118	69920	77173	77497	58164	68455	68160	76567	30171	54951	138474	124813	217703	200652	68888	74809	147883	122223	149213	171982	53957	61104	176747	166154	57858	54247	137959	149890	46722	38912	123939	132012	149750	155775	157171	144247
451.8754@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105351	107611	85940	90522	89660	89745	93330	101968	111493	119114	89884	79617	63923	65777	75988	71624	108666	114372	102516	88154	69156	73511	49141	47293	68063	63631	75750	69801	51803	46955	58950	48642	51458	67963	46862	49335	64692	64249	65473	68487	96080	90768	80970	75157	84751	85311	92207	90526	105019	103849	71882	74688	95787	94281	107685	103843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.9562@0.7918747	30027	25033	29242	27511	26931	24141	22723	25341	30845	35392	28430	30157	29520	31505	20147	18901	32535	34328	27664	28804	21414	25841	18411	18414	28626	29530	26467	25678	20946	21070	34909	31273	36392	35289	33981	34640	37040	35491	29436	31368	32314	36568	29552	29754	22098	23266	23416	26801	26849	27273	17640	16759	31457	31949	41455	39540	38921	37724	34989	33175	26754	28562	33114	31550	37049	35910	38235	39404	31196	30977	31211	28517	30581	28416	43051	43360	43081	41436	26996	31325	15572	16210	31312	28787	33780	34505	33395	30410	26747	27050	32024	30691	19293	18816	41354	33910	37533	33573	41286	38937	33604	34385	36017	33245	36218	37164	44144	42594	30344	29027	40290	37703	42578	41773	50312	50175	56001	53335	50192	54320	52229	53396	45674	48472	13063	44779	45965	44061	41507	41749	47242	46568	40781	40730	38075	42688	47046	46020	43586	45185	45355	42953	42790	40148	48172	47443	41473	45780	50299	47436	48409	46551	43879	39666	31748	29978	37502	37347	42300	41499	24509	33722	36479	34557	22366	21347	23361	20482	21924	22831	27293	31371	22676	22362	25871	22254	19724	25073	21679	21123	22074	21678	19249	21768	19637	20939	23377	21341	23218	22300	16706	17981	27391	26335	20664	20250	23045	23230	22785	23744	24164	25465	20178	17228	20572	19517	21664	19637	18701	17458
ADP-D-ribose	1	1	33495	35147	20773	22356	43711	43247	20226	18702	25334	25308	47244	46731	38153	39397	1	1	32909	30737	1	1	74790	74655	48027	50971	1	1	1	1	8901	9631	16632	17088	20053	21524	15164	14595	14336	15173	19034	18849	8988	10648	12028	12621	16332	13934	1	1	1	1	23117	21511	1	1	21125	19365	1	1	17606	17094	65045	65153	1	1	15338	12806	43670	42348	92967	92131	1	1	11313	11967	1	1	9888	11118	64494	62820	51469	54337	38715	37852	43665	39093	52259	52371	77527	76076	8252	9977	104405	98585	74611	78713	10975	12192	53290	54700	9325	9980	24690	25800	14487	16736	1	1	1	1	21380	22269	11333	10974	23112	22916	18404	18558	16707	17907	15210	15329	12397	12194	14894	14219	39965	39596	11421	13778	13800	15754	16467	15144	18067	17514	12025	12987	14063	13264	16474	16559	14521	15193	11143	13329	34422	36537	37998	40918	27753	27748	12970	11441	27975	27632	24308	26237	10239	11092	32205	33796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
151.9476@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48625	45049	42172	45043	88907	85864	37571	40941	42793	39075	35162	34366	106171	95581	48555	44546	48102	46539	42582	38831	32606	34043	63902	67774	63789	65864	33124	38131	137733	126299	115151	107847	122387	122259	92320	93853	136922	132474	95993	99501	44891	48888	94861	95710	57607	63283	58895	61186	45359	47008	53241	50702	51756	51352	71718	69197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 3.193807	55142	1	12689	1	1	1	1	1	1	1	44071	1	11459	1	1	1	1	1	1	1	1	1	33922	98690	1	1	1	1	1	91188	1	1	1	1	1	1	1	1	1	1	17426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44572	30571	1	250879	1	75264	255227	186456	1	216633	12185	1	34712	132219	13553	206887	69796	1	76157	78499	8234	1	1	1	104142	206450	1	1	112608	1	1	109344	1	56797	52077	24293	1	1	218874	56042	90015	98785	1	67500	55336	58961	28484	48661	1	1	47025	100904	1	1	107246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
121.0465@0.6159998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112635	119114	85132	102190	123205	169105	180307	139169	109049	100057	169880	146542	153022	142577	103561	428110	135469	1	86410	67969	74199	51884	56944	27128	57728	1	20011	1	50813	1	539130	1	1	1	60864	39930	1	50244	47657	33302	1	10879	1	43937	20861	35099	1	36656	1	1	1	1	1	19493	615927	69120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
373.8737@0.8757612	52576	50823	63080	58049	54586	50495	58915	59062	61827	55975	56895	47963	59715	57086	45001	39902	53740	61528	53306	52876	45000	43034	49519	57616	53618	54658	49227	51377	50428	56451	55922	55197	63491	68987	56989	66483	67404	63987	38085	45488	63141	58286	40307	48130	26188	32079	44579	40201	53965	58071	27571	33338	44080	39837	74011	74091	55767	55195	88836	95174	86018	73128	117485	124187	78916	78912	85382	87866	69299	72448	120147	122247	65995	59576	78311	77895	82916	67641	58430	59239	83860	89471	93935	95416	57645	51769	124595	119042	111874	116763	121002	122895	72026	72361	129198	130732	121326	112063	81640	75821	116502	102033	81843	81693	73719	83638	68019	64544	71279	67053	75412	71227	99625	101459	51664	57438	64258	75180	80763	77009	72894	74064	72970	74333	73809	71324	63272	64255	52884	45127	72954	68612	47079	53312	51716	48274	68460	73355	54822	58085	72577	77524	62171	53975	79601	76609	65586	70041	75235	76556	74536	72576	68720	57966	44048	42196	62376	57076	79508	74491	52800	50015	50640	53159	38544	37070	51387	50991	55154	49859	65581	69894	61427	61009	74616	67510	44990	44942	52665	51543	64795	57818	50022	52073	57149	59859	66491	73008	64136	69022	50382	53530	91292	85699	51560	51155	76450	71892	52743	52353	65975	66900	36848	39193	60191	61730	58469	60799	51599	54699
2-10-Luteinizing hormone-releasing factor	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8150	7910	9279	10414	43650	37983	9842	9806	12941	9738	1	1	95978	101407	1	1	9457	11015	11919	14394	14712	12997	63169	61287	45651	46397	7980	1	108954	110371	81794	77941	76241	74132	1	1	70615	74567	57943	54821	8095	7792	34612	33566	11923	12429	12732	12121	11254	11359	8089	7292	6892	6629	13068	15588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
324.2275@13.378621	68468	503733	56707	41157	47337	40067	28626	28076	49460	222467	30419	37905	86822	40037	29817	47362	86525	1	56443	27104	44245	24642	108240	54590	60295	44308	50308	47097	59634	35158	269467	42181	42619	47254	37755	48209	34597	36985	161639	72884	50748	72374	33062	37773	70496	89614	72550	48094	46477	49843	37735	38113	514321	98260	58556	44955	69918	117207	10760	8956	8376	8176	13065	12440	10235	9425	9168	11074	13310	1	13574	12590	12558	16973	14583	16072	10386	9779	22014	21112	31880	38401	36818	21945	16275	13208	10709	11797	12654	13128	16193	13890	20192	18577	35459	26780	35340	23719	25659	18335	48794	33135	23420	19616	47765	28884	21034	27531	41867	31867	22336	25206	131327	26500	33430	38514	29990	32078	36644	37953	33340	36234	28921	30552	37866	39609	35208	34617	38880	36867	33545	33054	45741	43827	38388	34599	38952	32222	35619	36789	38734	41064	38359	43469	30877	31100	37268	34385	30963	27728	34144	41531	33825	37487	53822	51880	34940	36675	42332	43299	41961	43092	32916	34690	47875	54418	61531	55557	50525	46999	47261	43381	45298	43561	72766	66006	43459	41320	40632	44146	55326	50605	53430	44232	45097	43613	46274	42978	50107	46077	52062	46164	52393	45967	47944	48214	54105	47838	46579	47236	69622	52505	48542	49802	55612	48975	65148	68602	52985	49775
441.8295@0.86211663	100512	97876	95397	105189	104711	104015	92765	99228	99877	104817	101125	98019	109082	100534	87634	86699	105851	101516	94063	96836	100383	92748	99854	99262	98990	104958	95196	96383	92585	88935	140653	149570	158464	162439	155681	150441	156808	153805	138329	138992	149029	155691	135365	135159	122565	128069	125094	128427	141151	147425	89195	89385	129278	134323	158925	173782	159402	165674	130373	129418	108561	106907	110234	107630	129630	128145	133713	137571	106343	97802	93623	91701	82070	80306	137051	141348	135452	120307	102780	103919	65980	63657	93108	91509	96984	86914	67790	67795	72010	74283	73647	78781	47092	51688	82134	69979	93016	88533	127351	124037	88460	79211	107827	113793	118013	117818	137446	135301	90110	92319	115508	122572	130895	130253	49879	51276	62620	60061	51155	53700	64366	66179	53772	50804	56643	54686	58073	57463	55331	52199	56442	60157	57882	55862	52843	54829	67226	66149	58063	57844	70707	67398	55130	56719	68857	68243	59209	56648	61555	65336	66188	61641	54116	54888	36047	36431	50242	61035	52077	57882	54447	59759	58421	49852	24006	25559	29106	31841	27242	25226	34727	35628	30753	32686	30482	30977	35781	37731	28825	30812	31315	34640	28243	31295	34601	31235	36936	41103	32965	33245	29622	29401	48640	45326	30984	29518	34672	37592	29754	29851	34055	31862	36837	35414	32008	29751	31520	28999	29779	30672
255.9098@0.8574874	85523	92523	112780	95231	61066	66850	77627	95874	78668	100314	70644	73434	69617	92495	51970	68931	66011	78407	86261	77183	73920	57206	83759	110364	75025	79029	89252	57758	89205	105449	74846	78402	91656	83893	84039	84053	80085	83975	69585	70411	82704	86493	74423	78467	63841	63082	65637	70340	76361	79422	46798	52203	68664	71325	98583	95962	87068	94078	35907	26328	34999	36722	49527	55891	21748	24919	39766	36891	32992	12061	49422	55872	1	9754	24719	22147	34282	37694	40257	46787	60708	74571	62245	63911	19561	24126	66884	70097	47180	62649	65685	41596	57117	47856	40966	46055	41158	66760	16008	27482	41730	59134	30569	28345	31870	51405	9760	9810	29022	19105	16277	15387	22231	30194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
GW 4064	7632	8793	21845	24312	14419	12528	31599	32777	12847	13294	21262	23187	23559	22173	20103	21554	9502	9073	18110	17196	1	1	45805	48625	28373	30068	6972	7079	9801	9874	41109	37634	60706	59336	14309	14516	42071	40132	49260	50475	76678	77882	34322	35413	32650	31065	70754	69219	12388	13453	13618	14570	67191	65576	13055	11251	122889	122469	1	1	18084	18504	54714	54049	6249	1	11153	10622	15627	16068	103864	98751	1	1	9616	8696	1	1	12269	12786	60623	58581	30197	29460	16994	19185	68255	72565	49534	49767	80820	80741	9022	10669	84663	86420	40977	42440	14805	12621	27059	25586	10600	12870	14363	14433	17477	18872	1	1	8087	8973	16295	17419	77135	79905	89537	86277	85040	87997	95555	94911	34576	35539	98698	97513	95649	97653	78078	72545	86893	87276	96674	94409	76792	81955	66284	68969	89336	87363	93316	96529	80197	84628	82591	80894	89667	88730	52292	50965	88514	85104	61910	57664	67386	66153	47296	42174	135272	134378	115187	114826	47019	45898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7224	6518	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6959	6851	1	1
268.2401@12.964891	27742	21209	12763	7785	9579	7656	1	1	14827	9452	19339	20136	33631	18791	35876	29473	88960	35106	36789	20987	23687	23694	1	1	14571	1	6499	1	1	1	20410	16658	20464	21531	8686	1	18914	25617	8674	6003	6480	21821	23852	21010	8054	41683	10932	44289	19103	13191	1	1	10548	11810	11115	6391	78708	68613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25334	18285	111754	39364	23032	1	1	1	1	1	1	1	1	1	1	1	16770	1	16698	1	11263	1	23068	12265	1	1	75346	12373	1	1	28683	7621	1	1	31800	1	1	14105	1	6486	12751	12547	8864	1	1	1	10051	8666	8188	8545	13478	13592	1	1	22682	18368	9344	1	1	1	9095	10063	20842	24296	14787	13155	1	1	10183	8939	1	1	1	12284	1	1	101930	79987	1	1	19543	19949	19123	15715	1	1	33212	36870	33553	28597	56789	35182	33167	15320	32610	13286	132733	115152	35550	16554	11717	6422	22523	20414	14323	11562	28717	8609	42414	17603	19292	16222	19213	13162	12684	11602	16974	13579	37081	11142	14440	12761	127808	19079	16269	11112	32691	15829	51782	72017	33616	16596
665.8359@0.84620047	41764	39547	41026	41124	40244	42418	48847	44233	44910	41598	41414	43336	39805	46494	38326	41312	41429	42754	43420	41004	42580	34621	38902	41430	41503	41380	39158	40890	40147	43407	27044	20327	29641	27605	32171	26887	29133	27259	27235	22895	27120	24881	31122	25195	24154	28985	20939	30955	25950	18381	19930	22082	26667	27375	20091	19494	29315	29043	102765	102055	90633	91638	69031	74279	102659	100305	96390	97102	86698	84746	46430	46849	93501	79292	95674	95178	94605	66065	56834	62572	46206	48445	66219	73116	78771	82512	33715	27035	50071	53805	46793	48508	71091	68598	56409	55867	69471	76314	104665	107342	90710	83216	112789	113192	107695	110167	84130	77109	108328	111499	106097	100000	103173	114901	16074	16546	18325	15830	20278	20011	16897	17409	13284	15621	16885	18629	15150	15978	19486	19140	16175	18770	19929	16525	18785	19843	20229	19240	17435	19376	20135	20903	15807	18988	16075	17792	17398	16826	13964	12875	19789	15111	18952	15161	19160	19447	12807	10068	22812	23036	19015	19469	16694	14452	17651	16490	15293	18537	16965	15650	13943	14177	21548	20036	16396	16739	17426	19214	17143	20382	19336	20546	14722	15240	20623	21931	22015	22620	16797	16863	23206	23382	23204	21321	17482	14898	20856	20410	17820	17926	21925	23724	16518	17011	21585	22328	24264	23308	22046	23782
577.7984@0.85463315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85599	76741	83261	87393	83041	78229	87989	71158	85548	86567	66210	68853	80086	72366	47358	47939	70761	64752	81840	88589	88150	97590	81415	79409	76634	81483	66324	64351	67841	69514	73636	62592	65511	66025	51464	50187	63960	76532	73408	76035	77818	74721	77388	68037	78038	78869	73717	78059	65087	63391	75459	76724	79209	75370	89807	86070	23810	25569	23428	22435	23544	20438	26054	24143	17744	19822	26429	23964	26914	27182	25782	28319	25860	25353	27233	28802	28728	24738	26904	30418	23706	24757	29082	29716	24601	26825	26000	25835	23930	23652	23097	24145	27332	27346	20903	24397	22267	22854	21082	22609	28333	28128	24681	27375	22252	22078	14103	12047	14004	13563	12303	13397	15373	14725	18392	19949	14323	14215	20865	20932	14109	14815	16090	15812	11600	11232	21705	19570	22827	24392	14338	12842	19498	19876	23973	23531	13450	13566	19140	19869	14250	16690	21798	23755	16785	16193	19379	18885	18001	24651	18519	18804
591.3486@12.875906	158892	124607	21016	28220	19271	16361	14830	1	57719	30109	52531	62744	229428	61991	178135	114627	629580	90411	115986	64829	83681	111386	1	1	25762	1	16699	1	12750	1	12275	14780	14816	13544	9950	8729	17212	18086	37098	33225	20221	16733	17229	18781	11041	6746	44615	25565	18032	16750	1	1	41822	21089	15322	17678	15864	10177	1	1	1	1	11835	1	1	1	1	1	1	1	14031	1	1	1	1	1	1	1	16642	11742	275756	63543	13955	1	1	1	7025	7806	5898	7324	1	1	1	1	51737	14704	29671	1	15251	14985	20950	31532	1	1	66763	1	1	1	15067	1	1	1	32390	28068	1	25125	19369	17481	12859	22945	18521	17792	1	1	22567	23516	23519	11144	16309	17228	14571	15482	44051	40598	1	1	23803	20224	27186	29435	40998	41895	25874	13196	18828	18248	48606	50933	39713	34852	19411	22593	23763	20589	41729	31681	1	1	21606	18986	25390	22202	1	1	12838	13254	13381	14170	21027	1	1	1	11085	1	83335	55689	13527	11882	17040	16646	30205	19107	28847	26988	21846	16777	14829	11857	22401	21393	14182	19259	15640	10034	27233	23824	18611	13467	21647	20479	52808	15554	18417	18715	20638	14553	29877	45984	14571	12172
381.8745@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94548	90851	87752	86746	73963	67926	88127	84753	88636	87677	82956	76691	47968	58289	51064	45461	73398	66273	74010	103398	85767	98198	58026	44328	70736	70134	70421	74870	31735	31445	47396	39547	46382	50621	38011	45595	55097	57536	54987	58142	73683	69407	70663	64319	75150	76327	71266	74354	66899	65773	77271	69380	77038	67154	80335	83285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8181@0.85590434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73025	66494	65921	64820	81921	89432	73623	75881	78408	72284	80213	73574	112211	112496	37600	37978	59847	63905	62758	85980	81435	75861	77407	71675	74272	73405	73758	68684	105838	117280	89339	82336	94950	87155	41459	38163	89502	90787	77017	74261	57593	64489	64096	74146	56456	61207	57281	63871	60729	64621	55351	50776	61419	59116	59166	69052	8539	8808	11325	15265	9189	8152	14995	9768	13050	12793	11659	11439	10798	12431	11742	12295	12313	10970	12236	10957	9319	14856	12516	11893	8910	9700	12659	14591	12585	13495	13890	12357	10136	12452	12751	12784	14391	9590	12102	14018	6296	7423	11483	13361	7482	9318	10858	11631	9458	11513	1	1	1	1	1	1	7682	7393	1	1	1	5929	10050	8534	1	1	5285	1	1	5425	1	1	6750	5548	6741	6097	1	6057	1	8291	1	1	1	6117	7416	7174	1	1	6728	1	5916	1	1	1	1	1
C12 H4 O11 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30187	32801	31722	34195	46180	44018	26654	28569	23434	30447	26816	21405	41772	41144	30924	29528	34691	35996	30446	21169	19479	22494	27299	27061	35380	32127	28642	24932	48725	43152	46362	46126	54873	48460	53458	49106	62347	57698	57005	56670	37837	38342	60113	57878	42492	43419	42903	41719	26647	25241	39597	48909	36889	42847	56439	47563	7418	8569	9114	8659	8111	9398	8232	9666	1	1	1	6673	1	1	1	1	1	1	1	1	1	1	6641	6856	1	1	8311	1	1	1	7266	8405	1	1	7048	6527	6790	8221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7528	6786	1	1	1	1	1	9569	1	1	1	1	1	1	1	1	1	1	1	1	9012	7937	1	1
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(S)-(+)-Abscisic acid	63061	81668	45326	26182	45756	25228	37971	48818	36980	36299	31330	35400	53226	60389	82330	109896	39261	55630	34315	44079	43249	45330	45689	62385	18799	22370	25652	23921	24055	32278	19945	27105	36643	27049	14277	11720	15616	33620	28881	24925	41422	37920	17080	8291	12720	30687	35305	28638	1	1	1	1	47149	42931	1	1	60053	33684	17228	19883	34671	35587	1	1	17976	28978	1	1	16395	17479	32843	29390	33494	29202	21539	19560	19703	18920	66105	65760	102269	105368	116331	89156	42202	41880	21588	26171	40636	45332	34466	38534	29951	38627	50462	53998	102990	109819	47587	48380	78352	88756	43482	46303	55392	62945	17886	13147	111804	104443	37301	37827	153248	55506	25076	32750	15045	21752	32414	47948	28401	26635	11728	23776	41704	31836	27375	1	20462	10753	1	23130	18964	37468	21891	44488	36429	22555	19569	14176	36368	1	48436	28361	25850	18331	19377	27406	1	1	24982	32750	18520	23624	49392	47290	1	14679	22165	19579	21889	12892	50137	39812	17444	16535	17328	1	1	1	1	1	31451	22070	72741	13910	51027	44028	1	1	1	1	13969	1	30606	29654	48269	55039	38555	26392	13175	16600	17137	28176	20496	21725	20846	28321	1	1	37166	22602	1	1	1	1	1	1	20443	17629
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734.2089@1.0449457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10302	12480	1	1	1	1	1	1	113029	114453	215139	216720	377719	373215	174191	179419	514239	500281	88138	89505	267303	274575	71743	75628	310050	321047	68409	71186	44638	48550	623896	626742	89914	90251	435871	443336	74338	76340	62736	64493	52218	52226	21728	25823	52138	50644	18425	21423	88342	87363	32512	28995	38267	35750	23059	21586	47694	45975	26248	24126	57761	59579	34177	38052	111242	107079	123120	124362	44859	44228	17718	21429	64785	61433	95846	95552	70372	68427	109105	104127	42193	44531	48361	49938	13835	12641	80661	81515	75791	75564	93905	83742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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681.3258@10.832342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8516	9898	1	1	26658	22376	1	1	1	1	1	1	41415	24952	1	1	1	1	1	1	11386	8999	145130	66668	34244	27402	1	1	32059	35047	34725	39987	42210	34658	1	1	45353	36876	57385	37313	1	1	48834	42435	10959	8957	23296	9337	1	1	18707	12813	9852	9175	13000	9203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9797	10556	1	1	1	1	1	1	1	1	1	1	9115	1	1	1	1	1	9116	1	18238	19441	1	1	1	1	11400	10705	1	1	14122	11584	1	1	1	1	9494	10447	1	1	1	8425	8269	1	7660	8831	27497	9565	1	1	14182	11848	28213	35502	10673	9604
C75 nullnullnull 7.528218	45851	50789	27254	23716	35133	38769	45815	44074	32428	30898	30197	33173	35074	31182	24480	24002	35609	31309	25844	21653	45963	47940	26782	29148	24857	26277	23239	26291	35014	31591	42797	44084	47611	57868	35404	33855	49132	45296	59848	58475	50285	50575	43038	47812	31026	41118	34302	40624	37640	27236	8621	12773	55844	47558	47357	43108	53461	54213	1	1	18845	19638	13362	9303	15228	10151	15640	14676	10940	10605	1	1	1	1	16136	16356	19255	18747	10991	14489	12814	13972	22444	24108	20704	13997	41519	43502	30657	30883	12936	10361	12860	16081	60256	50167	26540	23027	34040	38829	15346	20030	15435	22039	12966	12211	13703	11991	31888	29685	8845	8921	76014	51771	21544	25568	33517	25221	17750	23504	22164	23591	9340	19587	43466	16399	10324	17364	13035	20553	20132	25687	18645	12639	15609	35512	47716	49757	18107	25710	43346	51773	24719	21863	45042	42558	66456	70033	66829	68590	40170	41841	51116	43876	18738	12655	9456	19523	28858	29541	26756	33906	26400	26895	1	30509	22323	38836	14459	1	1	1	16051	1	34803	22831	19405	33587	22271	27404	24587	58781	26166	25252	39488	36926	42786	42590	51383	41453	42744	36516	38093	30211	26121	38714	28818	39467	28482	28337	26891	36618	41411	30235	25919	42661	28579	26394	31246	24394
377.9066@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66544	66798	70203	72429	69530	71019	87303	77522	81116	83514	78910	65348	80739	78510	61877	57607	77457	94778	82195	80622	57870	68054	56506	59487	64609	62415	63550	63936	85537	76264	83341	78962	76328	78942	67110	61775	96793	84240	82349	81592	71325	76969	80713	82574	63829	70093	75452	74507	75013	77473	71830	72236	76373	74249	85076	76101	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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600.9485@0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15298	14590	16869	15295	40394	39229	7795	7982	12074	14331	24038	23829	49122	49158	26472	23147	18401	19729	9135	1	1	1	24557	33754	28011	38766	26431	29423	48520	47914	58540	60015	75404	78107	37937	55401	83008	86853	98253	94441	18079	16640	77003	77062	26021	25128	36302	35029	27406	27839	34104	34752	29944	26791	47432	39292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
100.0888@5.8789983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23169	17212	40953	30943	87667	38757	48523	65015	62580	88823	38391	47845	28236	32265	1	1	159254	22440	34423	39173	1	1	1	1	54533	42319	29681	35983	24336	24693	21460	25559	1	39504	26376	41336	41055	61982	19269	236692	154326	36296	43586	44632	222956	31470	1	1	1	1	421269	50816	1	1	2307188	32919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H4 O5	855508	901132	758051	815661	601007	655357	688162	707011	808081	792561	643494	631231	990312	732225	966671	806395	567350	718227	864122	659753	536501	755902	781798	802793	791585	785639	785232	700066	670134	655221	1053827	1078140	392199	430169	1052039	1170804	1118095	1039071	850003	911551	311763	331375	537470	513700	775523	215063	335458	865296	332030	970029	638281	619078	1059510	1083695	1067677	1023944	1127036	1285009	1042988	1093204	988416	981471	1346642	1270948	1457656	1429727	1057704	1052644	40342	991151	224611	166500	954955	866838	1208207	1163527	1209713	1291060	1516375	1580466	639886	500454	1447778	1372494	1139918	1269449	830199	839601	684447	756927	288761	304044	853356	835856	456769	407841	1304604	1320969	988192	1013823	1515351	1459202	613902	610362	723956	587295	1236569	1230803	1065957	1048351	1110381	1054651	100146	1367011	13741	14032	1	12774	15273	18839	17394	11263	1	1	26020	7598	7602	13123	19839	16079	9616	12633	19576	35966	11244	11624	11936	15848	13016	19104	23862	12609	11278	7307	15955	14010	14711	14251	10405	11034	12276	14401	20939	19049	47110	47963	10950	11337	48696	51770	14375	20945	16833	10579	71977	74620	171565	171620	17021	18109	1	1	10927	14297	11710	18535	6846	20738	285798	290231	131135	128136	104836	100253	7052	7053	39094	49360	204507	203100	7648	28005	26906	16492	7535	18715	24896	24242	17421	16711	5829	16410	8433	7508	12326	6967	32898	17749	11447	19667
C17 H24 N7 O15	12181	11974	9941	11369	12325	11633	12222	11042	9975	10358	11471	11016	9919	10177	11109	10890	9526	10083	11839	10806	13693	12256	13424	11202	13586	12951	10948	13781	13143	13967	14457	14278	14284	14109	16265	14895	13737	14443	12768	11267	13615	11691	12773	13465	12846	13009	13717	12151	12206	16068	11532	12519	14856	12913	13643	15152	12822	13615	9923	9335	11034	11528	8913	10196	8338	9243	8096	9103	7668	10181	8661	9965	13433	12460	12865	14018	14422	12938	12491	13904	12433	12568	11107	12725	12573	12810	12019	10633	11266	13272	10064	11672	7924	13839	10400	13342	12942	12122	9817	12960	11818	11383	12663	12476	11192	10900	12398	14465	13567	10738	13176	13083	98048	12589	10411	11696	12214	11364	10004	10560	13266	12106	11226	10096	10259	11030	10803	10288	11973	10003	10500	11127	9931	9801	12698	10972	10831	10393	11604	10401	11079	9487	10785	11286	12123	11810	9642	11018	10699	11236	9408	11427	10953	10589	9478	10961	9304	11577	11335	11691	10126	11581	12082	9946	11827	12306	11384	12826	11696	12065	12189	12003	11139	11432	11410	11789	13009	13089	10593	11595	10457	9678	12299	11434	11406	10288	9920	10888	10215	10952	12082	10513	11030	10351	11756	10493	10790	9918	11084	12797	10057	11327	10966	11174	10737	11302	9954	11199	9637	10607
6-Hydroxy-3,4-dichlorodibenzofuran	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45028	42075	44549	43591	35076	32683	49272	44340	46384	43765	45633	47120	30170	28297	66898	56110	65432	58385	48981	33312	23988	28763	29542	27198	32861	34895	41797	44497	30775	34366	35732	36621	34667	36496	45399	52498	46273	45165	54115	49984	68078	66202	53010	54319	59287	59150	59888	57447	70715	71276	64122	60702	68825	66552	80803	67335	116528	120304	123444	128611	108798	121063	127512	125273	124903	122498	116147	113790	125833	128870	118380	121965	123412	122721	113312	114061	123554	115994	126334	118328	117816	117236	124978	128357	121258	121041	136591	129671	129722	126804	133022	134152	130541	129469	130382	132007	109461	102396	124642	132712	111609	117497	119275	122991	129856	130412	90601	83035	100688	94431	82601	89078	113904	117125	86886	83157	98161	97007	119673	115368	105951	102249	97803	96603	105162	102083	93051	92838	80167	82864	103207	99152	96411	87202	94838	90016	99742	99965	85935	89092	101661	95060	99037	94978	132660	130506	95672	93611	89186	87448	90692	93265
627.0732@0.894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10573	12731	1	1	1	1	1	1	16234	18482	1	1	1	1	1	1	1	1	8111	8925	1	1	1	1	35907	32271	18297	18589	12714	13651	1	1	16513	18314	8323	10383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
129.9683@0.8404568	358039	351985	378107	362861	260924	256577	401113	390062	358599	343637	257046	259998	291494	286650	312929	308577	370920	377609	325432	319792	242128	244450	419247	421343	300708	301618	306365	310308	383601	388300	106393	99443	104350	106193	95829	90727	95450	93504	119779	119248	106043	104200	90767	99022	99454	97046	112243	110307	79303	82848	111269	105776	126677	128874	86465	82263	116131	122030	207817	201300	198284	202435	393066	404271	152474	156660	161880	162583	147164	147204	538092	542082	182109	175804	137346	130144	148648	152338	191127	201970	389431	397337	317921	311050	128632	135705	576325	565797	470157	477824	481352	492083	343064	354358	526260	528501	408492	428181	159634	159060	362590	362568	214894	223972	216199	212870	111436	114014	199749	213458	186090	182624	254981	239531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Histamine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34882	40718	43986	40953	79587	69000	22391	25657	42705	40620	60015	57922	109611	115718	25602	23237	35491	36161	27579	41775	60712	57225	110584	96900	91324	88936	74688	68033	105087	103040	80963	85890	97587	105619	34973	35484	94632	88709	96825	96129	26788	26245	75429	69294	35291	36749	45661	46607	43820	46415	44519	50536	40446	41483	50508	52108	1	1	6431	1	1	1	8384	9139	1	1	1	6802	1	6802	1	1	1	1	1	6980	6318	1	6487	1	8444	8389	1	6612	6784	8351	1	1	1	6842	1	1	6567	1	1	1	1	1	1	1	5933	6785	1	1	1	1	1	1	1	1	1	1	1	1	6621	7884	1	1	1	1	1	1	1	1	1	1	1	1	7949	9304	1	1	1	1	1	1	1	1	1	7145	1	1	1	7328	1	1	1	6588	1	1	7386	6699
C20 H24 N2 O22	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91213	87142	89548	98439	105218	107388	125938	94538	89291	85636	99905	93630	113507	100621	67195	69348	53732	54480	64690	67509	71166	73405	92797	92548	77960	64413	67851	54106	50385	56446	54277	58483	66883	77981	38552	60578	73531	66317	72329	168116	55179	59850	60643	64260	57150	65817	70939	62353	59151	51793	72334	63731	59955	59241	121781	69889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
397.868@0.856047	72358	71125	72632	61180	65242	66896	60016	54984	70340	68872	71588	69176	72267	70387	51944	43797	81107	70744	71653	57172	60820	60103	44803	46000	60248	61536	63072	58549	47134	56202	74261	75293	81588	87836	78144	88050	81475	86129	55710	58974	74861	79348	59700	66325	42080	46177	58299	53191	82737	78856	38576	39412	60248	60664	94066	96386	84617	90042	55581	59214	50858	52577	72109	79418	36173	45994	50259	48296	34985	38468	97791	87494	34363	33560	30793	35712	38901	37168	51159	55528	74284	74383	69800	70936	30405	27985	67093	63729	70010	78128	75500	64454	48407	37423	70033	77917	64719	59997	40948	44113	72463	62240	46043	53973	49659	47976	31512	30527	47736	47680	41543	48158	45101	60146	38458	37306	38920	35988	19210	27045	38190	36882	38564	35686	35263	43144	35965	36872	35275	35559	29948	40784	32065	41076	39395	42011	39183	37061	38036	40285	35303	41616	36871	41011	32120	39731	33642	31687	37570	35191	37798	36561	35288	35437	19021	20517	39515	37991	25835	22238	38277	40346	34514	34274	8730	11001	12762	16171	16802	12556	22067	15228	17399	16254	18665	17677	23179	26117	18828	18755	11286	16033	16761	17638	10392	12278	18910	21494	17596	16302	13825	13276	20191	18213	19463	19835	11459	14241	18132	14071	6950	17982	19633	20933	14316	13908	10951	11866	11639	14133
C11 H2 N3 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40489	40672	42239	40594	83426	64978	30555	30998	26958	30683	38590	36082	99211	96371	26928	26499	104201	96927	116420	125822	96432	97514	62241	61761	76695	54793	29131	28857	81393	77657	65827	69863	88156	81041	24806	27630	89916	77120	73817	77192	36854	89305	71651	70824	43700	45537	124406	108703	107914	100706	40812	44008	31492	22759	63115	57027	73587	72053	95568	91123	86889	81287	98985	100260	93994	89033	92967	91363	82532	83937	66282	65342	84770	85691	68378	68494	69655	66232	98260	94485	79229	76540	102380	101236	71034	70657	106626	104339	81057	80426	102803	100370	93076	92186	89273	86096	49682	49014	82230	82373	82466	82458	73253	71247	66712	71646	41796	35431	41181	41323	19861	17557	64380	50691	10506	18147	60469	52686	25402	25626	41389	39298	28313	9230	47379	46888	23443	19182	28884	26940	48820	44422	27745	24276	30432	28170	48573	48661	27939	22031	43546	41727	33830	23925	27383	28411	23453	21886	33138	33569	28787	14892
112.0142@0.95421046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	353853	474154	495217	394121	669153	658290	442272	328238	437429	437620	389382	386439	746689	723189	440524	403844	371045	406832	447543	465527	537657	544188	675382	713535	662475	681504	413616	349545	878975	901185	733465	874500	873357	841215	490115	546960	1055160	1034056	918670	934230	499091	547253	824384	771857	597348	614549	625384	653767	493517	465609	647139	662890	606520	602090	1503027	782508	1	1	1	1	1	1	1	1	1	1	1	1	6284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14740	12989	9329	9711	1	1	1	1	8186	6846	1	1	14700	13712	8957	11059	1	1	14489	11587	12275	10673	1	1	14602	10601	1	1	15102	11884	1	1	17830	17616	17918	18614	18422	17972
Quinic acid	29531	23872	25762	27355	24280	20343	24089	28854	28725	27938	23717	21531	25411	23676	24852	23474	28512	27294	24867	27503	24161	26755	27500	32323	26936	29859	28379	33419	30334	34780	14274	13357	18081	16623	11817	13560	12619	12863	18941	23079	22386	21223	10404	10495	16789	16050	15824	22312	8197	9215	9146	11192	26858	22865	7420	9502	48718	56590	1	7412	1	1	7772	9067	1	1	1	1	7674	6365	18008	14634	1	1	1	1	20552	56436	67002	72039	96003	81853	56020	48415	36667	33271	70087	62196	38448	33077	33399	30254	6938	1	14656	15550	16099	13550	9456	6746	11294	9330	1	1	9801	7727	6208	1	8239	8634	9712	10622	17403	9673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Heptyloxyphenol	41165	32397	15225	13452	18603	9832	20547	23322	34934	28679	15437	16522	23333	23120	23928	15437	1	1	1	21176	21508	28530	19094	18237	1	13475	38429	30591	30347	34227	52725	47693	35460	38295	38279	39283	45684	40304	54385	58681	48884	49865	37831	36791	45346	48932	43387	46276	24050	22247	1	1	54763	55757	13393	1	41713	43146	1	1	8967	14182	1	1	10095	11559	1	1	1	1	9522	10500	18606	14716	1	1	22031	19433	19530	21827	24177	12643	8993	8472	1	1	49535	49799	43687	36566	1	1	1	1	56420	53558	25481	22233	55289	50723	31512	27644	22912	22236	7278	7958	1	1	31382	26510	14977	16695	102590	39640	11515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21718	25470	1	1	23734	22315	1	1	24712	21343	27074	30842	31258	36513	15242	14517	20343	21156	1	1	1	1	1	1	16225	17602	18276	19546	1	1	1	1	1	1	10783	1	1	1	1	1	1	1	1	1	1	1	11921	10031	10258	11966	13524	14286	9810	1	10328	1	1	12257	10515	10428	9956	1	1	1	13214	11099	11447	11008	1	1	1	1	10806	10743
597.7903@0.8549136	79466	76231	88007	83002	69949	71710	79588	79294	79106	79603	73671	68974	71742	76074	73184	67477	81154	77227	73165	74238	62588	60539	73378	82758	71074	69217	72080	70802	80218	86917	46488	47129	54720	56802	46379	50707	52854	55981	51988	52583	59743	48919	46011	46834	33464	37959	47114	46417	36627	36538	27851	28023	54826	54140	39959	36242	56592	55790	88813	90088	95999	92882	116245	107846	93106	92488	103916	96745	83237	81302	128530	136005	55702	61234	83487	82428	92611	108602	92875	95427	92619	94042	103252	99676	78295	79021	131101	121412	115016	131061	114377	117108	59239	58234	137620	136439	110097	109394	88455	72274	95357	95769	87069	85828	77243	77152	77124	76280	76703	80951	83689	79270	91413	89161	29793	26122	28072	32786	17491	26284	26130	26246	32679	29537	30696	24714	29647	29206	23102	30827	32571	23731	27276	27424	30703	30923	37002	32077	27152	30438	25061	37881	31178	25095	34930	35131	31039	27046	39084	31302	30866	35996	27211	27332	19081	18925	29900	29729	23992	24744	27140	31936	32894	28669	13822	10306	17151	15170	14626	14316	24725	21458	16334	14360	18689	17624	21163	20901	18152	18028	17166	12394	19299	16121	12820	12621	11398	13266	15831	16739	13397	14099	13170	11112	17028	18321	15174	15356	18587	15939	13664	9173	21705	24837	16043	15514	11358	11590	12880	14749
4,4'-Stilbenedicarboxamidine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17288	1	1	1	1	12574	1	1	1	1	17366	1	24543	25357	1	1	14281	24862	41660	43290	58836	49826	36840	32788	1	1	20451	21502	26229	26393	1	1	1	1	38311	29342	43983	36160	33489	35238	67837	86040	32907	35494	27342	29605	1	1	59444	47321	16647	28420	51692	30873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Oryzalin	19940	20197	16447	17565	17973	15982	11551	11881	15620	12042	16826	16827	11942	9123	24529	21061	35661	16396	16197	10677	18727	23310	13353	10387	21662	17044	15545	14754	15083	16081	10794	8205	8475	7066	16403	15448	1	1	1	1	1	1	17001	17548	13252	11374	10418	7405	10442	10557	1	1	1	1	1	1	1	7672	14354	11268	8835	8426	101704	80439	1	1	10746	9429	24734	24063	20438	17897	20228	18214	52918	52842	11847	11426	36493	34387	40911	31497	22407	21328	27083	24433	58263	52574	43889	44425	37821	38761	14255	14286	45712	41785	24614	24753	24031	25790	50502	47753	12594	12367	75645	71454	30896	33002	9284	9166	11464	12193	25099	63717	11155	12256	12431	12639	44755	40302	86620	96370	9997	12730	1	1	34981	28454	6517	6326	14325	13143	1	6820	27140	25784	14212	15218	76391	77181	1	1	64817	65303	6790	6224	12163	9680	11732	7906	1	1	25130	24365	10306	9121	18313	16516	9645	10497	6934	1	28992	24891	103386	98689	153583	150766	112495	99196	176899	171499	112792	109047	185788	178326	166583	160096	75485	74859	138667	126999	73016	68548	88757	76916	174317	169361	102814	106494	79191	79558	206939	197443	132031	127438	182874	156481	147414	137095	140548	74096	153702	147482	118830	102915	86587	113224	150019	136582
573.7694@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68471	72905	66191	66297	66659	68417	76843	85097	80563	79081	71319	71343	68175	71428	39608	40248	82771	76346	83545	100783	73676	62497	55197	54915	61138	58728	67384	64572	60103	55447	47702	49663	58384	51694	31737	31744	58790	53989	52119	61180	65425	68606	60537	58192	58077	57493	62931	68890	74527	79972	52828	52961	66508	65124	66191	67197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.8724@0.84073484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42158	36897	35381	39254	46851	40176	32186	33772	38831	30310	34843	38293	34298	31575	61038	59841	57861	51667	42437	18770	16629	18769	31320	33288	37432	39821	30626	37754	40046	37391	47594	54511	48827	53944	42937	79827	70574	64744	70650	72671	54594	54226	74524	74691	61785	66383	69967	63138	43465	48727	64502	59691	59675	61297	104185	72436	9826	7275	10625	9257	9448	12203	9930	11939	7839	7165	10723	12355	11665	12176	11538	12958	10182	9112	10617	12231	8916	9381	11499	9715	11672	13381	8313	11400	10203	11998	11611	11603	10403	13082	8903	5472	12557	12303	10466	10402	12116	13755	8158	8122	16345	15312	11436	8693	7262	7647	14889	14869	13947	12334	12338	15410	9435	7468	20447	20617	13753	13601	13461	15374	15770	14765	16605	15990	11246	12323	23262	22264	29782	29119	14374	13496	23585	24328	25264	25458	12819	13056	23271	26611	12666	14497	21271	22642	9019	9221	20378	19890	27465	29520	23066	23906
201.9573@0.85526764	68095	68143	64223	61614	55686	53156	66035	69155	70504	67497	57814	58388	59873	61310	57299	60180	66796	66026	64440	23129	51024	48405	63692	71505	56457	63049	62098	54568	66163	66997	35389	31759	41895	39346	37077	37745	35517	34071	37115	29382	42872	44556	15341	27182	24253	22733	26644	30847	12976	24514	24909	20829	34976	35195	30915	31217	47000	51351	66351	69956	54808	59738	64273	60644	55289	54434	54294	55276	35579	38708	61752	60243	48833	46308	50553	49346	56893	42690	47831	50123	58016	55059	65302	66095	35082	35506	51042	49155	59973	54516	56336	59941	34884	36126	65995	67402	71010	78402	57472	58041	73071	69513	72099	73201	65500	65250	33637	35579	59155	59218	64927	61047	82919	67663	20299	22463	26990	22268	28587	31754	24502	25802	17929	21239	23674	12090	27038	13135	8111	8148	10122	20672	9428	7399	21260	8483	10505	22525	10356	25582	14503	24897	22139	24237	23948	21205	10821	20562	22248	12783	28705	26111	22351	22692	28360	23051	18850	23220	45459	45912	21097	10980	16940	9725	26564	24444	23531	24543	23890	25160	21682	19689	41687	43433	23413	25776	25184	26227	25965	25229	29795	30192	22233	19429	47718	44514	52660	60244	26633	29494	50268	51407	49384	52120	25049	12132	47753	50057	24898	26948	42830	42265	15183	17513	43524	40155	46404	48762	47950	45882
532.3062@7.186496	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30061	33836	1	1	60908	55367	1	1	1	1	1	1	80623	77337	21901	23662	1	1	27019	28957	1	1	28062	26933	23252	23135	1	1	81628	84201	70089	68141	18074	17965	1	1	80018	79423	37530	39222	1	1	110866	111876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27708	35519	1	1	49627	47616	1	1	36568	31949	1	1	27730	28613	1	1	1	1	36220	33847	13924	10129	1	1	1	1	1	12879	48598	48730	1	1	1	1	1	1	1	1	1	1	1	1	30510	30087	1	1	1	1	15837	14210	1	1	31432	31949	1	1	20440	20453	1	1	1	1	12315	1	18565	12572
625.0736@0.8939999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26552	24385	1	1	1	1	1	1	40470	43416	1	1	1	1	1	1	1	1	23093	24494	11240	11857	1	1	96480	100363	51826	53690	37470	36354	1	1	50972	53091	24989	24353	1	1	14035	17177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H2 N3 O15 S	69671	68529	68843	72521	59109	60903	69550	67320	67663	70642	60728	61338	62672	62650	65637	66411	67950	69161	66023	64055	55754	54812	72498	73283	70077	73822	68905	68606	72712	76003	22777	20038	25904	25982	20476	22334	23323	20488	30087	29109	24847	26881	23177	18969	24332	23456	27032	30940	16100	18381	31746	28446	34493	36235	17958	16406	32818	32779	45084	49628	41535	42058	52724	49283	33064	35769	37392	36587	37425	35487	40135	37707	69955	60521	53632	52378	42702	22361	21670	22688	31771	33182	37790	39465	34202	33056	40776	42346	46872	48270	47373	49057	35281	78083	63366	66562	66701	66506	61210	60518	76469	73610	70138	67659	66798	68058	47642	47223	65702	69117	65040	66044	110902	74375	20642	22026	20454	18762	26857	30725	22955	23120	14716	14880	25240	23749	21666	22323	27382	26539	25786	24788	23459	27354	24990	22672	22301	23609	24730	25052	27112	25534	23016	21435	19156	19675	22766	22025	16932	17828	22420	20745	18901	19760	31434	30687	14660	15772	38599	35523	25781	24666	14681	15266	38034	34700	32414	31258	34146	35442	20265	20285	51885	51358	36858	34210	34068	34519	34440	34197	40266	44624	26492	29442	52931	53283	63768	63767	40462	36113	58571	57445	55072	56496	32256	32346	54160	55438	33684	33067	58228	52373	24034	18985	49090	49085	60875	60257	51493	51739
295.8315@0.8674675	93561	88995	82355	85878	94519	93047	81672	80928	83983	85321	101074	99910	105001	94154	94961	93023	87920	84392	79317	91597	109602	112468	66866	62850	93295	92562	101598	98617	79689	82190	145003	149258	139701	137946	141408	145536	143626	147169	131611	130572	130112	132655	152780	149001	154896	159543	147003	148641	173193	182819	81312	80081	133852	128573	175079	170901	115869	115208	84992	83525	75650	88363	43438	30803	89730	90107	97432	97821	107145	104453	36187	31742	78839	74223	103998	108340	81296	81579	81482	94299	28094	38762	43091	59557	101560	98321	17795	25405	26025	31036	29622	33928	51293	45414	28786	39299	48190	44748	102343	99693	59211	57319	82167	89073	83976	86225	122307	122938	92936	90773	92589	90105	93232	87726	74720	79274	84231	84399	50746	52136	81396	78882	94023	90892	82552	82857	84010	78789	83581	80076	79717	83402	81916	82565	89949	84776	86290	89785	83731	81608	79590	79722	81716	87036	91117	87048	83252	84713	97201	94950	81713	82727	90436	92025	54329	50190	99504	98028	47765	47607	86484	84203	100161	94858	45094	45705	50440	53073	46231	42698	69871	71947	39921	40792	49690	46180	71487	66977	57952	58001	42984	42756	59194	63822	40102	41501	36217	35462	51760	51766	38589	39061	43880	41750	57015	55334	35449	41082	57517	55811	40612	39510	77809	82799	42715	41864	31998	33225	44654	41164
753.3997@11.239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29215	13358	1	1	1	1	1	1	55208	25542	1	1	1	1	1	1	28833	60114	164513	76007	24005	32457	30550	23324	1	1	13589	18326	24764	14727	1	1	47613	22403	73355	26374	1	1	68706	32873	1	1	46212	1	1	1	50329	17682	1	1	33475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.8643@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72851	73592	75249	75863	60920	55087	80934	72507	78539	84597	64582	66734	43589	49180	73257	76304	86998	95472	78624	57848	42772	53664	37097	40431	54605	54994	63910	66059	45850	45344	46601	52670	50035	48159	63973	54563	62754	56412	67572	68250	99746	107766	74010	75967	104206	105895	91668	100037	84006	84165	87948	86931	98010	86438	123301	96208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Hydroxyltolmetin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45773	51400	106709	114377	48434	71709	61271	48547	53067	45937	71755	59765	181118	162667	111216	108474	97198	91673	82707	86501	219132	250716	341730	323122	368024	373298	96391	92465	114525	116602	203584	188648	155794	157258	111875	129701	212764	212057	369383	360041	146376	140117	336093	305263	192359	203543	219698	216733	113854	114556	176233	166778	233431	200782	252091	198407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H4 N2 O20 S	47848	48330	46378	43682	73067	71955	39714	38172	48070	48873	71553	68761	62643	62292	59331	59149	47064	43952	51438	52654	72205	75624	33816	33082	63158	66530	58622	60350	41342	40194	150047	151488	152948	153025	164284	161936	162144	149745	150812	148346	153337	157323	166817	164299	162856	165520	152503	153945	174888	188237	179201	172743	160163	166927	195016	185416	159177	159804	37925	41443	42826	40160	15444	13193	55904	56682	53073	53102	55094	54840	1	12026	81242	78995	92631	93570	56933	24446	12316	15302	8445	9741	12378	15977	47822	53284	14852	17131	12068	14149	10149	12931	13753	31433	12238	12932	16892	21612	88229	84605	27156	25159	58764	59833	63156	58179	103750	106526	61668	59646	70876	67227	85727	62393	95632	98149	102177	102007	93465	88435	98754	97821	113156	106281	99162	99061	95783	99209	93027	96336	105937	96879	88671	99182	95438	99047	99294	100167	96885	95231	94174	94618	102932	99699	111024	107546	101858	103005	106508	110189	95603	95039	107869	99120	73550	75211	109131	109213	77203	77903	91421	90904	97269	99669	117508	109216	122619	113024	105727	108991	152391	147592	85032	80820	119708	123479	125797	128753	131712	130945	116196	115217	140194	138832	92682	93902	66823	72059	121510	121049	87910	82441	80888	85104	130962	128931	79634	78530	127506	130046	92305	96964	155855	154972	100781	102332	81500	80496	96974	94406
C5 Cl3 N5 O S2	52599	56125	57807	54729	37277	38392	58363	61226	56033	63215	45188	37303	49595	54760	44811	41201	63953	52431	60218	51018	36754	35298	62539	62325	46059	56801	42868	49932	60698	53377	28907	35234	33835	31353	31769	32475	29731	35285	31464	31932	39054	40393	27083	31648	28726	24315	27194	31687	23324	21793	16235	15261	33772	33453	27317	30698	36523	37878	71454	70921	72500	72194	81953	87860	64889	64540	67713	66288	54068	57986	68363	62005	44159	43242	54335	55833	69089	69499	68617	73897	74548	72860	87370	83733	50550	51589	60004	59942	74440	61012	62711	77516	65277	60585	81755	76813	82256	84846	60458	68782	86208	86844	71814	81524	80604	76083	56531	51182	72556	73510	83170	68638	89816	87276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
869.8212@0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22933	23440	17032	16411	7804	7891	18766	23104	16024	19393	18667	14640	7108	11842	26573	36057	36946	44104	24040	8288	6492	1	8102	10110	13843	12082	20295	16014	14699	10812	14484	14461	11359	13885	15709	16118	15699	14263	18766	19364	34759	36975	13816	12589	28153	30108	25341	32261	34669	35820	25251	29322	30364	33009	37883	25843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.0643@1.5449991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7908	6862	8715	7780	24352	24182	1	1	1	1	1	1	26775	27537	1	1	1	1	1	1	8333	9970	26176	25150	24469	25230	6644	6715	37859	37375	30762	31100	29148	23124	1	1	35379	33608	32474	30744	7608	8577	30665	33953	1	7829	11382	12498	1	1	8427	7532	7960	8396	12211	10764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H2 N2 O20 S	232528	233103	216665	210625	352149	361338	182883	192271	238753	235306	323982	312570	285629	286656	270714	268895	199851	216571	248068	245389	361964	364271	157622	167541	292008	295707	280416	273766	192146	198418	703548	687788	704335	688683	738325	729248	736554	745251	690233	681468	725691	714118	767030	759502	746424	753549	705414	713363	800547	811311	842263	803546	739247	729256	859377	834550	700153	710547	164340	163167	185098	187943	87568	84024	235872	234027	220127	231844	226389	225917	65564	72753	375154	371331	428586	421445	269649	113739	60976	69040	54614	58856	70341	75673	207522	229155	74857	73255	78424	81429	76700	82098	154641	150925	92055	51806	116796	105696	400645	403125	138890	133872	281529	275329	283633	280304	472530	462776	281668	283898	317375	318469	359185	298202	483232	474660	496223	490597	433974	435214	446577	454579	533886	532597	461168	460501	477309	464897	443826	460918	462817	472053	438263	440042	437038	439402	456375	464663	455255	441496	434878	431156	452716	436619	484605	489287	480016	467273	511270	497242	455210	446330	480276	468142	384184	395831	498921	505018	365471	362023	448681	420209	473788	486785	495881	504674	529028	529311	479080	479478	630446	630128	366033	372152	528158	517119	525231	527377	581064	562460	498721	518207	626923	628995	412753	411232	301317	302257	545845	552323	385014	376906	352003	358624	561990	553139	358663	363035	564760	578162	432460	425896	670326	652538	438353	444984	373493	368336	418066	417936
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463.8638@0.86949277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	63252	68705	75403	70651	100248	100582	55012	56320	67830	66830	38948	35773	87348	92072	42203	36325	44992	38723	62056	51847	66617	69566	89241	90774	95022	100944	31300	38948	74041	71865	85016	88294	84178	94208	56980	62538	101701	96773	103633	97242	56272	51865	95916	101745	77025	75355	78992	69985	24463	28001	69030	72407	67676	60784	92106	85891	15263	17212	15670	14384	13769	20548	16473	20172	11372	12073	17048	10876	14693	19828	17748	22685	23008	17104	23745	21198	18404	17497	18509	22088	19030	19251	13994	22427	18625	14549	16243	16889	15323	12507	10458	15834	14544	21860	14662	12719	20035	19122	11160	7667	27972	28862	19432	14743	9380	11743	7306	1	7721	1	1	1	7528	1	11351	12332	7236	7403	12441	9334	1	6686	6983	1	5413	5911	12620	12982	21664	22082	9504	1	15026	14344	19671	15691	6699	8248	17764	17359	1	5980	15353	11024	8976	1	12174	14308	16217	19276	13476	15012
806.6301@13.683998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	192829	108847	53522	102102	75761	27422	26342	682370	255347	195743	120303	1	1	1	34515	1	1	87670	1	1	60494	14442	51807	48310	1	1	1	14173	1	46564	73741	83179	1	46663	1	40700	34211	35713	66652	243818	88528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.3447@5.6408477	9158	10920	11753	11838	11141	11374	10683	10256	8304	10912	10127	9921	8926	9156	10346	9021	1	10682	11222	8579	8454	11907	9503	11677	11714	12756	11235	13223	12194	13360	12842	12146	11254	12761	12517	16317	14918	13560	14541	11015	13779	14708	11694	12700	13006	11082	11629	13323	12940	12256	15690	15066	14066	11496	14798	14250	11423	11623	13961	12696	12304	14077	12279	13006	13222	12738	11563	12068	12387	11605	12706	12251	22535	20841	20906	24300	22754	23447	23702	25020	20005	25658	22387	22329	22638	22096	20693	20603	23074	23137	24112	21359	15180	22794	22478	24461	22448	25155	23818	26718	24888	25150	27804	26671	25239	25235	27423	27263	23250	24512	28583	26910	137054	27448	8590	9117	8669	8363	7897	8676	9191	8803	7123	9039	7737	9216	9166	9477	8371	8637	8243	7850	7916	7508	7810	1	8502	7402	8973	9652	8928	9766	7302	9486	8684	8726	8647	9157	8289	8458	8462	9265	7873	7340	7297	7628	8996	10572	8161	9126	8304	8165	7819	8137	40978	42859	44075	43522	41880	41093	43772	41791	33155	31221	39115	41288	36557	38766	37149	34699	31197	31203	30687	32238	26910	27409	25931	25569	27926	26593	27004	28111	26466	28896	27772	29590	27923	27222	27248	28511	24295	27998	27566	26967	26926	28534	24802	28593	25363	24314
Formylpyruvate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78455	77364	47719	47096	224236	236458	932988	934104	22760	23830	100172	107807	153729	116681	50527	47074	111414	107961	953040	947405	793466	829336	246062	229721	648142	669090	801676	793837	141412	235278	265479	296788	217698	245655	38612	86366	147926	166660	544010	559810	482064	467114	657913	645248	289889	294513	285748	286244	73596	72159	72089	75175	75521	79124	115335	77097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methyl jasmonate nullnullnull 8.855994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53090	49117	90720	96697	20949	21344	83419	72743	20042	19105	38856	37623	55977	32270	130130	129485	71026	65614	97267	95103	214527	207618	246731	115737	114372	119394	81696	97232	31185	17473	40815	45855	38393	34918	116772	101375	61416	61486	120393	89045	163756	167933	95560	89665	110435	113408	159175	145813	36075	36721	176582	174417	92789	116305	125403	117230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
216.1726@9.337567	194874	213422	1	111132	1	1	88341	59723	169043	156039	149777	129358	66005	58315	119007	78856	1	1	1	1	1	155755	1	149403	149860	195282	51963	174464	187230	168185	95519	155426	1	114339	144232	170213	98993	161625	142572	146915	22955	91963	1	153424	49972	64411	110701	215438	45294	1	1	203343	197137	181852	114337	245353	60171	174110	1	49231	1	1	28120	98304	95896	123592	1	1	33681	1	1	109616	72425	127787	130131	1	117238	1	1	1	175809	174317	162539	120048	117834	142093	1	38518	1	100515	1	61004	1	135504	49435	79770	62057	165957	43327	60650	1	1	150085	1	1	110366	133364	1	1	1	187559	1	3291442	117793	54914	181472	222630	140024	223521	47907	189659	69502	145283	234790	46118	45471	199347	211821	201930	89106	129781	219031	219996	46623	184349	193116	186958	218955	120139	31016	89554	217047	108210	164006	223528	161220	121464	215811	215164	185174	146572	208760	143227	162487	156764	117348	214839	155070	152290	242933	92318	236765	202740	231919	160748	220356	73591	51198	140596	248638	175834	179840	127808	153079	258501	245466	188293	1	150079	200138	194874	216612	216913	72663	217237	112904	168387	24086	7668	188033	194207	151173	226185	63727	210325	224782	192307	41010	85464	209155	224150	60933	218234	201062	177070	222020	59294	64527	82042	82012
134.0194@0.94363195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85348	78208	75545	81111	79250	76271	91947	91076	85913	93738	88193	86370	78584	73837	104622	93832	109876	103464	107261	103567	91278	106555	72438	63634	76177	87261	99010	94451	70555	68749	70880	68942	86506	74461	115245	118385	96071	97347	81570	108961	126056	121742	101289	98447	113596	119711	114757	117234	126348	130317	94722	101170	118431	107016	130030	125892	135365	137326	109532	117055	123492	156003	118380	122022	141054	143908	119481	121039	118240	114582	103762	107471	147624	146844	112515	108200	112747	153120	167927	123697	146992	149973	120813	121037	86889	111199	151346	157273	119641	118399	121904	123876	126663	122494	93564	118752	98708	101545	116339	115561	123406	125372	104543	103361	105711	110671	85600	88515	80723	88236	64318	83165	98054	93571	82033	82464	89308	89918	81154	79171	102437	96303	105360	103771	101498	101234	92915	88273	92688	94466	106653	108808	77762	80777	102925	104401	99200	104863	103649	98441	102025	100434	90796	92835	92784	92944	96727	94379	78236	78225	98282	90229
C5 H13 N5 O6	272556	273592	304013	326296	327945	299789	279330	281112	283253	253709	271230	263118	279531	248656	224011	234836	238711	238862	242423	225118	232934	289001	292462	353603	448306	482791	412340	438496	348778	444909	377504	350364	396735	401253	421562	417423	420313	378984	421006	418467	381366	386138	390234	400017	373809	371443	408005	449808	389704	425706	192889	197574	548463	549075	495146	490727	523368	520987	229428	220538	243469	240488	231354	221434	252634	253761	254564	269930	251069	250670	213346	213447	256131	209455	340133	343740	289416	293643	338725	370591	343125	341373	350782	307942	331415	314454	246379	244028	278646	281059	295100	291449	182156	207058	432100	435523	442712	462097	493677	484081	450772	446193	484860	489392	478738	496956	512770	493802	495257	513129	510783	504493	1	546613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
435.8691@0.85347843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	115959	117577	111634	112467	97805	93269	119513	128460	133891	126932	118681	118890	109372	97462	70497	70225	116817	108671	121066	123360	105862	106865	77601	78600	105701	97304	108545	108870	97584	102131	93114	93179	96563	97437	68203	57630	107458	113291	103802	100082	113510	105252	99913	91663	101819	100502	104492	100923	116820	122764	100281	98490	107464	107379	108809	107142	102508	90507	79270	100742	70524	68461	86067	91106	88878	98891	94767	96502	93988	76859	85573	80437	104986	104173	91025	107245	116053	119228	109273	839039	101631	84904	89296	89537	87470	1	63075	75668	75745	84184	98912	76769	117558	83449	100475	94516	1	1	85103	87786	73467	1	116559	97108	97191	111227	1	1	41681	1	1	1	94115	62050	1	1	47907	43803	1	1	1	1	1	1	58908	1	1	1	1	1	54079	1	1	1	1	1	1	1	1	1	47290	1	1	1	1	119606	1	1	1	1	1	1
437.8666@0.8522106	72743	75193	81872	76788	64179	67659	78653	75375	74752	75724	72629	73458	64938	77454	64681	68568	72301	80094	70591	71833	55752	68181	68259	69020	69180	68193	67426	59761	73845	72266	25980	35633	34535	33485	28547	30734	32201	35219	30718	33239	30497	37450	24100	29934	28090	26870	35664	31927	24911	24485	16490	12816	33994	29682	34842	25800	37379	38429	94895	88888	89887	93440	88831	91641	87512	89611	89875	97437	81951	77530	78440	85215	62715	61943	83996	79560	90521	72048	58390	65415	57604	63117	76220	72656	68581	72224	67610	67115	74067	78519	78784	73232	60901	62827	79714	75950	84520	92159	87712	83389	97263	95909	90224	83450	89161	88809	75477	69792	90865	87447	88498	88316	97611	101915	23786	22283	25884	25917	21172	17217	28741	25904	24199	23150	18164	22672	25250	27543	19701	23232	24350	24813	21015	22785	24886	20956	18886	25088	22340	25043	23751	24375	21066	18639	22903	26707	24697	25906	29389	27835	25056	27030	23955	26946	15139	14911	25738	23030	19214	19249	22732	23571	24762	26604	10816	7524	11254	12944	8450	10166	16380	18853	9789	10209	14352	11765	19196	18552	12289	11661	9623	13540	14089	15052	12594	10600	14086	13383	13021	14589	10862	10520	13665	13100	11128	13253	12335	11654	13864	12470	13433	13943	19370	19967	11937	12733	13234	12722	12077	12253
2-Oxo-4E-hexenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52437	47176	75490	74463	146694	143390	48490	44025	51332	47517	40801	46107	247554	239422	51795	50577	64756	62176	60408	71621	95553	101555	242406	229693	197348	199809	65022	70188	418079	414539	356862	378840	247866	262284	52415	56493	285460	291395	226790	234754	66574	68220	235716	234841	78994	85178	102893	94321	60755	60133	117644	115910	73380	77698	136287	123354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
213.8468@0.8730356	61983	58065	61019	63734	77886	80730	57675	54239	61144	63716	75133	77777	72554	71385	67427	65928	57681	60985	64831	66796	82030	78266	49063	48450	67273	70046	67596	73492	57404	60682	115054	110272	112311	107202	117334	113666	113611	116736	108670	109459	106856	109372	121044	123023	110982	109584	109499	113863	115532	117021	80330	78184	109507	107388	125742	124693	104798	110371	44717	49403	57015	55001	23746	25335	71737	75687	73476	77636	81142	87951	9296	9704	55404	52662	87154	83073	67625	64299	55126	51539	19958	19660	26778	28684	74850	76310	5392	6284	11986	11391	13410	11814	33101	29293	15431	13216	21410	22742	78415	74663	27201	29941	53040	55907	58113	58585	104230	106082	64006	61599	69630	66596	60663	62287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H20 N12 O6 S2	29286	33211	34699	39040	23739	22517	44767	47508	63786	66722	26561	30106	38056	39884	31788	32392	40628	40299	38944	36536	10302	11350	41928	45020	10468	13371	24738	23144	28279	31059	10987	8413	15080	15613	1	1	13919	12579	18794	18269	15486	15702	1	6418	10092	9228	21998	22017	1	1	1	1	28580	31985	1	1	26243	24474	1	6371	6730	6685	20041	21322	1	7311	22678	24404	1	1	21501	20381	9189	8519	1	1	1	1	1	7008	14245	12225	12977	13088	1	1	94665	92833	25102	25986	16946	16307	1	1	24216	25058	16441	17294	1	1	17660	18169	7008	7359	8527	8591	1	1	17886	16541	7609	8984	11282	9208	23712	24428	7824	7343	8096	8195	15561	12869	12350	13827	32276	29851	8754	7355	11969	12344	10304	11655	24208	23475	27153	26255	20999	23946	24732	24646	14396	15197	26233	28002	21307	22540	9458	9664	11457	11857	17627	16687	25164	22906	8261	8913	7663	6691	14081	13032	25732	25467	9661	9305	8817	7943	10965	10890	14193	15462	1	1	16116	15862	15871	16434	28398	29590	13154	13739	21493	20881	9892	8580	27477	23838	49196	52382	18636	19857	34315	32491	42301	40158	11951	11185	38068	39071	9719	9973	21118	20760	7494	7079	16544	17903	24424	26035	24456	25740
699.3115@0.98300064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43771	43565	53856	50177	86075	81056	36119	33931	39182	41540	30998	32649	102576	104218	19506	19111	25534	25891	32899	35365	57126	55155	86803	86285	79980	85401	31222	31815	75940	74374	79990	78009	87428	88250	29259	32266	96035	94071	97868	94099	28789	27616	80514	81052	54217	52096	55991	55501	14925	16626	45036	45060	44102	42090	60307	64813	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-amino-4-cyano-butanoic acid	116250	110850	162327	163531	101082	102540	136156	133073	123219	118676	96851	92235	100258	107767	135792	136010	116589	116232	103941	106138	76899	77676	157789	166263	129841	133562	128377	129250	179873	187843	11693	12446	16246	16604	8309	7864	13588	13251	21856	21592	17476	16813	1	7780	17122	17545	20723	21519	1	1	12706	11802	32233	34105	1	1	27764	26482	29474	25609	44369	43321	66820	59639	31274	29030	34914	35635	35681	36652	78841	83036	32229	28797	32327	29096	24885	20924	25414	31606	67863	66153	53681	58993	38166	37117	112999	116432	117561	118621	77484	75755	50228	52138	90856	92151	71322	73614	35152	34585	107797	101262	53304	52282	52297	53822	35924	34312	61820	63091	51326	45832	80812	72347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Diglycolic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	189578	176646	318012	328616	745997	754170	159229	162544	219072	226004	188428	164962	1224744	1288889	341962	329750	169844	175105	171613	186445	385139	430196	1039896	955448	634681	647090	220320	236023	1498817	1575380	1091333	1130065	1167567	1213304	289002	375345	1178329	1250091	717286	783248	243966	236430	817192	776070	429096	464841	567538	558837	123031	120955	703438	695783	161389	161973	473533	560262	134978	137326	78577	75006	32719	155739	54553	47702	141054	143331	38039	41229	68117	71180	40242	39819	146146	146548	27023	137880	32986	35495	167735	41945	31837	149702	65813	67449	36271	39940	150991	157273	72002	69165	72413	72598	52146	175779	66913	68943	30197	32210	35756	38981	79477	75924	27141	26708	60183	58382	166371	167339	224630	230450	225468	227631	162109	158514	375939	387133	301467	299380	334758	340807	182342	168346	341240	329964	122918	125559	522651	519234	516643	531878	251393	253915	523865	519767	446936	436636	166536	166022	422670	418188	152010	159415	451936	430598	188689	190912	376757	385046	791056	780520	419468	422609
88.0178@1.0979997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	459987	439314	491180	482616	1115424	1094800	191612	193433	340157	339855	400522	429581	2673475	2706810	358951	323343	377538	370267	208042	168696	571564	192990	871028	864183	883210	169156	168904	179438	2717616	2724470	957323	964251	1078142	1148316	263667	311342	1222144	1241675	963178	957126	432807	459670	949225	915219	581747	568491	798641	778422	286425	295491	686328	682724	370389	359784	765046	718516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.3159@12.795059	10836	10273	1	1	1	1	1	1	1	1	1	5936	11341	1	8469	7183	16198	1	1	1	1	6488	1	1	10272	9033	9236	1	1	1	1	1	1	1	1	1	1	1	15069	10314	1	1	1	1	1	1	19067	8798	1	1	1	1	13979	6564	7968	7558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8319	24602	16944	11153	13050	19816	18493	103024	44831	15105	9318	15790	10293	9741	1	7677	8423	12682	10321	1	1	21493	9826	16244	11195	22114	16890	23695	14530	22158	15804	107097	22226	13018	14068	19072	13268	15683	16608	22625	15361	11493	14645	16322	15754	20398	19716	20319	18085	17533	14267	18622	16716	35845	32358	26091	27220	14547	15487	27346	24301	15928	14278	24866	17761	19865	19138	27905	28974	20992	21275	15391	14377	23143	24201	18930	17118	18607	20692	18103	18501	39675	33253	19050	18628	21194	21565	25276	27907	21852	20980	33303	35682	30826	25984	21600	12107	16228	13562	15096	9972	98743	86014	20848	17547	8000	8637	16436	13966	12065	12723	8491	7958	9122	1	9413	9858	8629	7222	8947	1	11168	9884	9080	7941	9801	12392	26619	7994	10481	11494	12619	8659	15803	23828	9136	7595
663.0286@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23398	23813	1	1	1	1	1	1	41516	39603	1	1	1	1	1	1	1	1	20530	24927	12109	11558	1	1	98148	92914	50106	51964	31536	35122	1	1	46863	41737	23637	20742	1	1	13210	13350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.2341@10.762177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8388	1	10712	10694	22188	15177	1	1	9539	7252	1	1	15351	11164	1	8368	7597	1	1	1	17435	13735	114283	52348	26522	18084	12084	9719	12449	13140	18922	21009	29307	21290	1	1	30129	15955	31963	19663	13148	14118	33561	22577	13305	12345	38666	14388	1	1	17871	12661	14504	14098	15670	15278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8090	7976	1	1	1	1	1	1	1	1	19026	20754	15176	15117	1	1	1	1	16551	10655	47937	34895	1	1	13975	9177	25631	18305	11590	9508	17930	15060	1	1	13099	10927	15249	15350	10289	9194	12673	12244	16175	11770	13378	14989	49254	12962	1	1	25809	17594	49519	68630	16920	13654
1201.6044@0.9819998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6624	6722	9233	10233	38203	36144	1	1	5527	6871	1	1	88110	84478	1	1	1	1	1	6377	13789	13319	60716	59768	47010	47455	1	6044	96918	93503	71457	75069	76437	68249	1	1	70810	71804	60646	59496	7925	1	36934	38529	14726	14522	13396	12282	1	1	9966	9875	9311	8632	15724	16903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H40 N2 O14	12099	12485	12962	13818	13570	11815	11206	10902	13925	12002	11702	10939	11044	11330	10454	11561	7712	10778	9703	10008	8757	10540	9520	11519	15048	14718	13823	14593	11311	14360	12008	12305	11987	13281	15911	15073	14094	12953	13715	11649	12880	11378	13136	13510	13712	13672	13397	13952	13322	12835	16494	15661	14604	14766	15638	14360	13482	13029	21637	21771	20614	21767	20333	19996	21385	21387	18576	19267	18856	18448	19275	16561	85006	70435	68835	65488	60123	60692	63561	62079	47632	53382	56755	55669	56568	57330	52249	52436	51337	50870	60869	56917	72073	54216	44928	37155	48732	40402	51952	47175	44382	43698	44024	42092	40516	45368	42076	43904	40384	40313	41858	46150	173424	38879	17906	17802	16773	16611	13724	15687	16084	17036	16710	15443	16811	12527	16424	15668	14493	14216	15684	14546	13234	16359	17316	16722	15106	15135	15881	14506	16494	15930	14847	16023	15586	15707	14069	15259	15967	15175	13820	16161	14729	13168	14046	15348	13596	13234	13085	13174	15067	14113	17396	20087	40903	37746	44008	37763	43209	41827	40024	37341	109748	111444	33736	40472	40323	40790	30141	24363	27165	25912	23202	24514	24173	23916	18645	23060	24267	24395	22377	27859	24031	26735	29587	22150	23344	23563	21129	22845	31957	32214	29022	29621	23826	21601	21645	24103	47236	47404
329.7636@0.8725672	42855	44373	45632	44668	70745	70831	41497	38329	46603	45944	65562	69160	59464	61073	49979	54990	41058	41477	51999	53847	73751	71015	31959	33750	54713	60501	59647	60098	41419	38778	153217	150488	146811	145392	153584	152829	155790	162779	142130	142798	139456	140224	165315	159778	150734	148487	145587	151588	169056	179025	100034	95442	141340	139262	191771	190981	124835	125996	33318	36795	46221	46786	12478	11069	67034	66572	63347	62734	80217	77970	6527	9813	43707	43221	77609	79016	56747	48900	33678	33332	11459	10333	14511	12415	67089	67149	6625	1	7579	9639	8120	8314	23988	21333	9008	5784	10351	11572	69014	65002	14583	18045	36557	37659	43857	44069	98447	104033	44704	44636	56081	50997	43210	45115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.0442@0.9858953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	104682	103243	102631	100804	103268	104760	109073	107977	100370	104086	106786	104106	101886	95725	90548	79900	89915	89341	90318	97654	92838	98475	92126	89528	93998	91597	90071	91744	101326	100347	82084	81162	86365	86523	85273	91234	105785	101560	97286	87741	91016	87803	95878	87908	97945	97122	90493	89663	86603	87796	88804	90830	90040	86508	105970	101895	42013	44767	42397	43896	49569	46060	55730	58793	27305	29785	57564	57278	47347	47944	57031	57680	47234	44453	56919	58728	48689	49678	52238	49290	49065	54127	58528	60204	51242	51993	39233	42441	43750	41403	34414	31573	54852	54363	37845	36011	45514	45599	29368	26513	59900	60803	57797	58153	30974	29536	19945	19376	17041	19861	18057	17982	14469	15319	33778	32284	17140	17578	26161	26469	18579	17019	23262	23475	9762	11459	25197	25345	49534	50690	24087	22276	24959	24209	39051	40605	20873	20390	32856	31099	13308	12435	28572	26467	22007	20558	24333	24612	25522	24896	33947	35811
607.8797@0.8373417	64244	65090	56360	62523	69823	67706	64760	59229	60589	65977	69394	66662	65232	66174	65261	59918	60449	63647	63349	68172	65540	66131	54856	57214	66579	70765	71759	71357	60349	60330	45466	51804	47017	53116	52542	48345	51872	45798	54041	55044	52567	54605	41203	45756	49726	47103	54347	55762	40315	49459	52109	56131	64865	60324	46508	43960	60120	62928	48264	44947	44446	39369	40982	39382	44069	42503	41354	39053	44442	41179	31531	31659	75816	74584	63645	63443	50217	20385	19652	24294	31926	42448	37926	36026	35619	41259	47415	46087	51458	45648	43123	42352	62971	65540	49538	45141	60990	59124	75097	70376	65291	61542	72258	68351	72486	66701	64069	61664	71172	71502	72409	66606	107411	74611	29244	29459	33228	28374	38555	40270	34694	33768	28391	24696	34632	30801	33244	30172	31093	35998	29547	30040	35711	29291	30557	30677	31051	28943	32230	30700	37241	36125	28805	30460	22788	29089	31419	28647	29759	28046	30795	31410	29074	31147	38887	38345	24968	23278	42218	41918	33505	30730	20659	25633	44984	42298	39861	40770	45001	43067	35749	33782	49649	49271	46150	46261	41578	42838	49653	43681	49532	49052	39520	41336	56349	56062	58470	57442	49336	51513	57029	54635	54563	58263	44188	45440	51012	53752	44834	41115	56861	57511	36207	34420	51483	56869	63011	60581	54623	56421
232.0215@0.9413814	68051	65476	67982	70162	89185	77855	59208	57620	90417	78424	87470	84380	76660	71527	53022	50600	82465	72038	72020	67766	73966	74583	43159	48877	85419	104369	76792	70287	54592	62200	121702	121108	99861	99023	102266	106171	129091	117990	75219	79838	118753	115945	104405	108879	90930	90852	78469	80592	135457	147709	145040	132822	99479	94181	165135	163122	120932	124439	49661	51325	51250	53637	55322	55395	56138	57632	55546	58540	59058	60370	47031	48498	78712	64632	69825	68562	57572	68664	64885	81946	43656	35366	56898	62238	68151	67168	35914	32747	45378	47053	50008	50333	102090	88448	82026	79999	75706	84229	93959	99057	93145	87868	92934	100028	100637	98515	100101	110140	89049	87494	95974	94813	101094	103137	73124	75492	75686	76396	74843	73720	77599	72018	70549	73132	75261	74994	73385	73913	71558	70811	78232	74391	74715	73612	70447	75371	73858	74906	73200	70890	75507	76773	74978	74471	77657	75355	74815	78866	77467	71737	72811	76807	75561	73963	77701	68716	76747	75859	77271	75553	84399	75494	74555	72560	74437	83575	85621	81882	91719	101051	85092	85645	71385	70858	107141	109709	134646	129620	100893	98054	120372	124313	87645	93872	185120	188927	105648	102912	109624	111442	210590	211918	98295	105489	92340	90949	91519	96146	93958	96015	183311	190791	84876	86497	177819	167651	217085	212164	100022	97755
Apigenin 7,4'-diglucuronide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	86470	112060	78478	125917	99465	129339	132513	175761	80669	112623	124778	96060	128654	122962	76368	67186	53361	71775	86316	66575	48801	68418	97882	78371	70457	71116	72022	63450	60488	60906	65955	46992	68365	71423	57967	64681	74392	66278	48531	68420	78375	60722	68644	112594	82780	50531	71669	68957	68199	65924	92928	69575	59003	74976	133548	72344	40465	32822	34806	35575	29525	32239	38168	32823	28848	17465	31005	32838	31671	31865	32968	33099	32495	43667	32995	23466	33256	27295	35517	27810	29292	36695	38616	23847	34173	42015	35290	31545	40976	42860	98229	23286	26602	24887	31544	31119	24439	35432	32932	29470	90119	42418	32509	28578	32343	32337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
571.7781@0.85701865	60481	65154	72406	65223	65240	65672	65572	68530	70579	68831	64448	66426	69964	61975	51112	46630	70103	75642	63598	55022	56525	55726	64722	59867	67521	78617	62305	59564	60487	67464	93303	97580	111654	110913	102981	105234	109132	104397	83782	86845	101833	108286	89969	86430	66503	71656	75773	77619	80389	91343	44571	43158	76251	76187	117906	121772	110964	108446	95229	99709	76906	68680	112437	102082	78194	82478	89475	90322	65358	72056	104754	106907	50667	40121	90703	77677	84439	109974	94943	73845	81622	79820	89835	103750	80061	60028	79230	79591	68189	74222	86415	80825	45628	44328	83717	95510	91442	87653	94440	78384	100873	96866	83174	95923	86476	84958	82925	81681	76132	63725	90709	77729	100079	90861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.0999@5.2809396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13728	14686	17647	10528	1	1	1	1	9275	1	17632	37545	13405	1	1	14120	1	1	14305	13767	60071	38803	31841	25072	11315	14987	24496	21391	18371	27404	27750	8125	19032	15547	26286	18631	19604	19600	1	1	27527	34508	9999	7588	11338	17118	1	7250	19946	22915	12089	9602	17098	19645	25234	1	1	57720	1	48838	24140	23644	1	1	1	1	1	1	1	1	1	1	1	20973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36890	42249	1	1	1	1	1	1	1	1	19025	25852	9605	13430	1	42087	1	1	44392	37277	23367	31053	38741	32024	11506	30936	1	1	1	16551	27104	21378	90423	30451	12673	15116	16973	16925	24660	7887	17355	14938	40732	37758	1	1	59655	93361	1	1	1	19188	1	27300	33560	35269
N-(2,3-Dihydroxybenzoyl)-L-serine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18834	19329	24978	25284	54942	52747	12278	12495	15643	17951	12396	13938	76570	75835	11860	11985	17558	15735	28881	36201	65325	67381	168010	151022	123836	48861	49735	44213	153000	152452	118921	119656	114879	108317	20325	17505	98420	97508	81299	81700	24898	22095	68970	67969	33959	35489	43892	43618	19723	17869	42716	41621	36716	33288	66149	42255	8980	7810	9922	10364	10697	9481	10956	10881	1	6840	8049	8932	11293	9386	9651	9542	8695	8846	10814	10845	14060	12851	10245	12127	12260	11499	10711	11955	10002	13128	9161	9543	11871	10377	8842	6327	11610	9568	9728	8194	11604	12921	17767	20414	13793	14865	10151	8971	10458	9635	7472	7516	8266	1	6895	7399	1	5841	11608	12942	7083	6752	11806	13236	7214	7168	10481	10460	6153	1	16140	16873	19385	20237	8965	8363	15841	12662	18333	17701	6734	6384	15929	15608	8344	8474	15788	12220	8069	7682	13128	15029	14391	17361	13299	15086
443.8186@0.87005347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	110548	97482	105193	102228	90903	92110	104988	113630	116514	118805	94309	84749	92984	84500	77855	71074	101468	110333	114373	117365	98839	97715	68516	66105	78066	79040	84938	87049	73193	82596	68513	67066	88265	80730	59144	59671	89150	91618	86527	80927	110383	111075	82058	87423	97394	90702	95437	100618	102500	95562	89187	86653	114182	101464	119353	112693	30429	33381	41792	44514	51778	49930	53678	45842	38738	35921	47467	45156	38291	39234	34730	32805	46849	43201	37983	33663	36113	33902	48408	49500	37122	39881	54101	52585	36046	34015	55622	46811	35742	36531	42676	52494	48958	49128	40508	34505	25448	26447	33430	38737	54758	59156	33920	42954	34443	32613	23089	23109	23325	25607	19563	19838	29652	30478	27418	25631	25890	27652	28296	24056	26612	23683	29162	30053	24446	24654	26556	31508	31937	31893	30331	29148	25235	24728	46001	47880	23198	23512	34001	34134	23109	26720	30282	25201	20003	19159	28815	27924	24385	25423	25930	20977
Probucol nullnullnull 9.067225	763117	780345	135270	141879	66231	66489	263900	257794	498193	485011	218106	221558	400516	385935	631497	611448	386484	289102	426570	401685	286170	291405	315065	343973	201187	201367	1509203	1493361	379372	397233	1387589	1404371	730179	722810	1385939	1387858	1109265	1084154	1850596	1857161	1896119	1877536	577894	582543	3857148	3764042	1434768	1479932	551113	558044	144436	157977	1753179	1728072	158248	158209	570200	577125	179641	193754	186956	199451	175696	32327	337599	332388	118577	119907	26561	23487	15711	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	104811	8034	6769	46398	46141	241555	235864	370539	46728	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	112619	276740	284240	257081	247065	17082	17259	243639	246683	253100	244628	179298	171129	25938	23516	15764	19317	22512	22134	1	1	63990	64569	16838	15784	13743	1	54086	58063	36553	33185	14777	15096	50367	51704	73975	66020	12158	10814	23906	25774	22012	24744	83043	82457	23548	23770	321829	316867	93101	93727	114416	118158	55910	56325	178355	176547	41432	40016	1	1	324730	326361	99295	98621	53734	51907	116500	117037	334861	335688	276827	283584	56133	56037	221404	221907	30199	31837	37906	35791	97585	86748	176506	172263	236396	238953	27628	28224	170257	171671	90269	130986	54419	56722	171055	166563	29314	26012	196322	175670	117749	121019	106871	97001	216969	213509	134294	133367
613.8359@0.8430517	89960	84630	87651	91391	65767	64468	98187	91344	81267	84880	61211	66905	78532	76764	71351	76304	84299	91971	78155	78392	55208	61948	87529	94284	73019	73070	76392	81936	95970	99041	12332	16361	20653	18297	17479	21808	23311	20081	20687	23744	17841	19123	16378	12931	20231	16869	23653	23655	10280	19843	9572	11694	26663	26822	19322	12930	27976	26795	223900	215256	233058	228658	214124	205477	206900	213597	215354	220490	198227	193738	145014	149889	367666	373293	312118	317614	238097	104731	96606	111132	99826	124399	153879	174994	185866	199325	122165	119766	166505	175897	184853	181402	335295	328724	235337	228626	276224	270533	353354	356628	313875	311044	365698	358781	353977	355191	274139	264863	358122	356541	339879	337636	481528	388836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
169.0355@0.91710657	177113	187952	238548	232216	153078	164306	273852	267149	223164	242117	167236	155409	185937	189461	195174	200500	198871	189187	206395	179487	114182	125751	297284	291854	209109	202930	179003	168665	233643	256306	12793	12812	40899	43821	12894	9988	48961	47222	78383	78617	19490	15880	9596	9501	7342	10197	38527	36001	1	1	16787	18085	73709	59897	1	1	22307	23199	62019	51108	51169	47397	103832	105835	29274	33072	33321	37541	31148	25448	55054	58455	44429	25181	39662	38147	33764	31560	60952	65528	66392	65394	70635	62321	36559	31915	94563	93787	73486	83074	72649	65701	33264	36887	75803	64143	67359	69358	64405	53185	70727	63107	46380	39775	57911	52698	22959	23355	52406	53859	44298	44226	51523	65615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.8491@0.8430658	77629	71571	75551	75645	82623	78475	73701	70564	77951	76589	89080	83866	86242	80249	75321	72601	76531	70216	78684	77711	77449	77790	58640	60235	77746	80335	78413	81318	68850	66561	81328	79359	77361	75727	71297	67118	72802	68842	78392	81226	75475	73197	72132	65733	64873	69106	78105	72699	56389	59186	50282	48813	82939	87959	60894	64223	76887	81325	57273	55896	62022	64605	41681	43029	67830	63221	68457	67173	61499	61110	20000	19678	62337	59554	74737	72217	69568	41827	31869	37806	22209	23578	35924	38130	56248	55540	24414	22386	32802	32817	29442	32479	49553	49184	41325	39447	40636	43957	73772	74720	45971	53191	63734	70351	65779	65698	69327	64295	73201	63871	72037	69313	74498	70619	49627	54099	48965	48330	54228	54393	55739	56465	41681	46766	53170	53847	50791	51320	57267	54350	53117	53334	57302	54588	52382	57337	51174	53530	54337	58015	57988	55287	55697	53477	50285	52631	54089	55463	51107	53620	55134	57237	50209	47840	55279	55070	51379	46392	61818	61514	54550	52317	47737	48146	50693	52221	52151	50711	49226	53296	48818	50003	66196	63861	55309	52672	64780	64386	61015	63400	58574	60419	47096	49164	67527	72560	73432	73514	57506	55267	69463	70693	73168	77305	51427	54712	66801	68160	52723	56974	70935	73433	59325	56887	63830	67966	69008	74458	69679	74910
4-Heptyloxyphenol nullnullnull 8.523003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20390	21177	12876	10757	8729	11323	15255	13252	10875	10003	1	1	1	1	15616	15255	20294	17757	16816	1	11330	16422	28317	23468	17170	17518	38548	35917	33065	37952	1	15118	11304	12688	48189	46386	26951	22750	37624	46171	22525	14426	15900	11519	14007	10595	1	1	35238	35419	13481	15315	288907	51327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
277.8402@0.863085	81147	84559	91770	88833	106257	104328	87387	80901	91424	95697	106123	103036	104591	102362	86234	88475	95731	90936	94096	92689	101762	102914	73134	74324	95726	106847	92847	101161	81341	79650	149521	145471	157898	156198	151405	148579	159877	155276	149731	147540	142700	151648	146955	141683	130544	136839	141719	139507	145233	150666	78086	82350	139746	139735	170614	162340	151374	152182	85951	81372	95112	94032	45870	46408	120565	125291	121937	126963	117183	114211	36498	34922	55182	55060	105918	104876	117212	151305	120079	112759	47843	45785	52250	53721	105370	97121	23556	19827	20474	24751	28138	29585	43534	36992	27869	34043	34513	35669	101961	93262	44832	43638	70397	70645	78735	79667	120344	118926	68314	71031	87624	89547	77637	84195	116923	120026	145129	137408	86632	91182	136441	132676	138003	136453	127862	124752	124011	127894	116750	120152	130835	128506	121092	124747	128711	130132	144394	145944	133752	130095	133875	139059	129409	129934	158140	154699	134219	130574	167550	165943	149097	150661	142451	146768	76527	75481	150826	152982	91327	97192	134156	135063	157023	157397	60546	57895	66084	65983	52915	55004	115675	107770	51139	54658	67555	69777	108232	104538	74728	72835	70530	71643	73734	78011	60722	66085	51769	49643	69683	73542	61505	60110	63235	62559	69011	75186	61590	50867	77011	80359	69046	70273	127512	127956	64423	69373	58368	56658	57829	67462
3-Carbamoyl-2-phenylpropionaldehyde	43337	48459	58404	64448	32583	28964	51466	49286	42401	36622	33771	33826	43933	33205	37284	36047	58440	54489	37596	36108	23448	24353	57318	73351	30677	41201	44800	50458	57228	74260	1	1	1	1	1	1	1	1	1	1	9108	1	1	1	1	1	1	1	1	1	1	1	6883	1	1	1	8090	6588	9773	7812	9259	8561	1	1	18791	20225	1	1	1	1	14716	12781	1	1	14609	16107	22034	26055	51761	47903	30895	39575	43667	38888	32892	24604	21951	18831	24320	27116	17870	19716	23584	28611	68685	56530	93399	104217	89102	84324	78550	65794	58237	55441	66428	65251	20145	17767	35677	37788	35623	34916	60868	34301	92624	90455	90238	86458	103164	106641	118647	121543	37408	35322	116053	115878	110287	112322	90724	94350	75951	74420	104050	103568	123118	130973	95680	89869	164078	164166	137577	144067	185689	193375	104371	106782	110910	106929	87116	84051	103680	106231	101966	97422	154208	157076	61621	68641	218992	221129	94880	99924	65418	68657	35374	35539	21933	19147	59554	61337	25649	24441	141474	147782	39065	38073	69002	71402	51779	46711	90536	92143	10353	8701	320691	313634	224610	216678	29565	29536	230514	232192	249179	259196	30367	28357	92366	87983	39425	38418	232394	218597	32561	33085	70773	65179	391535	381768	146079	147985
173.9447@0.8650672	45135	41953	51351	44579	48784	50450	50426	44593	52676	50445	54703	43178	59000	67334	49194	51642	45426	56155	47695	51395	57448	59996	40668	48786	55386	57219	53511	56628	38474	50586	71076	70339	77798	68064	72195	66875	74688	76694	73837	67453	69580	68999	69388	64795	69224	74459	66686	73267	65833	73211	45527	43128	72599	72268	76962	76770	72339	72029	60772	71024	56830	65112	41986	44485	81926	64590	71897	74303	69257	63877	27422	28091	46392	42024	63171	64683	69875	80316	75868	65056	40496	36822	50357	47039	68250	64503	16642	19084	23643	28554	31269	28552	37019	36163	39875	30533	31639	33250	63912	56813	45162	45649	52001	55031	55903	50827	73625	71683	57266	53853	55651	62661	64762	61576	275930	270480	321551	324200	327854	313012	317078	305799	350874	350016	306996	314680	279613	277117	218375	217488	289959	296568	210237	212515	239614	237937	297607	311193	251923	244917	324716	327765	258843	262508	349470	345482	308794	303604	397042	379763	331235	331825	312615	317866	184527	185238	328592	335557	277356	273012	231013	235647	269074	277413	194928	193050	312054	309555	293534	300950	428793	416605	268263	267829	368721	382924	271851	280988	316816	307654	324598	306735	326969	330284	260310	248146	239533	228969	351727	338463	222922	215282	327460	309703	290266	277917	279635	281844	296787	300584	283244	270160	241836	239928	272840	267215	206906	212309	228075	229227
175.9564@0.8825191	50435	50303	43461	47225	82315	85071	43538	46892	43309	39524	74361	78286	54118	56217	83387	78940	39035	46548	53611	50229	113672	119760	46074	44470	72800	67604	90218	88499	54964	58831	124598	130735	91659	90726	114183	117521	122896	112279	114149	118868	115134	110710	193247	202118	228063	217408	160487	166052	258575	271000	258965	258982	180847	187139	177697	183480	83069	87486	27338	26956	21790	18734	1	1241448	29065	27529	23040	23046	32123	28630	10696	1195819	111985	105001	52588	52830	31003	13199	916405	9298	1	467697	1	10519	34834	38214	6760	10082	12404	10514	14312	14669	34303	55192	17462	14809	21069	20315	64189	60028	21890	22434	48375	52198	45152	50169	73113	73710	61232	64885	51601	55830	54112	40089	124951	125415	106053	94742	55905	55705	79064	75216	156045	154905	97254	95373	102075	101399	118477	118382	106331	102273	123238	126454	114592	120967	92680	92838	100662	98225	84097	88661	134497	131201	94602	90918	121099	122192	103112	107386	81847	84872	117742	118063	94033	97108	150974	160205	39676	38092	112473	91179	141405	143735	47687	48624	125088	118690	180574	180746	178302	172930	92857	98213	141390	156610	161895	167135	220741	216541	122700	118789	239163	233362	82160	88797	68307	70705	161803	159868	87906	95025	58822	61434	215129	215105	84854	84911	217995	217219	89919	84124	219536	214127	118404	122088	69437	72366	115773	115806
219.9396@3.434999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	126155	1	1	1	225342	72292	59786	77637	1	50537	21556	16757	10671	16052	116442	102548	1	1	8234	126093	110950	18045	140023	206450	105039	1	1	1	39180	37269	69184	30504	1	1	98082	1	16104	1	163916	10199	73006	95348	55336	6669	52827	75392	39454	78322	47311	40009	1	130200	152350	72288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(16:1(9Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9794	9006	11017	1	10772	18612	1	1	1	1	8655	1	12171	11643	1	1	7872	1	22006	49201	155238	33083	24609	20508	1	1	1	1	22826	20406	16474	14331	8439	8747	25347	11393	33857	14992	15091	13104	29742	21800	13746	13994	41016	16140	1	1	21400	15904	11409	11934	50735	30188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
196.1129@8.048003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41931	18928	1	1	1	1	1	25712	19331	24038	1	18805	44747	32673	20970	30572	10931	15015	22217	20399	1	1	22312	81821	17605	11245	1	1	1	56454	28314	29329	46054	32349	40433	25339	47151	39048	31615	29114	15019	24635	24046	1	30980	35412	30304	25415	42036	22770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.9794@0.89799976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	219668	24139	9325	128863	3217935	3015576	20132	143820	183485	17108	127005	2578000	3080171	3133525	189014	135269	256030	226719	4900875	4246146	1942555	52924	30628	23091	154819	2795075	159012	119702	3512762	3633452	2599834	3097900	89868	79570	234030	154233	127484	72766	87846	3938612	12466	16657	129509	3928557	155734	106062	150512	26612	308467	264730	19918	167284	210707	19158	112050	5256955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.032@5.552001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78658	33904	123548	80215	1	47649	1	1	1	1	1	1	1	1	30831	1	56302	42083	48284	51492	1	1	1	50218	1	17581	1	87767	1	1	34986	62470	76526	30344	31291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H6 Cl2 N4 O2 S3	46933	43897	41442	37432	51042	55310	42234	39627	59458	50849	59735	54105	52248	47865	30405	27935	45948	47449	39723	39441	44616	47140	26123	20101	50428	64198	50614	43066	30375	35412	75349	72386	82887	88382	85778	78123	84330	84871	61620	62244	87987	86182	62311	66496	40960	39983	51631	52470	75310	76069	39717	43681	59912	58381	104149	102386	86037	90587	72917	83022	52171	58936	54422	55057	72111	69168	78327	76281	64820	60627	57245	46976	63065	51516	85596	90219	79246	76816	45135	45219	26309	29987	42712	48491	50647	59538	48022	48560	42080	41330	51043	47799	31097	49746	67664	66467	60400	61035	74753	78126	64643	66351	65256	72785	70481	76551	83552	90637	54262	62517	74752	71122	82579	74749	58467	57974	69253	70070	60429	60700	70948	69784	73408	71061	67221	58504	64065	62367	51490	52736	67148	70305	55056	51897	55054	56966	70902	62432	63227	62724	67890	71094	60453	61145	71854	76821	61911	61975	70512	77344	73115	65224	60600	67357	39378	42146	66196	68160	51008	56799	50843	59542	53967	58704	30870	29605	44929	40998	41192	42186	57988	57035	41483	34136	50696	54600	45534	40439	46500	45132	50242	50640	49445	49741	37492	40277	39499	42489	55900	54146	34643	35404	45395	49539	47503	44693	42400	44432	41462	45757	40513	41598	34573	32368	40905	41615	29811	35024	36801	39821
347.8288@0.86443734	48836	44659	49399	36930	44153	48379	43454	36118	55534	53271	41455	45127	47002	46349	37956	38676	41988	46988	37135	47260	40567	42466	39291	36242	44689	50362	40006	37815	35655	39976	55887	53868	62206	67298	52890	62731	60427	61710	51985	45713	56871	55524	42254	45783	43349	48071	51379	50335	50775	54027	27530	26965	53498	46431	63538	61794	65423	68916	57181	54736	59914	52038	38515	39588	63446	62948	70401	69763	68165	65220	32613	33283	33954	29329	65207	60538	68349	84408	58620	73640	43757	30355	49446	38326	59430	57553	28914	32504	32913	33960	28831	29527	27982	23360	24882	33065	32221	31376	57362	54265	31528	31338	47255	36757	53583	44425	61684	55975	49897	42118	52364	54425	48814	53928	55147	53824	61768	61773	44227	43228	55424	55652	56497	58195	57835	56177	62753	58551	59486	57354	58513	58194	53745	55234	56692	55227	63526	65156	53043	58617	65504	61552	57593	56278	65851	64581	60828	57224	62541	63099	63758	63578	61709	60694	40196	37811	55627	55198	45051	44518	56803	60284	60834	60902	23774	22474	25989	25458	22411	23536	40456	38141	26342	26283	27081	26865	42018	44724	27385	27423	27273	28623	26307	27017	33790	31816	29476	31888	28423	28425	27110	28357	30533	30257	26529	27818	26055	26036	30827	32674	30492	29555	49813	52016	31064	30193	26491	28309	29094	30527
181.9387@0.85064226	69391	71806	71765	70143	51162	47797	76094	81894	67077	66482	50222	46557	56395	55654	48419	57872	70762	72407	62032	64665	46806	47158	76334	81644	55641	58253	58027	58712	75493	74664	17205	15668	15059	16201	14875	15686	13943	15078	17372	17790	17534	16858	11094	10415	14197	12016	14331	12263	1	1	11654	10983	19412	17913	1	12315	20047	20293	27677	25845	23545	23693	56145	58837	17130	16477	18669	16771	15404	15304	119183	116182	15711	13070	12347	10889	13979	17392	26331	27210	73287	68801	55723	48754	13127	15479	125778	120796	77020	79492	79775	77323	27495	30776	82091	79007	51854	57652	14095	13204	42647	38102	20013	22312	21300	19629	7936	9736	23468	21514	16631	18828	18713	24434	1	1	12444	1	11062	15742	14027	1	1	1	12554	13201	1	1	15203	10825	1	16689	11441	11952	1	13366	12862	11722	1	12913	15012	15304	13187	13270	1	1	12110	1	1	1	15563	17289	1	1	12718	12170	1	1	17335	17457	11829	11212	1	1	1	1	1	1	1	7983	1	1	12488	13256	1	1	1	1	1	1	8327	9610	1	1	11550	8540	14272	15345	1	1	9965	9641	14672	12338	1	1	12150	13412	1	1	10845	10651	1	1	9054	11125	12194	11746	13689	10568
C14 H12 N10 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30577	31750	39041	39309	88839	91179	18862	20887	14372	16981	14666	17605	53375	54627	14859	10909	19633	22177	23279	21377	29625	31528	42020	39707	48700	47281	14639	16411	36301	34653	93086	96109	54843	52827	17135	20628	95129	96761	42758	44110	27127	26908	83022	79012	40963	44678	43232	38514	8125	9147	18780	19480	33399	31655	29130	26804	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.3855@10.958005:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8048	1	15975	11755	1	1	1	1	6998	1	33939	23953	1	1	7080	7197	1	1	1	1	145496	70876	31639	25462	13204	10694	1	1	12622	14960	19567	17005	1	1	20042	16236	31757	24197	1	1	26928	23191	12507	10958	10210	8076	1	1	7841	7496	8264	7724	7808	9362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7-chloro-2E-heptenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	408279	153002	299209	258304	205439	238838	251921	222546	270679	250907	154106	166798	240760	204112	306921	303721	374889	402311	399674	430821	315479	295715	200691	145779	320785	287417	195202	220847	332691	323596	286718	302451	206534	190671	327756	270242	265391	203916	160080	167450	421336	161954	199661	379521	291677	307378	109844	112254	330339	317518	472256	477566	412906	413566	302744	335653	20702	21361	15571	12815	24872	24608	19958	16474	18967	17542	16712	20199	21603	21316	23543	27558	18831	18169	18248	18700	17549	14170	18318	20342	20259	21064	17924	17004	25389	29398	16535	18514	15468	10411	34481	32914	30112	29179	29915	33021	34384	29762	25450	22473	44499	42318	19365	23582	44551	31168	19670	12829	16510	16438	12055	15447	1	1	24220	27838	16334	19642	19145	15808	9575	9898	39250	29650	1	1	24377	26367	57251	44850	20528	20746	15474	19491	22569	23175	10614	12351	22593	21389	8620	11524	21770	22275	11089	11147	12209	13629	18128	19258	15508	20780
L-beta-aspartyl-L-phenylalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10621	13815	12117	11236	31458	34631	1	1	15599	14219	14181	13675	30156	29982	9008	8708	10896	9815	1	1	8538	9334	56541	52955	41368	41488	17640	14700	33566	27808	91819	98372	36508	42305	14229	19555	37548	36406	35599	36593	18743	19185	50141	50561	45052	43531	30058	29641	23279	22347	13620	10569	47142	44482	35501	32199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
611.8411@0.84373784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75564	75615	78398	76280	81087	85992	73507	68300	67345	76430	61268	63227	68731	70081	62462	58421	59742	62104	68534	49353	47971	57019	53271	60948	71743	78584	62401	60424	53775	48914	70143	70425	68109	72783	80185	75014	87920	81447	86532	88767	68875	72717	94698	96759	90706	97081	82400	87883	53508	56143	87147	88608	73395	75265	88074	99132	28308	32871	27241	27769	32383	31056	29284	31976	20250	27910	30896	31679	32279	29629	33344	32570	35425	27845	32656	33880	33453	36812	31531	33049	33052	33875	33178	36696	35080	32578	23866	26281	29160	30388	23424	25139	34095	30239	28490	26978	39895	33795	23431	24181	40883	42137	31151	34795	26800	24816	22935	23341	22339	21770	24630	25948	19817	19055	45373	44311	24505	20965	27831	27719	24252	26189	27956	27353	21333	19696	40970	38944	58442	59939	24950	25031	44266	43795	53732	51574	23590	21213	44810	46458	23756	22137	37893	39252	20825	25374	35112	34761	46312	50152	41225	40662
Cuminaldehyde	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11202	10011	18135	22861	1	1	14735	18119	1	1	9402	8671	11139	10021	17724	14002	19976	18848	21942	22165	36374	37913	43824	30985	34841	34544	27413	23983	15645	12556	15434	17166	9353	12254	12180	10676	19337	21803	37676	28864	38575	33033	37844	31314	19579	25033	28378	23387	10605	8971	43513	33951	18665	20873	21000	28055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.075399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	195179	203150	190013	197625	183529	231107	183604	207984	195735	322409	344817	284287	186608	201220	70500	117324	109014	65499	110343	111151	112150	110600	148060	117859	119733	108245	109296	102571	118804	70436	101388	102503	78559	106091	159375	78662	80130	98468	105092	80208	110143	150023	78008	195700	74662	106807	78475	107781	182441	108152	203477	103130	117742	123320	239281	181509	104965	96685	58170	46799	82141	53091	76695	89446	85186	68760	86097	50351	90136	62937	59832	80926	76473	55875	61607	88460	87271	85602	55183	88097	56093	73557	84510	88387	60942	102464	62977	43232	64420	88332	95938	82239	100997	63669	65208	85911	100790	68004	76365	87423	88386	80747	53372	66809	82680	76710	1	32198	17700	1	23197	19778	58828	1	1	1	20030	19190	22331	61806	22120	28268	1	16679	17182	17929	16502	19423	1	19165	1	16715	1	15674	20050	21056	1	20046	12801	24092	1	18860	20656	16386	15035	1	18253	18382	20883	15635	21315	12810
58.9826@9.963995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61552	47221	53484	104353	31833	23120	51429	23408	38904	37582	50531	92885	101883	26665	12452	19796	16892	27473	32732	31792	27185	30862	42438	15571	26982	45729	15809	19206	21973	22893	23060	47584	28039	22413	1	47794	1	67062	38444	48085	25723	32617	15153	38184	23385	32560	30559	25879	76816	25552	15699	17248	1	14785	122718	18614	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4,4'-Sulfonyldiphenol nullnullnull 6.8802853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13390	12807	12633	14255	10974	12842	16157	11638	13062	16602	13087	12546	12810	13410	11699	12556	11811	1	1	9583	1	16754	13481	15391	15696	14568	13171	15059	14030	12710	14299	13510	14419	12818	15762	12949	15967	15760	12623	17242	501184	17846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19638	21028	19423	21730	17904	18027	23267	22195	18601	21855	19623	22670	17545	22312	14242	11847	16731	12046	14855	13218	12845	13616	10779	13186	11815	15548	16047	14826	14185	14074	13113	16092	14166	13525	14780	13896	12308	1	12278	11487	12606	14170	13186	10376	12929	14078
C3 H N3 O3 S2	20582	26129	26297	18434	19734	21803	21526	18209	29867	25154	25304	20905	22019	21658	14455	13492	23153	15642	20844	20712	17907	23219	18088	18651	20047	21566	18529	21486	14777	17736	17076	17001	12390	15429	16632	14355	14057	16572	27110	26262	30449	16510	16733	19505	18867	23462	25269	23793	13557	14970	18364	15694	19695	21512	17886	14774	21243	18275	1	1	14363	8735	1	8451	12147	12416	10762	13858	15398	17005	9352	15256	11498	7920	1	1	1	16423	19840	21505	27288	19566	19196	19030	17984	16575	16992	15283	15165	12890	13417	13838	23796	20545	12707	13636	13140	12870	13117	15187	14551	11870	11258	15228	13032	12921	16153	16264	15685	20434	15712	15036	10540	12495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H11 N4 O3 nullnullnull 1.5987873	32294	74723	82589	41731	32666	26072	41059	30462	34723	33518	18696	30465	23284	21149	22094	16862	32960	38773	38802	24221	22773	23068	34960	41583	42891	50795	48595	42881	68372	68379	61952	61101	72444	68868	47747	43500	34529	30544	73658	70309	43792	49419	31792	30857	65597	61250	85359	94992	33975	38413	1	1	74556	72576	15188	15333	73982	79373	20958	19543	19677	15386	96917	91688	14427	12539	11551	9899	17402	18255	82175	87677	14581	11895	34186	32717	23228	24169	59198	75513	110577	109098	65962	81071	25998	23349	240881	256696	181983	184884	153948	156779	16424	32466	246563	240929	136606	139731	70029	64819	198053	182058	54688	60101	77687	83420	32827	34198	61895	64320	66569	62491	113044	102200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
184.0009@1.5690001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21812	1	10994	1	30156	19022	12998	1	1	1	1	1	1	1	1	13020	1	28156	26297	20576	41671	54415	38834	82114	85067	1	1	65124	60909	50277	81191	50645	46831	1	1	46726	51575	101521	102950	27655	24645	77265	76728	18081	18584	18241	20596	1	1	37480	36291	23347	22681	1	16210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
474.7641@0.8726584	28553	27174	28944	27651	34722	31939	32037	27956	30748	27578	29821	30609	34115	30847	24869	25957	31748	26245	27951	26973	29010	28158	23928	24579	31409	33653	29141	32264	23887	25146	40323	40934	52534	48820	46500	47337	42219	39547	43946	41104	48386	49345	36490	38440	36449	38820	41259	41223	28941	26159	17092	18806	48015	37672	24656	20568	68309	63278	70550	62806	65989	70658	47464	51084	83635	92521	86893	88155	76314	74703	57401	50626	45048	52342	93824	86937	89200	88892	69235	68584	40843	40856	47458	49542	71848	73083	47545	51251	44361	45079	43789	48818	29774	29762	47196	42202	45073	46103	82415	76348	44746	47497	64314	59466	64520	64077	86611	93126	61696	64100	73546	70362	84564	70765	79354	81824	84009	85468	59177	60742	93902	87297	73374	72925	86443	82852	84831	86738	84772	83169	82963	89406	81277	85898	82374	84459	87448	93144	89703	84712	89401	88484	87114	81162	89927	92089	80819	80447	86391	81219	92440	95150	84500	86214	53036	51801	79247	79811	59093	62292	88230	84137	85073	83920	24495	24272	29758	28079	27370	25344	41592	37604	30486	30337	30388	31011	54029	53178	31578	27897	33332	31496	25653	26862	37156	37613	31529	32608	34002	31760	32969	33505	36864	37556	28420	31868	30295	32978	30408	28644	38182	38367	53972	55334	36609	39770	33032	36538	35385	36329
C22 H25 N10 O13 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	108849	127256	139758	146608	66397	73842	75197	71782	92978	91970	66293	70242	52413	53973	51838	54169	83615	85151	68973	68631	98220	96436	34473	44472	52148	57939	69064	65838	64644	67035	67025	65135	72614	77451	27186	31698	65732	76581	62681	70343	107423	109070	41299	39620	43008	44430	30625	39637	38344	36079	30636	32228	36676	38908	19692	36295	12869	12562	14431	13853	13814	14780	15916	14617	15651	12458	10726	12615	18255	19771	14330	16072	15012	15958	12438	12623	15734	14645	36090	34713	13747	12406	16409	17713	13261	15074	15088	16013	15380	16281	17331	16678	16079	14083	14708	16452	13906	15052	22035	22156	13295	14691	16444	16960	20356	20228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H2 N O13	40879	40384	43353	43329	43729	43483	38259	34899	53711	50571	44550	44770	48069	45055	31627	30395	56771	48376	45909	40838	36265	42469	30348	33392	44672	47532	41435	39600	35416	40456	58303	63379	64824	66004	65933	64821	65965	67294	59498	55642	64397	65336	53202	56126	42744	47818	51338	50217	50785	51171	30272	28589	52111	47264	69642	63873	65343	64823	51103	50021	39975	40466	56947	52060	46337	48029	52761	53588	38033	37242	52991	59116	40590	34972	48180	52507	55127	50928	40125	38494	39401	34926	45706	44348	38367	38571	46847	45816	42621	43357	48324	45191	32784	32406	53300	51116	44675	47274	48382	49678	44112	42229	41769	42049	43859	46559	53775	50021	38120	35352	48297	45423	71820	52908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
709.7304@0.8880357	51761	56281	50470	50777	51042	51497	52845	48401	59890	64374	51241	47474	54070	57042	30313	29751	63375	53400	53794	57990	46483	43756	36615	29228	54492	58463	37244	43130	43441	34459	60973	62583	91389	93150	75290	74565	79499	79950	50544	49439	75894	76157	43540	47457	28612	31289	40226	39986	55866	58593	20061	22236	46991	50944	93846	86275	94143	105829	71967	78491	58699	53513	63200	56455	77292	73900	78450	82529	58139	54146	65046	54778	52943	50178	109312	110436	98395	80277	53456	51223	30783	33481	48006	50670	64782	61873	34445	49807	49605	46541	47926	57416	36123	34335	58186	59155	63213	63666	92443	88722	64889	55122	77000	71974	73328	90178	119801	123019	64736	59790	78664	94697	116509	111467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Cys Arg Leu	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17968	17342	1	1	30967	33126	35014	34878	23307	29066	44053	40693	20159	17183	1	11094	30883	22604	17656	1	15736	24913	26171	32705	51940	44883	20617	16096	50419	35826	21232	21226	25055	23857	1	1	43940	48652	41446	38879	12516	24879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.9738@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16074	18303	18620	19934	78095	71925	12619	9854	10101	12863	1	1	83390	86554	9555	10198	8216	1	10251	1	12412	11254	63596	64363	53204	51266	1	1	96014	92135	86605	94539	78453	79802	18305	21173	92868	95093	75855	78503	10859	11397	61462	63944	23687	26574	21221	19194	1	1	18584	19855	15371	12690	22121	24096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1314@7.7399993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	141498	35943	25298	11765	1	1	1	21339	15438	16587	13690	1	1	1	20626	16797	19556	11198	1	1	6161	27007	1	23936	25412	1	1	1	18344	45509	1	1	34691	16018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H5 N O20	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16965	19047	18559	15297	53178	54731	12258	9539	9739	9676	1	1	82670	85398	11219	11805	8973	9734	14080	8876	16826	15316	52256	50872	44178	47853	9648	1	88286	92044	72852	73972	73487	77745	14293	21763	83113	81146	66379	65497	10852	10227	52323	58236	24835	25293	23770	21501	1	1	22093	21702	17448	18809	26780	24963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
477.2852@11.018002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9883	1	1	1	9575	1	8192	1	1	1	1	1	1	1	1	1	1	1	8470	8193	26853	21946	107816	32791	10132	1	1	1	1	1	1	1	1	1	1	1	9770	1	11831	1	11364	9096	12905	1	7827	1	50230	8580	1	1	16346	8683	9934	12230	17708	7904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
744.9445@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7947	40016	38090	1	1	1	1	1	1	62060	64608	1	1	1	1	1	1	7196	7109	36890	42565	26872	26808	1	1	88788	83828	63294	63971	52020	56419	7724	9794	63593	68050	42673	41607	1	1	33891	32243	10142	9935	1	1	1	1	7325	1	1	1	8997	8625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.8782@0.8625424	89577	88251	103776	90142	116446	107972	82775	86842	108460	105194	92718	101495	109597	113072	96239	88782	101787	98098	93941	98564	107677	100746	78626	78683	101288	108547	102995	96532	83914	91570	124989	120956	123235	122309	121199	122806	129357	120702	117665	117238	120109	122029	117201	118977	107259	114293	112476	123488	114520	123691	68148	66171	114833	114527	136015	122013	122183	128284	83108	83893	82165	86695	48017	54164	100538	96960	104248	105503	98965	98031	37457	39992	53999	50920	98687	92447	95863	116003	99600	97046	45573	42380	56431	47024	95582	92185	16744	20728	32694	23931	28797	30839	42685	34211	30694	31598	43193	39784	84023	83383	45363	43092	68287	70655	74947	75499	103225	100583	65661	71777	81490	81309	72483	82807	94261	93375	103095	102861	74033	74681	95518	102252	102867	105699	98464	96437	95079	101264	97360	95658	106303	100830	95886	98493	99809	99176	109356	107464	102582	100559	110936	108362	99826	101251	118802	116350	108812	100456	126102	117223	112233	122281	109939	111562	65729	68878	113033	116589	75136	79995	104085	106115	113828	116222	50993	46220	56013	60344	47008	44925	81492	71455	45847	50564	57955	60568	84162	86465	56711	56887	50506	55567	55107	55102	53087	50674	49718	46977	61851	58539	49849	53814	55422	53570	61220	60355	49229	49621	57974	54884	53949	55118	92150	87267	57680	56417	52913	48535	53829	48049
C15 H N O13 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25575	25740	25333	25565	76573	82327	17010	17691	16206	15804	8249	8954	92553	83088	11917	12887	9699	10289	16152	13246	22443	24055	73292	71386	54956	60017	7769	7937	82899	85124	79664	76522	77181	78273	27009	28372	86391	92031	78739	72627	14710	14343	59934	60431	27695	30876	27408	25416	1	1	24416	25520	21593	20409	30870	29857	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
293.0703@0.8989994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27540	24876	32000	31631	66372	73180	23452	21197	28992	24716	21621	21841	92731	93921	17294	15976	18516	17300	24347	20303	22638	23015	57612	57190	50420	58943	20092	20755	103700	106122	101034	107528	61739	64141	24520	22797	78970	77648	60170	65893	19686	21782	78328	83862	30259	35511	35202	30212	11503	13692	38183	34369	25867	29257	43254	45569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
undecanal	324802	376878	313955	41324	1	485853	301263	1	1	1	249260	158040	301441	228396	473579	1	1	324087	308369	264443	1	241293	292542	1	1	327271	520410	333963	17581	365638	145656	1	1	188315	299895	159790	340157	296816	328373	352808	1	320052	608935	267458	508621	329289	1	532322	1	1	1	320479	369600	116314	389344	380665	425267	1	298472	209061	221396	219420	207373	168533	209680	129389	113848	243559	208409	1	198302	1	93326	267967	270669	260530	215343	219143	116973	299215	126061	165510	276021	267585	278348	292654	227330	136584	244198	189430	246260	503569	143853	286794	275068	284559	189743	243770	373997	311587	435772	241381	267748	205949	168748	289886	245801	228180	225684	297003	148063	200729	2898623	295629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
505.8458@0.8725799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71536	67456	77456	74795	53693	58212	79765	82662	84399	84642	58360	56699	37517	40393	52590	50409	73665	73359	78501	78091	69200	71471	35707	38490	48261	54346	52795	50264	32452	32500	35203	36190	34670	37828	39641	38005	40649	44346	55299	51700	78412	77984	53897	51174	74191	67340	73650	70257	64029	57471	62867	68891	72244	69144	86638	82676	49910	54794	55078	55899	57931	54174	59291	61805	48467	47148	52942	58839	55566	61593	54742	52378	57896	53427	60331	59767	55705	52981	57219	62434	55499	58414	65478	67800	55029	55975	58164	56037	52703	55050	50151	53042	61912	66501	55278	48464	44719	44921	48472	46680	60258	59927	61498	61638	46993	49285	19985	20206	27970	26592	23392	28485	38681	38686	32508	35221	29653	30988	35748	35337	27005	26307	30763	29250	28222	29288	33990	31152	40844	38633	32504	34776	32415	28867	43520	43654	29139	29692	37386	37767	28336	27079	36816	35844	34955	37279	34391	32613	32388	33413	33831	31335
> limit nullnullnull 5.7760005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18739	18684	1	9018	36167	36774	1	1	1	10750	1	1	66956	65510	1	1	12038	11049	10830	11287	14579	14478	42659	40128	30484	33729	14216	14828	103439	101577	60064	61875	51469	51044	1	1	60172	58243	43833	43915	11078	10286	33088	32262	13765	16887	14717	1	1	1	12986	13523	12885	10981	20094	16075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.8641@0.8454557	52399	53678	53173	52339	76366	74507	45472	45353	56731	58020	73233	75585	67926	69828	57042	58129	51368	52924	56668	61196	78875	74934	43721	38734	65457	66189	61238	61840	51695	50004	131163	129838	135664	125227	136053	130955	137766	137583	130059	133865	133028	128963	135714	138946	124232	124769	123277	124980	127971	131707	115944	114241	131892	130003	142518	144694	132404	129301	48167	46739	52541	48990	22878	23476	67897	67801	62059	66584	62447	61487	17743	19225	65550	63998	80535	71619	71283	46442	27194	30004	13021	16702	24217	26254	58183	58872	18231	19632	21588	21180	24176	26965	32521	36054	26512	30713	35113	35014	76725	73457	34579	34537	58213	51621	53269	55191	81344	82134	50592	57869	61964	62545	70114	58283	88325	90080	94920	96559	81466	81554	95902	89570	102641	103724	90449	92021	97628	96042	83581	90730	97191	94859	87371	88310	87745	89145	93256	99049	93277	93926	93433	91185	93414	89680	107078	105558	100405	103913	112000	116059	99053	97914	102916	97787	71924	71331	102608	104176	76291	76751	93096	93014	108031	109550	74923	76827	81665	79895	71907	72273	109397	107734	62073	59580	85507	81439	95721	93333	86090	89265	75401	76808	95533	91555	69480	64190	50241	53309	82725	83738	59739	62048	59476	63737	88391	84014	54607	57294	86196	86994	74926	71806	117996	116854	71596	72638	62364	62231	67055	68754
C5 H2 N3 S	17860	19451	13658	16557	13781	14474	11486	10419	16528	13615	14076	13583	17828	14361	13246	8487	28480	17959	13077	10774	14757	13839	1	1	12279	14468	10073	11769	9177	1	49126	47928	49963	49401	49054	44431	49905	47373	26248	27076	35634	40309	42858	44737	16877	21162	28256	25090	63616	59290	44479	41418	33457	31944	77375	71630	52258	56862	44936	40906	27982	27972	32362	33220	32876	35219	39639	42093	31149	29181	36938	34218	37078	32392	56127	58754	52082	36427	20248	24834	10882	7918	27271	35069	34059	35084	33313	32894	24123	29652	40749	38055	1	26681	40365	44321	37530	39582	48888	47582	45282	42195	43169	42888	54153	48014	61282	65646	39471	36697	48228	48436	57165	61025	40166	39310	46111	46117	43522	43620	52533	55016	49890	47860	19315	46708	39261	41146	31111	30775	44299	44255	30362	30190	32744	34468	49766	53827	41495	35207	50167	46413	35791	35076	53835	48853	39633	39096	52241	47943	42858	45486	41334	42798	12528	13510	47543	43929	41572	43867	30364	29187	33303	36143	13511	13948	15087	17246	17536	16090	27681	28340	21276	17796	22669	20446	16152	17838	16612	14053	16708	14458	18171	15842	12631	12701	19940	21862	17906	14857	12326	12110	27048	27875	13385	15251	16992	17612	15956	18108	21006	19099	25950	24758	15513	18222	13105	12452	12780	14599
669.0374@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10818	9045	10438	10621	62316	55060	1	1	1	1	1	1	61159	63793	1	1	1	1	1	1	6795	7694	46067	48209	31445	33785	1	1	86789	86879	66753	69789	55187	54151	11271	15368	73992	76174	51205	50715	1	1	39908	38618	15085	14272	11339	11263	1	1	11197	10630	8932	8448	12777	13992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8829@0.85342044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	93471	88128	94635	83637	120279	118099	72085	72833	71789	78790	63331	60550	96857	102275	63907	67154	67260	68557	78167	63449	72024	76350	100570	100152	105655	106510	61788	57498	73854	74853	91178	88577	91880	101245	95928	95004	115817	107355	120435	130371	80735	75184	128678	125237	107725	102374	100401	103840	60367	45312	99347	96371	83640	81884	122006	123910	22481	24507	19385	21983	25018	24448	20074	21490	18228	11525	17832	20501	21141	28833	21914	21518	20734	19969	22283	22857	16096	18659	19646	24449	21995	19215	25037	22457	17870	18120	25335	19129	21689	19559	13249	17802	23033	25417	19312	16966	20972	19332	15085	14583	29495	27507	19838	16522	15718	20576	16723	15741	15579	16548	18602	17158	11719	13120	22559	22544	17211	17984	25021	18781	15457	16922	21106	18441	16702	11910	26510	24757	28969	29584	20025	19321	28665	27172	30020	29459	14294	15105	25942	27872	18356	17141	24265	25242	12948	15525	25288	25387	28434	27375	25013	25669
453.8445@0.86008686	58519	58869	60968	66056	52410	43130	58376	54983	64109	59205	44035	49418	55532	54637	45430	44604	53247	55572	55266	55025	39527	44042	51168	57901	45028	58723	43807	48628	55297	60651	32568	42017	39957	40367	39049	39807	33660	35324	29890	38767	43726	39031	26054	32907	21626	20723	31523	29718	27328	37086	16963	16084	32928	36754	39774	41674	42893	52512	56237	56113	49439	45611	74788	66617	53189	50727	39108	56089	46474	40170	68666	73753	34189	32321	46152	41790	48558	56013	47884	50703	52468	47642	55921	56618	47099	38190	68375	67535	56688	66280	65692	63300	32508	34219	76073	71180	52496	59953	48260	47273	59230	53240	45384	47171	48959	45084	40738	46030	40026	45060	44949	44819	51217	50030	17332	8366	18164	14090	13584	15617	8356	19355	14732	15378	13189	18596	13184	15168	9622	14995	12063	14762	12100	11425	1	16108	14270	13736	18306	16199	13769	14662	12945	14866	11139	14927	17396	11888	14136	13960	18403	20041	13434	13117	10907	10284	14857	9814	13843	16645	16306	16230	10175	13743	10219	10354	10248	11291	9355	10685	13399	9882	13213	14471	11619	10396	12105	15600	11425	13173	10020	11351	14280	10804	15082	15458	12066	16475	12977	13004	13477	15521	12638	14857	10299	12163	16135	13599	12483	10232	14860	15391	11429	1	15312	12138	12016	15426	9982	11051
Methyl jasmonate nullnullnull 8.688456	34346	53062	1	1	15911	1	1	20089	1	38171	9042	15392	29068	11856	29681	55823	42268	48317	40547	27790	34700	40521	13098	1	1	17858	18197	11321	1	24265	44547	72339	66667	62111	49070	41334	35724	59345	37656	55667	88512	60573	64462	56432	43113	42808	55901	34385	26359	41229	65203	64498	66566	67144	1	1	53360	59501	40457	40666	59597	73142	17319	10629	58730	51523	24063	12117	25810	25034	38525	17841	83504	86256	49602	43690	45024	43268	68184	94113	82109	33204	47942	37723	34729	35842	1	1	30130	1	19848	23300	63783	62591	41817	36537	38981	20365	76116	72455	50081	40460	65037	49733	57660	57686	15441	31505	76732	84443	50902	70813	192286	62658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H9 N7 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30792	29055	1	1	1	1	1	1	26597	26131	1	1	15358	15659	1	1	32020	32917	54601	51943	27487	36030	1	1	84871	89854	69501	71848	53303	52230	19590	23835	119275	133733	59742	65230	38320	34517	105431	93595	30562	30842	45669	48634	17812	16528	36838	37044	37387	39468	64793	65059	1	1	13231	1	1	1	40809	37944	1	1	1	1	19538	21078	1	1	1	1	14891	1	18049	15073	16184	1	31189	27557	1	1	31901	31825	1	1	15228	14492	12180	18104	1	1	14968	17064	1	1	1	1	1	1	1	11426	22932	21093	44518	41693	55781	52634	35818	45129	46894	47248	175103	184488	62032	53011	69660	77111	40712	47484	86572	90390	30823	31688	142148	134750	280960	268900	55905	68755	162010	147639	286284	503834	44048	39370	188622	185106	62554	58060	119375	120424	84206	87239	143983	125745	162337	177490	184324	185598
C22 H24 N9 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140768	119120	107048	116304	1	150742	111357	124391	113825	112893	115742	116494	113045	139787	82289	64570	1	76034	64899	79623	91717	54761	86963	52970	55842	70754	81773	82488	65515	48830	96283	72050	72641	73396	77017	65974	91826	86343	76572	94715	29588	86341	103398	86308	62598	58878	34338	63873	61819	86059	62831	69984	84602	87218	118268	65970	46652	49390	47516	46616	32065	36523	38620	41732	14743	47937	35786	38143	41210	207472	28011	47427	46623	42868	36420	39830	38895	43758	34586	48153	21175	39382	51936	37471	39028	27104	30038	1	32999	38156	37502	49592	28527	45540	42581	42074	40348	45018	39989	43448	33852	36641	43647	35766	41442	48103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.3161@13.677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46079	72995	15038	37650	12691	47250	58697	19220	698300	108525	181887	52000	37038	19331	34028	6545	24810	38243	40555	12696	68249	88619	21293	61869	33250	51160	82283	31934	60882	14829	80693	33901	100180	59883	25901	46266	23785	26343	24601	58673	139606	23805	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9775@3.1109986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71325	1	1	1	1	130884	36184	1	1	1	1	1	1	1	1	1	17962	1	1	18970	1	10804	1	51225	729180	1	1	1	1	1	61786	25642	1	1	1	1	1	15338	305495	1	49162	1	127162	66075	1	1	1	1	30381	17655	1	1	1	1	1	32117	1	1	1	1	1	1	1	1	1	1	1	28789	1	1	133987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39937	1	1	1	1	1	1	1	1	1	1	1	59685	27501	1	1	1	1	1	1	18684	1	1	30505	33700	1	1	1	1	1	1	1	1	63653	1	77667	1	30505	1	73893	1	1	1	1	42538	1	1	14240	1	80032	1	1	72698	76432	1	11841	1	1
258.9@0.8793195	54103	52281	66567	52875	38657	39114	54400	38404	63434	44808	37862	51629	48626	39370	27657	26173	41408	55471	43511	49746	33022	34047	39084	37384	41967	65400	41101	35836	37474	37969	60801	55545	60677	59998	52398	61987	47159	54868	39098	41679	57830	51868	39680	40598	31948	30611	38672	46764	48896	49108	21824	20579	58923	41248	59069	53139	76238	63200	66580	64929	56961	59201	71537	74450	62660	63819	63838	68890	50936	51061	75840	73219	45406	40958	64085	67818	69462	63198	53982	55306	61839	64704	64206	61414	45646	48534	64172	67372	62654	68870	67341	71578	44666	45882	72217	72177	67297	72766	57225	62468	70596	67039	58883	61075	66408	62364	62670	62836	54107	55790	63700	64434	75335	75249	1	1	1	1	1	6416	7393	1	1	1	1	1	1	1	7638	9614	9181	1	1	8386	1	1	1	8442	1	1	8648	9177	1	1	1	1	1	1	1	1	1	1	1	1	9103	8884	1	1	11296	9690	9619	1	1	1	1	1	1	1	1	1	1	1	7183	8704	1	1	1	1	1	1	1	1	1	1	8522	10298	12852	12523	1	1	9031	8483	10451	9603	1	1	10092	6920	1	1	6756	8782	1	1	1	9406	9067	10445	7730	8741
105.0407@0.97600067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10424	8395	11409	13273	26697	25909	17412	22896	25891	26443	21877	20897	49588	45914	46586	46080	39185	39025	22603	22462	8326	9439	33784	30521	19635	22065	25159	24683	62741	62215	45096	38872	34888	44928	61449	7575	36671	40574	26617	23449	43376	47882	16965	18963	9493	7723	9484	9388	19228	19837	7375	10258	8284	8266	14809	9507	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
325.9163@0.8455329	31135	31008	30451	30201	28061	28862	32322	28651	32355	32054	31627	32328	27437	25325	25681	28635	29910	33486	29117	30563	29067	27794	29347	31364	31136	29389	27218	28666	24522	35605	45295	43835	48015	44844	45914	44994	46299	45547	40056	42719	44812	43319	42302	41932	40834	43112	38745	45735	44395	44735	25278	20849	43703	40836	52035	50880	47275	47695	35389	38977	25117	28440	21343	28960	31677	27961	28958	24310	30788	27797	34498	30134	24394	18351	29243	28280	25447	24488	28093	19861	34015	31452	34628	32598	28926	25194	35374	35773	31416	37910	35676	34064	24002	26926	41690	44713	40845	41848	28401	28298	35773	35939	31447	31061	27593	24507	28770	32907	33238	37470	28036	38357	34175	29873	14084	13516	13042	13388	16357	19389	21441	21277	16952	8688	17029	18848	14207	18481	18570	19700	13680	18180	20268	19495	19904	17878	19432	12231	20130	20430	20723	19211	20599	16740	18580	16797	20505	15756	15461	10471	17216	12760	13332	15913	22096	20564	13285	9708	28253	28345	15212	16938	8930	12384	14170	13226	9838	11329	15232	13592	10881	8529	23613	23214	15726	16541	14625	12699	12848	12031	14923	16046	10094	8632	23488	22551	28626	25884	14871	10986	23604	23541	25370	27255	12639	13417	24604	23654	10321	10515	20307	23298	7922	6478	18441	20094	25501	26081	17479	22830
D-Glycerate 3-phosphate	13185	16351	22458	18564	14409	15226	13753	15308	18142	10920	12346	15670	22787	19201	17412	17731	18031	13658	14103	11488	12519	7737	66030	67624	13646	14624	11857	9889	26724	27176	67995	72298	53225	52262	50678	48892	41972	41372	69498	71829	71545	71640	23220	28959	187374	182697	141675	141867	18344	18354	22478	23091	64425	65565	16195	13654	41022	39915	42401	45999	59556	56401	58436	60791	59170	50985	39711	39474	34197	38882	85951	82666	42937	35079	17254	17264	20882	25270	43923	49394	87149	84571	61896	67934	32717	30926	80845	83349	47175	51690	94714	103110	48598	67837	83802	78860	105861	103088	60848	55575	67286	65360	56824	61971	68604	67561	21657	21633	62757	58678	41430	33018	84796	76516	98198	102107	113025	103663	100978	95965	57789	51962	33626	28809	32715	35040	115601	119764	44277	47498	46133	48818	26289	29528	82603	82245	43750	43940	32114	34375	22159	20486	56447	58808	92810	93401	129370	130915	109983	100841	46234	48809	120788	126965	44155	42159	108255	112882	187160	193955	30947	31069	97613	97491	32022	32066	76078	81664	83178	75893	41518	40666	60588	73247	46339	49230	99298	99005	40329	41266	52317	44184	33501	34952	68857	66844	78825	78632	60602	54215	80489	76207	49912	68791	49689	49556	47877	49869	34661	31797	49461	47684	46685	45716	76072	73787	60999	58250	53105	47852
443.8292@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91728	86678	89238	84553	67851	67662	102015	105399	99387	107463	80542	77740	59076	59986	67692	62972	97767	103655	102259	104829	79953	82022	42227	44673	62197	63771	73250	72082	49799	52216	51161	50412	59506	59958	50609	49643	60964	69834	66464	63369	96408	98820	69610	68309	82276	80055	87679	86072	95822	94266	75696	75129	101920	88406	100372	101151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O S3	158271	256501	241254	158045	255142	250367	233299	150206	146133	66792	248911	47719	142118	92060	151282	74181	141335	161632	240598	1	259731	257215	24414	150815	241566	255021	153395	165119	157000	152656	339891	309632	302687	180028	315701	308007	313237	315770	300248	312496	322384	325148	329513	322899	330763	342628	313309	315914	355764	348581	294473	381949	309448	326614	339905	344630	329470	325103	21522	87228	22626	98324	194612	217739	119208	135964	55138	100878	140303	19390	152421	189892	52114	13132	68528	100048	95465	79143	67800	79290	43572	189137	188849	83182	94875	106844	124210	34354	121414	175087	187668	130563	571762	201615	155210	144994	199563	205524	63169	97439	255018	110386	17813	94361	15774	90930	131647	11490	116921	116568	23525	99522	1	75945	263688	266640	259442	275818	275487	278932	89037	77894	94318	269707	267000	263511	273656	76508	257730	98050	259022	99443	82002	258748	102770	60267	101726	257169	262281	258478	182074	245852	261563	270170	270546	258952	274112	261966	277711	274884	188483	254045	286526	213902	275812	268210	77849	277518	276879	272041	270662	254352	277507	282945	308623	123420	296660	193799	217047	1	592444	241766	71565	302105	311189	97432	313338	306837	132713	259700	138405	126415	300438	139044	66854	268566	271968	65973	302911	120905	293735	285702	294259	304953	321995	306000	243563	89303	316300	209544	289285	318330	330950	444772	316445	144892	195680	313348	334530	242358
C24 H2 N O22 S	66449	65706	62158	62265	67406	67856	62035	59900	65407	63166	70085	67131	71224	67736	69243	66585	63860	60028	65239	66251	68333	68076	59301	60084	73153	75634	71765	70031	63726	61566	41490	41020	41932	43281	38983	41549	39036	40661	49409	50593	46485	44201	37562	40176	38838	37779	47880	47079	26539	32470	45758	44151	57899	54848	32015	35141	53969	55271	30749	31952	34175	32985	23888	20953	34376	35517	34382	36121	31766	32877	13815	10448	67354	62924	53874	53753	38941	12253	10743	12455	7699	11564	15945	19060	28844	30702	10983	10566	18278	20965	18651	18498	25035	53478	25265	25544	34855	34674	61559	60016	46390	41334	58766	60761	58306	57711	50021	50269	57353	56454	54890	56455	90876	62815	28602	28262	28664	25293	36040	36149	31387	30197	22276	25830	33123	31865	29795	31853	33453	31772	32389	26446	33897	32967	29906	31278	28628	31879	31131	33840	33582	34032	30524	30898	24258	25227	28227	30671	23698	25489	32590	31148	25489	25377	38498	38100	21781	23380	43592	42634	32568	30781	23539	23097	46320	43687	43704	44773	44576	46333	32139	32011	56244	51304	49076	46628	42193	44399	48073	45066	50743	49653	41814	40659	60456	60448	58707	58879	49236	48868	63341	59436	63579	62754	43735	43443	61217	62523	44793	42822	60386	56481	36751	33730	61400	59036	62577	62188	60676	59045
72.0212@4.2039995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20906	25440	28871	1	1	1	14491	1	67961	1	1	1	1	1	19911	22355	23038	1	1	18671	19153	1	1	61009	1	1	1	15312	23553	53854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C31 H41 O9 nullnullnull 9.063036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15401	23491	7889	1	8849	7850	1	1	7142	1	1	1	30240	23316	1	8120	11568	11428	31811	30095	105222	58090	47967	46995	25526	18206	13104	13221	27507	19078	12995	15373	25485	27373	40661	34559	37530	38637	22312	19429	44429	40301	21448	22780	37467	29731	1	8583	57647	58821	28391	26546	51915	47493	1	1	7975	7611	12277	12277	7426	8020	1	1	1	1	1	1	1	1	1	1	1	10319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9120	7192	1	1	51207	51895	1	1	11822	10694	1	1	1	1	1	12995	9454	1	1	1	1	1	21186	23185	28773	15833	12130	17013	8898	10677	1	1	1	1	25552	24037	31568	28352	16440	16571	12912	14236	12474	12281	8246	12842	23119	18093	1	1	29321	15812	1	1	14503	10100	1	18344	24564	20379
198.0511@4.208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11481	11940	1	1	1	1	1	1	9195	12344	1	1	1	1	1	1	1	1	1	1	9847	1	1	1	20480	20338	15989	17667	12263	12375	1	1	16805	15024	11190	11500	1	1	13262	12223	1	1	10813	10892	1	1	1	1	1	1	11614	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.2340354	174220	187174	140333	82501	123352	123747	80802	163864	150587	111452	105518	109634	140074	149131	196867	139870	117725	128186	145488	106081	95788	96991	123195	193759	113607	57830	154564	69709	154517	167346	102048	95189	128691	126795	112015	117593	115502	104203	97760	122541	119112	67758	80548	94520	118717	124680	129371	122803	76080	82316	48855	46023	147048	122271	68279	67996	187863	262847	142987	146526	146931	129257	360385	548412	155909	148803	121940	119787	110782	109784	258978	263368	101030	95635	196966	203144	133585	125063	176007	181925	238239	244404	278867	261580	129573	128655	310905	327317	263137	321119	50810	242084	114346	105926	310442	322312	308317	285610	154368	149464	415988	382611	150487	169001	165886	158947	177392	171989	124195	137781	124582	124553	242732	197598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H9 N O16 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44026	46273	50227	48815	80289	81530	36639	35402	32698	32592	17562	16310	63494	64905	25558	26737	22018	22995	36471	28952	43606	43593	62259	63956	62298	64521	13133	15421	50817	50503	58525	58993	57082	59422	39654	37743	70555	68926	74137	77376	32668	35795	74524	73921	55438	55715	50923	49650	11078	12231	44280	49782	45256	45674	53371	58670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.747@0.85626394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71114	76364	70424	68760	90349	86928	80648	84984	76334	79277	62822	67412	97722	92835	48158	49564	54519	66173	78239	85368	74520	80224	61932	65154	76305	75746	69850	58131	101486	93409	81139	89702	91460	84491	53827	48715	99959	100765	87156	87978	68280	68485	78000	81420	66942	63583	76714	70334	61920	69729	65605	65625	59022	72609	80219	89248	24104	22654	26731	23956	27763	28466	30292	31830	22857	17928	28991	28364	29405	29963	33645	26212	26357	30168	26537	28865	25309	28128	28979	26512	30854	30913	33869	29978	26175	27329	28150	28496	25641	24001	25369	23188	32941	35450	25941	24848	26143	22059	20332	19058	36328	33939	29106	28077	21630	19907	14061	13760	14064	12928	14603	15059	15203	14976	17738	21268	16948	16822	25078	24654	14970	15056	17045	18972	10321	12391	22022	22811	25120	25698	16211	17175	25367	22105	29293	26143	15320	13655	24367	23291	14485	15562	25874	23548	17892	18454	20570	21389	23562	25762	20125	21412
432.7799@0.877736	78145	69805	72447	73065	58351	58044	74475	74347	79960	78772	61365	65689	70873	67815	51665	48858	69719	72418	70162	64020	55045	52665	65039	68466	69439	73244	65076	59214	64795	72495	42155	40919	58472	59873	46074	49917	50745	52936	43647	40031	49564	52824	33503	37678	25734	25426	35929	32899	31438	34294	18526	17444	43993	38896	52403	55012	69332	71305	64635	57945	75983	82022	64745	61941	64804	69110	82345	62382	63514	59018	55682	43600	40448	43930	57850	56489	71374	58554	67900	67747	53185	54953	64677	66183	57186	62174	35663	36823	45008	44713	55431	53576	53194	45814	57404	55461	65959	70040	63056	67070	70172	62936	86293	72798	79129	70121	45816	42120	73408	83489	78932	60361	99662	76978	14783	15202	16950	14972	18553	18428	19989	20725	8226	7080	19348	18784	17723	19073	21391	20585	17416	16569	24178	22155	18837	19257	21894	17663	20025	20663	20535	24365	17001	16408	14238	13486	12730	14507	11229	9060	19891	18886	12399	13520	18776	19961	6458	8407	23938	25137	19334	19304	11091	10129	1	1	1	1	7614	6581	1	1	16009	15398	7300	7311	12510	11529	1	1	10378	8913	1	1	16676	18776	21331	24705	6968	6879	19394	16006	20877	19238	1	1	19030	19548	6140	1	16376	17734	6877	1	15503	16750	23598	22632	17691	15974
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649.8648@0.844895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91673	88278	87765	86522	31126	37611	107508	110255	106409	110142	105595	100937	20046	17967	87091	80462	124983	119708	104021	76727	51581	52673	19556	23156	36293	35842	99226	89609	19824	15827	25252	25733	18468	21471	34894	35275	27562	23334	41421	30017	108446	110558	40052	45611	75866	83359	83312	72957	115859	117963	87254	84658	91300	92277	77086	89081	36333	35226	39156	38705	35256	34388	38919	34455	39095	37845	33869	36823	42182	38642	34666	36052	38914	38632	35498	35721	36293	33967	33507	39713	36256	36471	36550	37343	36995	34545	37816	42087	35230	38421	45403	40175	39254	35704	38764	39087	28628	27758	42063	37244	31899	29153	34074	35621	39767	38487	29697	31091	31146	32035	27882	27611	45932	44002	23927	24621	31677	31588	37062	37282	34129	30989	31115	32018	34207	35390	26527	25073	18619	21785	33793	32784	23204	23854	23841	24564	33682	33521	24811	23097	32723	32341	28076	25024	44033	45159	26808	26404	20915	23172	26938	24783
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215.8958@0.8786146	142026	137001	132690	126781	157567	157470	124701	119359	140865	140076	164551	156266	147657	147494	121683	126444	134505	134691	129044	132220	157044	154343	100896	99856	155418	162285	145038	145819	115349	120545	201650	206550	221297	223289	212291	212903	217151	209552	176586	175805	196575	206110	196348	204339	195296	198107	195977	197673	231051	246603	132048	146526	187462	186942	258301	255665	208734	212875	69619	68043	70698	69413	34243	33398	79552	72908	75856	73332	86963	84446	30321	39001	86071	79921	99987	99750	65139	61914	63523	58909	37887	36784	44687	45033	88668	87276	23614	30484	28805	32737	35479	35633	51906	57711	31874	36588	43943	45828	94356	95415	48698	49112	80013	83461	85474	83859	105142	107201	90691	92019	88244	87077	93766	74701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H40 N3 O15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11829	11849	13771	14346	37017	36334	9914	9521	11686	10111	6661	7823	66175	64792	1	1	7309	1	9073	8967	16785	17513	50506	50805	42338	41756	10244	10402	79807	79621	60172	58813	59816	60059	6145	8022	64802	63064	54787	52821	9114	9094	40919	37857	16327	20948	22279	19283	1	1	14948	16664	13721	13268	28532	23083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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(S)-ACPA	45352	34875	19477	27091	17062	14281	24960	26909	20486	22402	17423	18009	21745	18430	21339	27934	28439	26427	28331	25713	19011	14333	24130	24056	16144	18763	29805	20451	27934	32869	27331	28631	28649	35776	60763	55691	52724	50550	33877	31493	41385	34210	57922	51522	18592	30486	75803	74075	25271	23108	56692	54363	87913	83781	10640	14861	81975	67475	37594	38503	52606	53467	70628	72144	38451	39283	41996	44283	38959	45275	94591	86357	26677	29172	37179	31247	36814	38865	39347	34503	54047	55407	53228	52199	39473	40550	86143	98607	85577	85154	60583	61286	38620	32059	66041	73034	54798	59900	33348	27246	92217	95158	46107	40992	47104	42655	36000	33967	47926	49700	36108	37366	46058	61044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 1.3631426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70976	68210	209204	223055	63306	72867	116514	150398	241049	237739	82232	105589	23155	19441	490869	875529	230324	165464	138497	1	1	1	1	150847	42311	51586	86934	48972	1	1	60266	25498	1	1	1391511	225113	1	1	64876	1	105052	137104	81269	1	142846	137611	155638	348805	215072	148823	225085	149138	149401	291462	322561	274268	1	1	32810	21690	20923	1	1	56704	1	9923	1	1	1	1	1	1	1	1	1	1	1	1	10203	25260	1	1	1	1	1	62556	1	1	1	1	26315	1	1	1	27761	1	1	1	49626	1	1	1	1	1	14327	6353	135419	125038	138118	60505	141275	139405	135023	145491	1	123188	144660	139748	124739	139459	220095	124054	159689	142331	142129	160276	1	1	118781	79171	74012	155503	145084	141786	141760	1	186345	157962	175153	157325	167815	165654	136677	1	226073	186130	139077	158083	140620	135573	169077	1
C13 H2 N2 O4 S	36435	39203	131950	136034	106287	100041	114256	114295	124690	117362	104166	105098	44060	49042	94059	92931	37183	42232	116810	122101	16324	19939	18086	18008	24253	25066	12685	12745	9564	10316	54751	54112	51327	49576	53489	55884	23243	25578	26720	27527	22919	21091	26054	27668	21209	19759	25255	28699	48394	53351	21783	22870	204762	201410	191625	172916	114983	116597	25174	27985	15957	17050	16529	14207	1	8351	9623	8538	12918	13766	14417	11288	29668	27670	34063	35517	15553	17505	14220	13494	10427	12540	16588	16377	54424	54619	33732	32088	81301	88056	17466	15696	36294	38126	96460	97430	55488	57415	31663	34408	78391	79224	17231	16194	46461	45248	17700	17351	15176	12216	14303	14187	1	19491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isoleucine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20307	1	1	1	1	1	1	1	1	29239	18269	33844	1	23618	1	1	38763	43318	64697	56001	30076	51594	1	1	15296	80044	67862	60584	42084	44897	78720	28398	134460	143940	81016	76575	47940	49967	117754	110489	42028	44251	72800	63167	22003	26541	47846	48441	47486	50721	114182	100559	23740	24220	42541	40454	33383	33787	105806	113210	27672	27436	36190	34330	59301	54509	30882	27808	42449	41417	41035	41594	46188	43165	44506	46289	77871	75882	38669	41273	85816	85474	27770	28062	42108	44360	41430	41795	30850	28182	46793	46619	39050	36886	28550	28981	44017	45588	33597	32362	62926	53637	117359	130790	158904	160447	114807	109699	111802	112567	459626	476045	150852	159728	208160	199145	121888	123901	254096	259627	87353	98404	323523	340649	602405	581147	193374	186615	356790	379230	531058	1243746	101933	108798	458977	463097	147227	130469	293278	261484	235242	1	303368	343519	420455	420572	378058	373824
832.0068@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34734	33436	1	1	1	1	1	1	47988	49746	1	1	1	1	1	1	1	1	27898	31372	18419	19809	1	1	78989	77660	54600	55959	37176	42164	1	1	55044	53119	31772	30406	1	1	21776	22469	1	1	1	1	1	1	1	1	1	1	1	6641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
58.9826@7.393003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22558	8664	71423	17226	16441	30016	23887	23230	13950	1	29334	30839	36450	31197	1	16399	34506	40069	13827	14176	32076	21758	34709	143152	23806	17791	7308	16228	1	23011	13635	25955	23849	10251	16669	82277	13798	66243	32548	31180	20965	31971	72962	34733	41935	18508	32079	8967	23775	11841	27461	19985	1	1	1	28191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
584.9747@0.8382502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24442	24986	27882	28627	36106	36200	18979	18995	33053	31536	61819	61890	27914	25602	42313	37897	47126	43755	19471	6982	8616	9381	21245	24408	30782	36723	58749	66591	23891	24468	33455	37244	41502	41290	32931	46792	48357	47211	68314	65982	35974	35957	65100	62479	38716	40314	50371	53406	83970	82802	54619	53813	44797	43792	61888	52508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5658	6015	1	1	1	1	1	1	1	1	1	1	6116	1	7806	6590	1	1	6899	1	1	1	1	1	1	1	1	1	6329	1	1	1	1	1	6013	1	1	1
C3 H4 N O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12673	14718	11487	8993	9349	11937	11507	9668	12001	14150	9725	10568	11241	10812	9584	11420	20413	21115	19745	12027	1	1	1	1	7852	8377	9544	10088	9594	12324	8199	9697	12986	10832	1	1	11932	9028	11909	8839	11943	13551	8341	8544	11669	11392	12956	12393	23454	19553	8741	8439	13600	12953	17530	16840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
733.8244@0.8434919	87487	88555	92871	85284	93285	91099	82805	85048	89014	87399	91332	97100	97103	90938	89371	86018	84053	82876	92213	94225	89454	85569	73347	72364	88025	86347	83231	86083	77035	70597	53871	44217	49480	54325	45757	42975	50771	45956	48529	53437	57773	55469	46491	40704	50444	45880	61368	51340	41688	43008	36114	32302	60050	59120	44619	46013	59476	60684	85485	81643	79171	79591	52094	58801	81385	75280	86207	84133	67081	72466	36471	36397	68891	66595	77796	80451	74667	48711	47722	43452	39019	35586	47668	52343	68889	66705	30619	30811	31037	35505	30332	29248	44220	46331	42341	30482	45936	48556	72701	79718	57571	57344	80288	78406	80593	84719	62476	62308	80014	82289	74178	78003	81471	80662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.1414@8.421446	1	29789	1	9119	1	1	1	11563	1	1	15836	1	23101	23372	36326	36443	1	19598	1	16841	19823	13527	1	19259	1	1	1	1	1	1	1	1	29943	43435	1	1	1	46017	1	1	1	46071	1	28079	1	1	1	1	1	1	1	1	1	1	1	1	45767	1	1	1	15076	14179	1	1	1	1	1	1	12473	1	8716	1	1	1	1	1	1	1	1	1	44949	52063	40136	44773	22130	24959	13338	14884	1	19225	16225	18466	15615	8664	31178	25226	46125	46192	18993	25043	41774	42035	16971	1	24369	1	1	1	35838	53055	14147	17836	34322	21632	19966	19029	21303	27503	31145	28953	29721	19020	13336	37731	60750	20841	15960	26945	30113	66170	20727	56624	26552	21727	82894	11311	76072	84655	16444	20171	14039	58578	62744	64648	21027	57631	43482	19076	24777	28761	56124	53656	14319	13955	43724	43644	23350	14052	39848	37547	54907	22632	25733	26085	1	1	1	1	19027	14625	15343	13042	25758	29063	1	1	26770	26371	1	1	1	1	1	1	17426	26294	79363	10733	16119	13564	12340	13887	10574	13238	9623	12365	21019	21163	1	1	21245	16815	11475	11413	10409	1	1	1	27897	21236
1,2-Bis(4-nitrophenyl)ethane	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13430	12874	11418	11383	37056	37930	7584	7760	1	7245	1	6905	42022	40003	7871	1	9739	8752	8776	8928	18034	18250	29713	30465	25088	24918	1	1	59141	62540	41356	44115	33345	33843	7914	8534	41799	41003	30077	33954	11796	11874	41104	34447	11815	12747	15620	17922	7491	1	11701	12289	16004	16168	23508	23362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17423	1	1	1	1	1	12510	11427	17158	15246	135698	1	120446	149374	102526	121298	11586	10965	21400	19316	8872	10585	19356	17622	15424	16051	24667	29120	106966	109879	12855	12790	39586	46150	72949	77336	11287	10779	59077	56073	10807	11862	28267	27800	111490	140453	28940	29488	28149	27967	97378	80262
326.1919@11.021022	758258	744384	810272	972973	1059474	773627	761425	864206	1017517	934295	904951	941457	921477	577099	842506	847352	930650	613977	613600	442950	431781	709310	907111	759619	1021338	1038057	1007128	906175	998743	524044	504322	934968	475840	547329	477092	612763	865395	481343	535424	484847	536924	517475	825862	679111	767995	524225	858588	576020	513450	533671	70854	1091129	889616	1108465	909427	1026002	1029984	677937	123990	120389	141214	122390	128124	107744	130421	125521	119325	107156	118196	120472	117454	114539	143593	133843	66251	54330	39064	41935	63455	61210	117012	50280	103276	75605	60367	63841	37727	29296	34173	36650	43789	38337	37530	38547	64893	38286	51778	45408	76511	73077	47504	42112	47153	43701	47873	39629	64821	66767	70223	60623	44476	46516	562284	50695	73105	61280	100586	89157	84202	101546	77296	88194	75315	77141	71248	67128	78795	81310	107739	92086	70825	60959	81914	76597	88470	95975	74210	74374	69398	78594	61827	72600	85884	79477	80260	70275	128215	103782	86823	75664	58008	62524	83850	87286	108663	90689	162134	155977	65488	82639	82340	66793	93376	91794	305968	408038	220845	384970	435453	413088	402900	386220	438295	386636	397412	407508	386382	394555	401167	369738	397072	377848	326737	339083	348036	428852	357643	408116	359336	393571	355472	337349	345202	231324	339058	390761	408555	376615	227422	327261	395472	405519	380968	424044	408246	387185	402133	381259	423184	357725
Oxaloacetate 4-methyl ester	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42240	37283	40506	38988	84539	64826	104933	145207	42631	53190	45599	47526	21385	8486	20613	42363	1	24018	19629	12931	91390	24126	53433	41355	72905	68387	198488	188957	74067	125918	70673	135913	79122	1	70186	35676	23428	20478	189418	150837	25193	25339	15026	14145	21396	1	54927	1	160379	1	35845	91075	52409	14463	65603	69788	89867	78578	81439	76159	82540	92585	70678	59270	56698	65454	63920	77600	56507	54812	62620	78380	42683	56724	58900	60148	76720	79408	66584	70250	83363	99856	49707	57225	78452	71106	70786	56243	101261	92125	81051	82168	74929	60804	45325	43213	71664	56500	85066	86784	60298	58397	62432	62133	37285	39796	39706	47257	45215	37375	65240	61752	49797	47410	50429	52194	39566	40574	43737	52309	49862	53294	47542	50083	50577	44047	44789	56706	60604	59362	32770	37661	71067	57953	48034	48051	48248	58474	48482	48839	55098	51460	40008	37038	52848	56222	32752	36856	42781	39691
550.8986@0.8839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34872	37038	37357	37242	86731	85074	24562	25795	28571	26727	21076	22064	87010	87995	20992	20445	22965	25640	28065	23260	33936	34768	82101	75392	68614	68163	21270	20118	81530	81163	81989	88315	80683	82833	36737	35632	90492	91273	85405	86243	27420	31319	69059	71042	39521	42205	39864	42697	25503	20453	40687	36599	36240	34646	47203	45559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.8533@0.8979656	38173	35165	31744	33747	40073	43030	26286	28919	37091	32864	36821	37612	35274	39208	30658	28793	36491	34260	35561	32966	37496	37811	24673	26732	34591	36197	31849	30027	23108	21891	63619	66423	54274	62694	63203	61991	62471	53714	53643	53721	66234	69115	49705	49846	56719	57308	47839	49461	50630	57999	89264	76743	60882	59451	70766	81724	57503	56440	29018	27266	30358	30303	30988	31235	33268	35539	30834	35017	31228	29552	17504	17500	89653	88572	67048	64752	72937	87965	71804	73281	29413	30535	47460	43298	57291	58524	16461	16621	24151	26486	30919	30130	48092	92941	47327	41906	47053	50303	66269	66739	52512	51872	51856	47631	50851	50000	68332	68125	47663	50483	52892	50746	22735	45471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.8005@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28523	35939	25472	27210	43393	43782	31293	38333	25139	35279	28263	28449	76222	86285	12297	16868	34685	29938	31788	35223	32210	29893	52175	45419	47123	47755	26877	22548	81454	73668	55555	61096	62632	62690	19915	19762	54351	60047	44475	43826	31367	39843	42407	32774	27036	32484	31223	35808	32654	30771	22768	22783	19217	26680	23938	29189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.8241@0.8767817	55156	54976	57707	61322	42002	44766	55329	58736	54753	58249	35374	43414	51637	51354	42536	45267	60849	54843	54999	51956	40396	35304	61954	61425	47334	51364	50015	51574	62815	59631	24132	22366	27931	26133	22986	24998	26956	24462	22651	21188	28061	25050	16103	17382	16423	12720	19405	19502	16684	14734	8204	9417	26422	25228	23614	25348	36966	34904	85040	80456	88140	93702	86331	93105	88474	85868	91946	86460	80231	74330	74981	78414	55043	50232	78007	72456	88966	98122	96011	102437	72845	80885	91561	85822	78536	76151	57289	55422	64815	66732	71088	67974	73464	61913	72201	73638	88032	88402	75854	87153	94714	95846	89362	88099	90610	94368	66776	73822	86315	86647	92191	96332	110441	100193	14791	15329	14547	14756	19642	17746	19910	16661	9495	9968	21373	19460	18783	18646	23413	19977	18085	18690	21709	23696	18411	21919	20516	18079	19449	23378	21484	22882	19679	19089	16139	14513	14850	15158	11623	8687	21557	19413	11645	13860	24298	21807	9628	9208	26460	28390	22126	26153	12835	12579	6615	1	6562	1	6470	8947	1	1	20051	18690	7072	6418	10985	11454	7276	6314	10180	10099	1	1	24227	22948	28916	32904	8797	7450	22592	22636	23121	25786	8024	6690	21899	20768	6779	6620	21695	18330	1	1	18814	15480	28001	26900	21938	18594
593.7638@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101689	93118	80702	75702	108564	92533	77885	76059	81140	91701	54032	60564	95165	101964	61034	54776	86776	88116	97629	88755	78200	71521	65145	75421	84000	88701	56763	65084	59029	83870	78514	64668	67816	76804	55695	56376	81676	81912	85431	100241	72173	75412	95778	88738	88872	82672	89781	85660	89435	67647	79669	81265	85625	88084	110657	106274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.9876@0.9896505	63836	48841	23088	38626	49312	46776	20132	21309	42830	40717	63182	60229	103401	53064	47959	22044	256834	76750	88744	49811	71855	82494	11973	15078	64865	43665	34530	14330	16915	8420	139551	139577	134115	140423	139820	138829	139930	147714	108370	104034	131254	123368	119615	121044	66645	64797	92448	20944	135969	147690	119868	106912	113431	98374	179679	177084	167980	159828	100654	98834	78786	78644	70932	59483	96450	86763	100349	96181	79438	77903	29779	26585	96364	91002	153921	145980	170517	192970	135234	137656	40707	26566	37165	119728	119602	119092	24405	22591	28303	28936	44787	38516	153871	92404	31954	34840	31860	34849	64343	129384	34124	34623	83018	78541	173455	93353	159795	149268	67219	31739	119074	115364	76974	152573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Acetamido-2-amino-6-nitrotoluene nullnullnull 1.0945511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	311034	287219	405709	385272	432498	413013	177636	179381	163782	169731	529206	517294	1069842	1123071	185065	158863	406704	407486	280442	265845	450698	485059	2035456	1908688	1900956	1892870	768521	744434	1305521	1309141	1198195	1308746	1439623	1459229	148126	372267	1777247	1745752	2248883	2331594	356119	355366	1837216	1847067	521069	544012	835984	832213	602827	599046	953518	951454	656404	615622	970458	908481	35720	34704	136327	135841	36159	35874	144664	149516	12758	13285	35515	43882	103861	104276	92462	103382	66953	69582	67758	66691	34268	35018	35436	31949	66223	65742	83714	81392	60906	67320	32154	29987	77593	75878	30483	30489	93653	99718	23218	21799	81436	83015	44356	45052	81033	79660	73533	72446	43596	44348	12404	13219	8668	8001	18091	20047	11864	10980	78672	79347	6316	8356	33594	31872	1	1	1	1	1	1	40000	40965	131018	129754	21820	21171	21258	22501	50193	48546	7835	8863	51376	53919	1	1	31781	32316	8118	9881	21634	19368	1	1	40188	38015
C17 H24 N3 O18 nullnullnull 11.075295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	344750	214637	202291	1018631	211430	204598	204440	177892	207487	189053	343831	292604	206103	218897	123122	123678	143703	112680	110845	126276	99392	115817	160277	89008	74370	67624	124922	114727	120691	107076	104348	107506	107010	107787	127434	114097	110387	107862	106538	115188	114198	122823	126787	101564	121118	110100	120295	116782	506683	115028	116092	117576	120325	104352	189779	136364	104965	96877	58170	46799	82116	62927	77030	89745	85256	68760	86097	70601	77510	62937	59832	80894	71857	56036	61607	88460	87271	79855	55183	89061	63149	292866	84476	88406	62738	102923	61731	43232	58770	67815	96181	82276	101213	63166	65208	86600	100790	83900	76347	87367	87075	80747	80504	66538	82387	76689	1	60422	1	1	23163	1	29405	1	1	1	1	16700	22363	32520	1	33440	1	1	1	17922	60135	1	1	19294	1	1	1	15819	20047	1	1	1	1	1	1	19318	20443	1	19296	1	1	42819	1	1	1	1
158.9415@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55706	50560	58522	60864	33065	44381	71517	68903	71422	70309	69729	69305	31221	34399	54783	58372	65802	69114	69972	83047	64735	66794	33898	32368	39963	40648	63832	60660	17961	14581	17350	24300	23129	18508	34636	8882	23456	23607	27407	32136	7823	64892	8594	40668	44758	47913	46171	63013	80251	7989	57867	15763	67971	68671	21146	81901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.1095@11.842003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51575	26270	98267	32448	23377	64169	1	26756	97421	17725	58919	25487	37562	92419	1	1	39523	1	1	32864	1	27628	1	1	21437	1	32540	21725	1	1	37479	24363	44694	51611	33495	1	1	42739	34933	17726	1	39417	32990	28062	1	15515	15085	37988	44571	1	23818	1	16843	49276	1	41326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxy-3-methylbenzalpyruvate	54170	61121	69773	73500	41634	38379	75643	79567	93028	80320	45649	37103	56827	52319	37548	43927	93114	92696	54924	50172	35722	32189	68811	75230	60376	64619	52357	53393	78397	92584	82604	91298	155896	166341	78146	101691	74735	84850	223999	209796	80986	94961	96538	100468	130069	105712	233132	227493	42199	33265	32441	34916	191965	185607	40194	37908	123818	127393	9575	12480	6441	5836	19322	16609	9129	8325	7536	1	6746	1	26430	34043	10145	1	1	1	9304	6761	9544	11185	46551	40729	29342	25358	1	6898	52392	51421	39892	40062	22682	34016	1	1	21508	25705	23701	28884	10159	12493	19991	23484	11268	8508	19585	19174	1	1	13921	16217	15762	14739	81319	27199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H6 N8 O15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11426	12706	15162	15138	45430	39019	11604	10936	1	1	1	1	59925	61895	1	1	15522	13118	9501	1	1	1	37903	37672	23920	27648	1	1	86936	89015	61332	61218	51658	50739	7426	10156	66326	65690	37030	35544	17404	17670	28860	24229	14599	7868	9015	16266	1	1	6286	1	22903	18996	6325	12502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1463.7426@0.98100036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21766	19456	1	1	1	1	1	1	67776	64403	6238	6270	7988	6874	1	1	1	1	35052	37585	24820	24009	1	1	80057	79057	53881	53423	48357	45092	1	1	39585	40007	29461	30688	8194	7828	16008	15598	1	1	1	1	6008	7942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ceceline	6689	25035	29504	33587	17210	15731	31156	33951	27484	13970	19000	18168	20185	19796	22692	22810	20467	6090	24886	23220	11364	11044	24924	23821	22480	24639	21380	23297	12475	13057	33026	33478	46144	50620	18430	17850	14007	11843	18831	19003	25933	26922	1	11694	27083	27017	36848	31854	1	1	1	1	13048	10039	1	1	46208	49193	1	1	1	1	16938	15895	1	1	1	1	1	1	17875	20132	1	1	17217	16814	10392	12154	26187	28225	32257	13107	10963	11508	1	1	27533	31772	6264	6369	7315	9036	1	1	6204	24039	9956	8117	21961	21855	46322	32929	1	10113	19345	15236	1	1	8187	9865	11067	10273	1	15796	1	1	1	1	1	1	6867	5553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10064	9157	1	1	1	1	1	1	1	1	1	1	1	1	10781	10788	1	1	5762	1	11955	12045	1	1	9642	8460	1	1	7158	1	1	1	1	1	7777	9430	9690	6540
> limit nullnullnull 0.8367276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29560	30314	27117	30123	20121	20566	34775	35487	30850	34447	30106	26979	11461	14011	71784	67198	62485	62641	39277	11302	1	7912	9977	10305	13129	16428	29611	30712	9421	12814	17887	16310	19659	18416	34313	35485	19642	22841	30667	23710	68379	70888	38626	31149	59792	58434	53404	55934	57642	57716	55368	56718	60167	62533	84619	63254	35016	35467	33905	34012	43705	47636	32847	38260	29052	28185	38348	39304	39373	39254	40372	36067	37128	36341	37102	37785	39099	39089	38792	37779	38472	38358	39459	38815	36625	36382	29736	32591	32086	33254	30362	31105	38148	41641	31542	34625	45973	44531	29194	24174	45178	51706	39803	33335	25835	27933	57180	56283	53914	49155	54119	54636	37170	36435	55939	60641	54752	55928	48232	49952	59446	55630	67278	66106	46926	49769	69766	72095	55665	64721	61710	56355	67719	68733	61050	66162	54111	52290	63034	67299	53345	52668	70250	69002	38644	36123	67373	70379	68468	71220	65442	70792
383.8577@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	111261	105036	87757	80234	100313	92790	106302	93319	107178	102764	89517	78605	77719	90577	67457	61714	93550	99460	104130	116993	102961	94846	68099	64677	93868	82666	79010	78009	43712	48793	66107	56254	72031	73767	53772	48911	74170	75296	82198	76911	95491	86585	83708	79058	84276	83092	79627	84679	96869	90396	80778	75070	89664	89276	106181	104596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	54758	40986	103302	84493	19787	39145	106059	48463	63449	90679	19751	24585	53817	29185	48101	57404	24529	39366	89338	18774	15676	52656	60453	145574	109424	70821	157173	19468	75262	101249	23257	18752	27483	36177	24976	33165	36423	29193	22667	30080	53628	35922	16954	29284	20132	43849	18853	23682	1	1	18622	12369	48939	43942	1	1	43221	32997	17013	13586	20457	22795	1	1	11890	14394	1	1	12091	11566	15770	13942	25136	24838	1	25957	16651	1	31735	26041	20324	22516	36574	28298	22428	22626	12832	22135	15870	23001	18057	19498	16644	14055	21932	27309	43135	44834	30946	28832	50060	47456	16587	25253	26312	22962	1	9939	21913	27584	17121	17395	1	30103	44264	59654	29038	26289	45227	37727	26061	26373	25063	23390	19889	18165	40271	19250	61544	23238	28269	14924	25566	43848	43275	50793	62036	61463	17603	20678	14198	12085	17851	37314	37253	32393	15093	20842	18779	19157	47122	63169	25292	35156	38478	44199	36933	19475	35764	31248	17499	20562	22410	22643	1	1	13140	16678	32587	36027	23730	15684	35775	20716	72829	1	20114	22174	1	1	1	1	11352	1	16590	67636	43362	77898	17519	40720	17740	20539	24265	9793	12001	26344	25802	20665	1	1	19897	20611	1	1	12119	13009	1	1	20066	17993
Maltose nullnullnull 0.95750916	205412	206798	259718	258884	188914	185501	244088	246528	354727	353471	234320	232915	220939	222709	306606	304966	238676	233840	288930	291961	153251	158115	211712	219831	245665	266968	300327	294615	351765	366300	859851	848246	1471568	1522037	2099420	2092016	821085	813804	3956176	3925477	838147	824330	942510	964067	1167263	1172826	1787804	1855673	647360	678807	271052	287752	3216997	3140145	414475	412300	2324535	2291014	437003	435873	275779	281358	140601	137260	182269	178722	148787	147204	53378	52044	137805	144862	282991	271032	313756	309903	218672	221271	345322	351013	101041	101999	155477	164609	74585	67710	248429	241362	285904	302177	129471	134393	136275	167394	152026	151473	242841	243906	470092	472745	396342	399631	231865	233803	285857	280696	34457	37759	768027	763929	396562	382778	289211	250627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0291404	11413	16442	10218	10097	13600	11727	10259	10787	1	6011	1	1	1	1	1	1	7112	11785	10555	12806	1	16575	6161	8820	1	1	1	13906	10619	11024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22634	16790	1	20688	20906	11793	21994	20418	27261	20591	22849	1	17892	17697	13681	1	25667	26172	1	21006	20594	22338	12886	1	13565	13023	20127	1	1	1	1	1	1	1	1	15861	17821	17990	17293	1	25481	22047	17199	16580	21164	18833	27069	25216	32711	28307	16638	22435	20400	27525	30990	24446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
165.9659@0.84681714	453160	438452	455345	438977	411851	419256	431851	439732	427318	419853	436155	421756	464973	430197	410351	342188	441656	471887	411359	449610	423985	431183	419840	413137	404038	404795	435203	383027	445563	452268	394065	400278	363661	372847	372861	330359	377510	384123	350922	341314	385345	363800	371061	383729	430427	429293	376602	389695	453812	449905	234341	247147	368468	356033	425965	409900	334276	343913	578870	581647	481869	505048	516912	548387	473476	478443	463762	484245	487516	425103	739861	716906	329601	337549	371407	390461	409176	530767	600067	621729	693026	629022	617145	554542	460778	425972	622801	583251	494744	530142	513230	525855	63219	283770	520608	528986	476733	514350	397378	392592	440510	406528	382879	417051	385826	358921	381410	377460	380864	387566	360004	387674	63546	405283	549346	523264	522905	527371	408890	430632	536431	525730	542725	523723	560328	531381	533244	525859	559286	543433	548870	565264	563065	570412	585643	575464	593655	580424	578466	559776	542537	565068	572662	575984	551174	563184	536797	532643	540192	536657	550070	559798	532610	556179	458281	442594	559115	560251	424573	434096	559107	575412	531110	561572	304498	251006	245068	275956	266011	323426	277678	335054	291313	333135	255999	250882	296982	382147	383915	373505	252270	261050	360258	362231	245762	248582	325080	385718	343665	286045	263612	235892	331645	357968	299006	298982	294444	349607	308502	371734	230502	250040	303695	308326	284525	289129	231266	245130	308413	372125
o-Hydroxyphenylpyruvic acid lactone	101147	76864	86640	84160	67481	59482	88370	86739	121038	105186	88756	73659	94893	89710	20100	43719	98133	97613	88293	78658	50777	47721	49043	73990	87903	88575	57921	58775	69952	62733	48420	51402	61029	62054	58532	53525	61284	53328	46919	51316	56631	52011	20796	40680	1	1	37947	45659	37142	36533	17017	24056	54910	55457	66697	57193	68684	71962	72630	65935	54213	51824	92310	73410	62960	62631	68867	68202	52243	55182	76058	81063	49064	33796	81783	76286	71505	81846	57312	65653	30982	12561	71652	71078	65957	46019	60296	68655	64100	67399	68900	61299	1	10983	72593	77851	79831	93140	70312	65133	74838	81856	57414	64011	75282	75035	75498	75271	30256	24304	52466	60867	100920	92556	20528	31267	40076	42252	53390	46126	51772	50132	29904	28271	47565	35718	33364	47371	22642	20294	31264	30357	26371	21638	21165	21181	42144	52689	35392	35622	45178	50615	31915	24541	39941	52400	44793	44553	37110	41373	46759	46494	42564	31368	15701	13311	15834	29691	75238	69182	33873	25197	21324	19428	11604	24532	19945	21989	22784	24653	37189	30866	36852	43501	44812	33946	1	1	25224	22937	41296	52352	22800	21509	56725	59304	66655	66229	22429	40083	51962	47894	66406	69272	21031	14302	69912	63962	22452	22347	59051	59569	1	1	62523	52393	46008	47197	25294	17028
104.0324@0.9370002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36862	36484	33346	33719	37522	35596	40899	44113	46193	41968	40873	38932	38996	34112	43004	58773	57634	59520	56819	58193	33184	35023	24069	26679	35562	46460	42705	36193	40764	39325	38815	32698	39204	38619	37670	36157	42901	43026	56069	50553	51874	49254	45189	46030	42827	52049	50623	58527	66665	67391	36544	34530	51656	61223	135498	70504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Embelin nullnullnull 13.378684	241481	246211	123644	123004	156180	83533	104324	94257	176363	138322	129224	95185	426140	161312	346718	366686	357208	1	325171	149792	840314	225141	191866	135882	215039	101333	102753	95204	86337	61361	83022	50292	55350	70091	47702	54160	39365	57698	320703	283418	70202	52996	52423	76312	83047	100221	321550	140387	95205	72182	49826	44512	267410	151857	47233	56996	87462	70154	27099	20889	17686	18369	43117	19801	30972	30294	21738	20283	23661	19464	49814	38290	32779	34053	29556	23226	22558	29550	58793	56945	192366	788725	167229	53711	38321	41537	21069	21506	25224	28365	40529	36147	18516	22323	66229	28199	65738	34689	43166	27928	100349	54487	40457	35237	66021	39590	26345	37926	68351	38956	20481	27785	696332	35288	34381	42444	30585	31460	47231	37543	30498	30713	28804	25055	38968	32687	32062	35175	35254	39851	33685	34861	38012	47287	40742	31277	39558	29796	30283	37768	45113	48581	49375	38658	24049	29792	20983	30241	42799	24046	19882	38775	30507	34294	81212	58081	24773	29845	56564	51397	50329	41855	37207	23930	105717	117431	172768	132544	96059	100098	54135	62598	92725	59099	354966	333792	108851	87628	65252	59927	124499	85823	72990	76913	69886	43466	76445	44716	69341	52874	49453	55408	63918	46950	59966	61237	73727	49788	72382	57579	227639	71494	59411	58704	87796	72233	162969	294887	119496	76983
567.8886@0.83997977	52758	50949	61695	57700	46647	46598	53157	54379	56383	54329	47637	50963	53316	50725	55785	53283	54056	55077	48546	55544	46952	51000	60053	69220	58840	61351	60058	53175	60300	63026	47011	40550	39855	45566	47081	39968	47097	42018	47124	43332	47115	44549	42207	44878	41968	38837	41175	39710	39266	44416	34377	37747	49377	47248	45502	50046	44228	43861	46253	43403	34958	33546	47598	41446	33025	32028	34283	36181	39274	34750	47235	39659	55790	50748	46998	50928	38051	19000	18367	19294	34444	36612	34074	43399	34884	37051	44796	44094	48215	54253	55771	56300	51799	70212	67116	69988	70091	71457	52923	56794	75604	75331	59684	62839	54750	56906	53275	42046	57838	60793	57122	52910	86958	61275	13321	12150	15814	13145	15690	13865	12671	17144	12844	11048	16203	12753	14352	14370	13575	12920	12954	14931	14722	15062	14690	15663	16006	14461	13122	14938	13225	13378	13145	9910	12203	17427	15554	13820	14026	12912	15356	15707	14128	13761	14500	16433	12522	13142	18237	14636	19125	10519	12048	13463	15387	17423	17070	14354	16508	13558	15647	15593	18585	17980	15692	15667	18829	21265	15929	17837	17217	15822	15705	13016	22179	20118	26526	26464	17370	15346	22260	22413	22258	26580	16914	17810	21256	24242	16373	12245	21370	24228	15410	18104	19299	20765	24010	27240	20720	21389
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18850	12653	1	1	1	1	1	1	13423	9061	1	1	1	1	1	1	1	1	94361	41433	14941	9791	1	1	12796	12243	15342	18640	18604	16238	1	1	19750	12965	21048	15059	1	1	23975	19234	1	1	13463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17757	16758	16284	14171	1	1	1	1	10785	8308	52428	34660	1	1	10722	9741	24920	18815	12160	9783	16816	16694	1	1	10913	9862	17408	16511	11334	7458	11945	9961	12512	9353	14501	12798	56551	14752	1	1	26050	19630	51260	71675	15508	15722
863.7722@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47011	34506	35390	37491	48230	43794	36341	31390	38504	35300	26077	27464	46929	46857	40792	41100	31658	37646	33616	24135	19224	21284	27470	28026	32639	38025	28158	24480	45198	43329	54040	55141	53236	57461	66380	68759	71761	63594	66327	67194	40638	40570	67959	73082	54654	54134	52093	49926	24965	24498	42133	38308	34182	37802	65612	54599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glycine	13771	14787	17943	17778	11203	13166	18039	18513	11003	14058	9384	12182	9787	8153	17554	16517	18878	16519	11554	10281	12170	13143	21731	22091	16396	19208	17765	12804	22833	21454	1	1	8836	10520	1	1	1	1	9078	11932	1	1	1	1	8592	1	18445	12961	1	1	1	1	10335	8860	1	1	1	1	9638	10105	14305	13434	21240	17789	7659	10623	13128	11264	8814	11012	26415	26095	13169	11508	15823	17519	8716	9845	11424	15215	29330	29740	17230	20609	10746	12381	38535	37242	26877	33956	33637	31383	18780	18342	31666	30739	26831	28739	19084	19755	28490	25088	16054	16711	24528	24047	10619	11599	22571	21740	16360	16565	31298	27994	1	1	1	1	1	1	7049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6644	1	1	1	7359	7167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8926	1	10389	9040	10916	10528	1	8608	26558	27434	12917	12126	13839	17488	8884	7807	16672	14017	1	1	24516	22747	32882	34302	10339	11857	27731	28750	31492	32201	11789	8672	27496	29028	10699	9431	21904	18928	8905	8424	21906	20306	27617	24266	26811	27559
773.8089@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44575	42187	42065	44306	79033	79046	35485	35800	40123	42387	27571	27688	65886	70713	48548	51526	39944	42106	40704	26752	21940	27397	44176	45356	54638	62407	30966	29189	74919	77097	100911	104210	96393	104318	109964	110129	124869	124597	113913	109357	50565	45378	105089	102879	62136	62582	65465	60591	28342	26445	68035	58943	47045	49538	94137	70784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.1794@0.9809998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23335	19927	27602	24815	52820	48641	19276	16591	20083	21482	18786	16606	62798	66804	8162	9494	17948	16577	21864	20314	32318	32961	63451	59889	55633	57838	22814	21769	63699	62536	58887	56187	60206	64743	14226	16968	69139	68059	61683	59619	22512	21813	54509	52870	36881	37827	37985	38997	12254	13598	31257	33461	28140	30148	57805	43170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
508.913@0.8859999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10191	10608	9088	11398	51755	45354	1	8517	1	1	1	1	74498	71717	1	1	1	1	1	1	9351	12376	52828	52709	37237	35482	1	1	90875	92361	63963	69142	64280	61383	12568	14411	68512	66807	49492	47910	1	1	35162	34592	13389	11420	10757	10757	1	1	9644	10013	11225	11572	14389	16730	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
933.2096@10.762736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7235	10111	9529	22157	15599	1	1	7543	7411	6520	1	15516	10944	1	1	7021	7782	7690	1	15104	14955	89386	50588	24183	18227	12263	11763	11675	11607	21297	21045	27311	22018	1	1	29335	15228	26932	19368	13481	11273	31540	24278	11851	12039	35479	12914	1	1	18122	12368	13978	12356	15399	13890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9809	8339	1	1	1	1	1	1	1	1	18871	19552	17913	13098	1	1	1	1	15345	11474	43526	34218	1	1	12677	11541	24593	18729	11820	10318	19627	16757	7053	1	14537	12995	13729	13422	10909	7358	12641	10293	19095	11793	14777	17564	50067	13422	1	1	26107	16293	49288	63113	18461	14616
398.8526@0.87501764	41278	42682	38452	39647	26863	28714	36724	38029	35460	37708	26076	30006	43519	39224	29271	30368	45607	34735	41596	38733	29288	26379	37818	40340	30859	33462	36116	28669	45371	36119	9330	8132	9939	13841	12689	1	13632	8932	12999	9130	12585	16812	7735	1	9007	10795	9511	1	1	1	1	1	11616	12983	1	14730	11737	10350	55719	62870	56568	52062	71584	74809	51240	59061	54377	51200	44048	42650	73081	82149	31792	33184	46682	44098	51858	55320	57590	63380	70255	75188	71176	78146	37667	40287	66374	70001	74400	75154	80462	73113	36799	34659	76901	83915	75393	71851	46240	48465	70599	79518	62418	66314	65833	62921	42929	43941	55176	62709	54916	55914	77742	70315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H21 N7 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130208	94645	93496	82418	85382	95383	98048	123821	94364	86639	112370	84236	107686	459462	47514	53671	54866	50748	44223	45545	39251	39257	1	39883	27382	36568	33642	36410	36987	43746	42688	42639	46137	40849	46538	52793	42778	50392	139987	33282	43395	43166	105869	44529	41338	45461	65750	47117	44734	50366	44203	43079	38155	42531	1	37663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.1340017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36858	62332	81680	133562	41638	1	90992	86959	1	1	47955	58527	74519	77892	171621	102662	77202	60169	149856	115214	154321	174928	97311	274412	376635	265554	185905	118301	109243	117703	167094	171745	135893	84858	78294	87788	172913	168282	242482	261801	175142	351976	357918	220869	110528	128017	135259	145257	100194	63653	243187	238566	119776	205219	227421	153789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-D-Glucose	1269845	1324299	1106617	1056210	880321	925141	1325031	1309104	831143	859892	734396	821699	1203006	1252097	1871271	1845333	889787	845662	932140	932866	940297	944734	1258239	1245641	882795	887267	1115533	1236291	1123134	1121732	4283204	4234501	6046319	5897135	4543065	4482505	3643006	3650562	7774297	7661497	4391026	4357870	5838963	5919659	6900572	6954621	9001724	8473069	2695159	2622506	3051862	3187698	8390852	8130297	2023008	1969940	5201384	5284352	795117	791758	70133	64965	179397	178328	819588	826359	776524	46413	44544	705612	142661	149098	947624	874003	742406	740723	893911	755991	801769	830968	1558465	192925	139145	149216	45155	42486	271178	286564	218646	240212	206007	203251	441833	63230	215085	219961	175373	181736	79282	1108731	202920	215164	76739	67335	1336811	100925	33186	37997	1330118	149453	104521	92684	119170	119029	53849	55693	63046	72771	77960	83607	31746	33300	39433	30422	11727	23031	16258	107652	17131	37331	32911	36488	26569	14151	26841	56390	14003	15786	50427	44835	26563	22405	23736	20366	50579	14014	15928	9507	100450	99002	50955	47857	61869	21815	35284	42957	52283	61968	19062	74621	7861	12182	82780	88563	111529	115420	131763	142294	143836	152241	76347	72997	322570	336493	162765	152127	56842	60523	111950	106060	261582	244083	94623	22056	66392	74780	313108	296022	150697	165249	89842	88669	300140	305383	111085	100104	271467	293273	129732	106478	243920	67770	111305	41756	59295	37484	101866	99714	291026	258906
3Z,5E-tridecadienoic acid	37778	39095	22881	23445	33141	27394	32837	32379	26626	23852	22906	23152	27439	24997	20468	19581	27814	23992	21961	19105	34243	36104	18844	23117	18888	18169	18986	20788	23646	26078	30088	32496	42272	34988	29714	28702	33329	32970	45907	46418	39245	39819	32630	33552	30404	30675	28769	29732	17686	26680	9679	7394	41324	39257	32319	32570	42405	42839	1	1	14270	14722	7214	1	8767	8806	10709	13259	1	1	1	1	1	1	14457	11136	11895	12772	12233	13609	1	1	16772	18238	12234	13818	37693	37668	21677	22013	10020	7995	8768	1	46384	41472	18786	18563	29272	26000	12304	12534	11308	10911	10967	7684	12922	9530	22198	29496	10765	10218	66837	39449	11499	9304	13335	12779	11360	10370	16856	16547	10523	10584	10655	10857	1	9758	8587	1	12344	9729	9290	9541	15207	15417	39907	37863	16473	15421	40166	41249	15775	19108	34128	34894	53737	52463	54424	50716	27674	24635	38968	34364	10023	9376	8970	8100	15195	12958	23239	25127	17697	16693	1	1	1	1	1	1	1	1	1	1	18854	20993	15307	15375	18657	16569	17261	17295	22211	21666	25696	24323	30101	28700	25281	21050	25061	24430	24447	24848	24639	25432	21506	22574	18776	17830	24176	27227	24187	25465	18372	19033	18624	18500	19997	20662
228.9999@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10380	9168	16069	8831	47127	45420	1	1	1	12205	15419	20666	96897	99132	1	1	1	1	1	1	10171	9100	73063	70683	52280	53232	15296	16921	87420	79716	58277	61556	82476	77069	14298	17854	68626	70127	62369	61924	1	1	38846	37083	9990	9232	12996	11900	1	10393	11283	14376	8304	9244	13651	13753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-(+)-Abscisic acid nullnullnull 8.065403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12004	1	1	1	1	15766	1	21073	25391	1	1	13026	15367	39098	43808	67675	41213	42788	44175	1	1	21344	12165	27409	26665	1	1	1	1	40369	30411	56587	42079	32365	36438	75909	88071	30595	36819	27186	31002	1	1	56031	72016	21576	28615	62530	24682	1	1	1	1	38109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40637	28961	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21983	16580	1	1	1	1	1	1	1	1	29416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H4 N O S	15827	16533	18134	20679	20048	18859	18567	16149	20934	22239	17266	21622	19801	21864	14569	12011	25348	24686	23304	19136	16531	18085	15532	16662	20242	22089	17043	18213	15441	15819	24951	23768	26772	27894	23966	25510	22026	25326	23542	21979	23570	24138	16547	19410	13465	15364	18680	18526	19868	19820	7506	10738	21272	19169	25047	24872	25157	28148	20472	21310	19539	18037	22954	21353	22347	24101	22783	23877	24820	23512	20962	20275	18626	17740	26136	25685	29751	29945	19715	18846	14853	12907	19233	18570	20610	18215	16423	19316	16942	17233	20697	19876	1	13336	16824	20411	21939	20451	21460	20740	19135	19475	20085	19106	16669	20063	26150	25880	14864	16067	23502	24196	23808	22218	18827	17848	19822	19096	17483	19657	19234	19000	17155	18170	8722	18799	16711	15715	13466	13269	19892	20200	12570	15098	16089	15693	19146	20690	16345	17500	21067	21346	18638	15082	20652	22356	16829	16305	22231	24004	21752	24088	20209	18796	13950	12719	16286	17875	22872	21618	15657	16232	18559	15850	11775	10752	13054	12452	11147	11448	15874	17602	11493	13960	16482	15768	12837	11627	13575	11509	14010	12757	10775	11243	13883	13050	14715	14837	12407	13974	12444	11593	17845	16033	11825	11737	14344	12418	10382	12004	16628	15239	11124	12532	12591	11802	9642	10412	10928	11270
905.7801@0.8405321	84512	91595	82506	78518	96165	85518	79082	81697	87678	89877	89967	96617	91625	98495	88085	84231	85558	79150	88933	84515	94599	91677	67830	70098	86428	76261	81453	89979	72427	81187	60887	64289	56776	62950	56212	59783	57307	50727	61046	63383	56751	60567	51881	53643	60028	59934	57793	58490	44811	46748	44710	50085	69560	70894	52450	43862	64085	71361	64992	65888	63223	62897	43828	33406	72685	66810	64367	69117	58545	63360	34474	35177	73326	72958	84651	78905	64456	33395	23902	26500	23096	21758	32855	38861	52578	52505	34708	41101	42502	44442	41692	44459	53351	56663	50983	43909	51696	51322	83777	89439	54947	58125	77716	76448	74362	73520	70326	73627	76149	74552	71487	77343	87784	65272	30293	33233	31473	29409	30541	30859	31191	30248	23977	25555	33634	33822	33097	32454	36259	35176	31126	30704	33534	34090	33572	37456	30894	37449	32258	35401	37701	35092	32318	35481	26689	27732	30235	33665	24269	25103	33752	30542	26590	24673	30021	28796	21493	22184	34794	34011	35348	33013	23547	25750	25048	25072	24623	25113	25262	26437	17818	20716	34206	32791	22702	25549	30006	30443	28127	27339	29193	27332	25911	21029	31647	29466	33276	34296	24905	24979	28911	29219	35164	34651	27903	24886	30885	30407	27315	27716	30913	28123	24512	26593	28161	31304	28377	27199	31819	30971
3-Methylsuberic acid nullnullnull 13.395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32718	23025	14401	12789	27054	38686	16988	22877	19427	29184	23418	16451	32428	30298	33645	10335	33685	22321	14127	1	19088	15515	1	1	370765	24336	28030	8105	11253	49369	16629	15268	17787	18000	15391	31775	27127	9354	84266	1	11404	7899	19006	18823	1	9077	89530	1	86342	1	12711	34981	14140	12848	76430	25026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.8106@0.851458	56677	55321	58705	58979	43248	40351	55452	61310	54916	52887	39530	41658	55946	54657	48182	42266	53899	50461	54366	51169	41761	43315	61645	61905	47111	47703	47469	57998	59609	62139	42493	40991	50708	45584	46574	48791	47831	47593	40162	44460	45497	48135	43137	45198	42102	43633	40792	40487	46356	44906	25735	27590	42693	41246	53270	49512	45605	43423	60851	58774	57953	60455	97766	94896	62427	58288	57230	57570	47902	51286	100389	99387	39966	34332	45588	49667	57763	55196	51353	57667	69984	82136	81667	87636	43352	45418	94173	90038	94844	96968	95195	94273	61259	55612	110721	102574	88883	96696	48755	49941	87224	85971	63974	72017	66224	65082	40201	46864	61306	61635	59956	56368	61320	68824	34696	30801	39261	33939	30055	30932	36477	36810	41617	34071	36269	34720	37213	35225	37324	33504	41693	36144	34604	37211	35211	36507	41271	40741	35454	39415	38839	38506	39394	36945	42534	39239	38241	37282	43347	37790	36348	40483	38324	39733	30547	27293	36883	40955	32258	28209	38541	38187	40837	40254	19382	18909	22606	24385	19303	19262	35161	35794	21331	23892	23153	24979	33249	31300	23863	25592	22326	23413	24155	24499	21950	25302	25996	30659	26845	22848	25036	24291	25716	27978	27007	23532	22112	26240	24689	23230	24431	23906	37550	37340	24932	21912	24633	26034	23917	25513
Bitalosidin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20672	23650	22654	21659	52365	55474	18488	18110	16684	20344	17512	17041	90001	96192	13913	13328	19189	18142	22141	26365	14087	27151	75572	67878	51636	54759	21719	19806	100200	99871	63454	65608	73309	76330	14555	12254	77379	75400	61348	63027	20839	25336	51201	51386	8823	23471	27213	26744	24862	30798	23040	22076	27265	23294	39874	35132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9784@3.685174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20804	1	96017	52601	1	1	1	1	1	31607	71032	1	109886	1	1	1	1	1	1	18058	59499	1	1	1	1	1	1	1	111393	1	1	1	1	14031	1	1	1	1	122929	1	29595	26612	1	1	1	1	1	1	15026	13482	1	1	92185	1	1	1	1	1	94391	68200	1	1	1	1	1358112	1	1	1	1	1	1	69347	1	1	1	1	1	1	1	1	1	1	1	1	19193	1	1	1	1	38402	40951	1	1	1	24018	1	1	1	40772	23630	1	1	1	1	1	1	20888	1	1	48028	63189	1	40777	1	33761	131771	1	1	1	1	17963	1	1	1	1	1	1	91743	53103	215714	1	32163	163741	1	1	132235	13544	1	167956	1	1	1	1	1	1	65702	47213	1	41024	30132	149567	1
179.985@1.0419999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35137	1	122927	22933	122974	6394	9565	1	1	1	1	161079	1	1	356190	360696	1	1	247104	104303	247968	1	300208	187381	257537	1	49938	7701	6271	110148	216813	199250	35096	22756	15638	226447	247247	182142	33510	32386	214205	8238	1	270131	391494	296335	1	1	1	1	1	1	74282	37865	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.8023@0.87307197	56639	55051	60210	52709	78001	78870	49102	47121	59505	54570	80853	76958	74941	68828	59731	59849	56089	52764	59338	62980	80527	79371	40579	47939	66561	71783	68045	65741	49518	56447	136641	133401	130407	126682	143466	138173	145454	140954	139551	136207	130771	129099	142120	146517	127173	136900	133439	135566	148165	144826	92679	92152	134122	136128	165568	168016	128003	127365	41248	44532	49911	55062	18315	16094	68808	68356	63622	70233	82079	79649	5948	6433	44692	46249	75734	81148	61881	54610	42975	42590	12056	10182	17382	19153	76784	76225	1	1	6619	6297	7673	7981	29301	26073	8171	8233	13351	14141	72866	76353	18000	18576	46297	46598	48718	51205	95480	96764	51155	51059	63828	55965	54047	53689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Thien-2-ylacetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29318	33303	33283	30798	63390	62875	24663	25624	22493	23909	29470	29481	69211	82365	21492	9170	21573	21703	84871	86097	119513	117247	60575	66498	164496	66526	96078	97929	101784	98899	70186	75895	71855	64905	15016	22163	78663	81103	61389	80384	110284	31274	203303	58938	38848	38947	50477	52287	21693	16765	42391	40031	24993	23324	57433	53086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H4 N6 O4 nullnullnull 0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	335746	332684	54039	57345	57421	57581	43238	42668	33767	34350	195992	193982	48674	54647	176963	168627	87337	89909	126266	72292	150569	148601	383467	367112	226616	205599	194980	198089	516938	508511	391799	408927	70928	72311	153272	176483	128015	116945	149914	155317	34928	31846	121118	131297	169357	178140	150473	140114	130281	135032	232082	238427	251316	253835	275061	205769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H11 Cl3 O15 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39578	29607	48415	44961	53489	51728	29051	34254	34316	41226	31125	21277	39990	40429	46970	46381	33421	32942	39302	21937	22273	24663	32246	33862	37378	42876	31397	34912	39358	33462	47008	44184	44141	45189	48504	57327	55523	55238	57982	61177	46879	39349	64692	66445	55855	53550	54174	56577	33037	30219	56581	52819	53818	46635	72998	59454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.8472@0.92900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20386	22019	33796	35558	16016	15368	32244	34641	27793	28940	48258	41663	8923	1	89666	84563	55001	52284	41565	39082	56156	58085	59803	63081	37488	33661	71860	70650	13361	13213	22915	23523	21054	20631	56172	113717	33843	32923	30664	33359	66599	63820	43820	43083	62785	61274	46717	53138	58315	63190	74669	71272	54305	48917	37559	38558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
251.8505@0.8650169	62869	63207	65972	63826	57667	50067	70195	64694	64800	62495	56850	53444	65100	62728	57811	64117	70406	65982	60556	60678	51175	53699	67777	61933	54140	59147	64295	64004	67706	75980	26354	23524	26290	24345	24206	22865	20685	24666	26639	26400	21891	23229	22569	21267	22871	22171	26492	27109	20577	19262	12535	13554	26921	26580	20462	15648	24833	25810	55380	54495	50279	56262	56725	58009	49197	47917	51362	52674	49773	45316	65007	66273	38814	31428	43565	45658	42478	56531	64869	64107	63259	53563	54019	55742	50457	45603	48889	51853	53978	57213	55454	59424	41399	39819	59258	56768	60782	54831	46120	49522	51839	51310	48645	47377	49529	47032	36073	36399	48912	51910	47059	44284	54999	51909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.056005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	97484	92408	113736	88589	134470	142755	148349	85958	100833	103875	74424	105297	90523	192727	132885	49026	107296	124418	35714	47561	80591	32573	1	1	52132	13545	53588	156081	69884	39697	43168	41444	69296	29305	124874	95413	28865	102332	83870	76412	121437	143726	47177	68020	51328	88634	1	41178	112152	107308	37998	59257	45362	238403	1	40285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.1474@8.969905	42848	43554	26693	22642	16638	18048	25969	20646	24830	23058	23912	22189	46461	39649	50906	48421	36568	49197	28833	32679	26953	23453	24451	31933	18032	17712	17999	15372	18406	14266	15755	1	19022	20473	1	1	17669	1	14371	21475	24294	24911	14999	14291	1	1	19935	21638	1	1	1	1	25728	22610	1	1	20322	22554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8309	7233	1	1	1	1	14123	13652	35182	25400	23577	20121	10272	9651	1	1	8798	8793	1	1	10059	8169	13216	12206	23092	19964	13532	13089	21430	16532	9982	9383	18477	13737	1	1	22171	22092	10476	10056	17707	14252	1	1	7900	8682	10504	10041	8681	1	1	1	1	1	1	1	1	1	1	1	1	1	9476	1	1	10290	1	1	1	1	1	1	1	1	1	1	1	1	8873	8517	1	1	21091	20895	1	1	7964	7823	1	1	1	1	1	1	1	1	1	1	1	1	1	8388	1	1	8811	9299	1	1	1	1	1	1	7669	1	12962	12466	1	1	1	1	1	1	1	1	7768	1	1	1	13457	1	1	1	1	1	1	1	1	1
C44 H Cl O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	141475	139734	158475	148813	98362	98464	166836	155344	162347	164199	142626	144245	57146	55312	309019	296116	270971	264838	188440	69475	53202	58499	45457	51906	69608	85228	124052	139765	44710	48883	72027	76784	73988	76485	189433	199885	96108	96259	132056	132602	286204	295200	170975	176627	267218	269722	262314	249094	248822	249335	259219	255977	269589	260812	362970	282845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.976@0.89100015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10593	10726	11150	10996	52311	52672	1	1	1	1	1	1	60990	62903	1	1	1	1	7989	1	11755	9644	46032	45713	35593	38697	1	1	77105	75992	61380	64013	52882	53246	9484	12989	68621	69726	49107	48051	8254	1	38130	37252	16476	14076	10243	15560	1	1	12644	13292	11733	9626	15452	18402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.0689@0.89100015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6604	6637	1	30119	29085	1	6184	1	1	1	1	40305	40669	1	1	1	1	1	1	1	1	21980	28021	14681	18068	1	1	78932	77858	49600	47126	33039	31958	1	1	45496	44452	25453	25550	1	1	20228	19278	7019	1	6743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C26 H11 N5 O20	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14004	15923	17379	16818	44440	41961	10268	9894	9822	11333	1	1	33149	33061	10958	8849	1	1	10581	1	9710	10287	30683	31611	28693	31506	1	1	27976	27998	32824	32835	28350	30935	13722	19002	38643	38104	40262	38759	11993	12300	40182	37231	23879	20446	18020	18523	8597	1	18662	19313	15455	16269	20834	22933	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Colnelenic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10534	13136	1	1	18242	18141	1	1	1	1	10599	1	35460	35987	10217	1	41387	51318	44542	47151	83322	26474	27541	23932	1	9181	1	1	16619	21503	1	1	21020	21310	18833	13259	24261	20875	46619	47374	62018	57268	20610	20994	54687	33139	1	1	56764	59948	32542	38435	53869	26846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
284.0997@1.0650003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15484	10555	1	1	1	1	1	1	83074	81644	1	1	1	1	1	1	1	1	27401	21832	12193	12927	1	1	17939	18100	20707	21471	50384	53789	1	1	47074	42831	39410	37215	1	1	11086	13219	1	1	9741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H28 N3 O21	10423	8719	10438	9252	9709	9810	8718	9714	8873	9716	10653	8427	9297	9384	9852	10938	7640	9344	9052	9946	9834	10225	9877	9952	11087	10788	11891	11097	10921	10822	12455	12421	10229	12381	12895	12142	11647	11366	12553	11841	11068	10737	9921	10077	13643	12164	11673	10604	12671	13203	12964	10400	12242	12701	10588	11752	11488	9960	1	9021	9514	8312	1	8855	7706	8872	8548	8252	7695	7879	8196	8464	12079	12574	13936	11838	12144	12959	12634	13718	9888	10857	12326	12085	10863	12207	11596	12246	11056	10218	11470	11829	7783	10968	12051	12154	12247	11570	10347	11688	13102	9775	11107	12218	12558	12703	13218	11151	9070	11948	12534	10878	76026	13896	11370	12724	11794	13147	11325	12090	11528	11027	13251	13197	11794	11176	12616	10868	12092	11610	12051	12810	12039	13496	11565	12168	11866	14752	12709	12259	13869	12604	13570	13493	11727	12479	12602	12238	13905	13999	12145	11961	11919	11976	10941	12486	11564	12100	12553	13176	11543	10855	13111	12473	12896	12862	11929	14366	12547	14013	14810	13040	13474	13785	14253	13361	14426	13721	14007	13093	12196	12518	14902	11508	13671	12285	11660	12368	11855	11779	13506	14080	12573	12863	13816	12220	11465	12136	12783	11417	11870	12565	13345	11738	13927	14247	12912	13892	12161	12958
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409.872@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41090	40754	37899	33756	62369	58741	36798	38166	41169	42608	36715	27924	71329	72013	28601	26919	33208	34480	35158	35891	37993	36012	52719	58538	47994	46714	32188	29449	73125	69853	62921	62445	65072	70909	34448	40821	69333	79842	66282	57286	38934	36622	60162	59814	39647	40790	42901	36381	26575	33203	42750	40843	42021	36149	56536	43967	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.8536@0.8613801	41825	43012	47586	43016	33517	41119	45728	42640	42041	45009	40174	31410	47416	45280	38758	43385	45638	43532	42149	48421	35884	34732	32082	37896	31847	33560	40043	43582	41579	38776	29786	24334	41550	22266	31244	36759	27903	34906	27232	35853	30804	36179	39534	31523	35080	32318	35859	31972	33418	40017	17512	19887	25429	23827	41942	35581	35655	24090	48813	57351	44299	46770	40947	48940	62915	50159	52061	54759	47725	42061	50404	53231	28564	29980	47871	51348	52881	60117	54573	58423	38346	41102	43279	51380	55475	50004	58573	60719	41356	41434	45870	43134	26654	26260	42148	43224	44266	36916	47948	49050	40458	38124	45276	48000	39096	44264	50554	53956	43517	43625	48798	48564	55154	50004	77732	74145	93395	89041	86561	77185	100119	104977	87105	77489	83166	84940	92635	90569	70182	70744	95582	99162	75483	77827	76867	84994	103991	102096	81752	84855	101123	105144	77936	74847	105850	121207	83417	91263	109832	105237	96421	110504	90738	93590	49460	55072	87478	91416	86312	80698	79968	75226	91423	88265	33330	36850	40646	48635	37806	39988	57858	69681	42683	42090	41107	47510	52745	51532	42827	44210	56334	50189	48517	58018	43783	49593	59352	58423	56370	50296	36372	39797	83090	76613	48254	49901	49448	51692	56379	51030	47049	49802	63143	63355	52006	45681	37664	33276	44825	36651
541.89@0.8441064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47389	40191	44019	43072	44507	42292	44912	48978	49233	43803	46889	40158	40533	43599	49924	45312	55795	58816	45812	28312	27802	28131	36067	34625	35186	36900	43504	39109	39750	35474	37156	32125	38327	41598	26965	33882	41692	43757	46865	52967	64388	60847	52389	46575	58283	61953	52896	59198	58696	61703	58550	57121	61441	60290	80688	61548	30225	31001	30148	31481	27514	24183	34790	28120	30101	35390	34488	29061	33582	31636	35495	34536	35761	34798	33119	27794	33907	36647	34692	29837	34311	32765	34757	34660	30349	35414	37122	35498	32919	35013	31475	32999	33679	36850	28801	35499	27390	27455	32275	37243	28763	30428	31725	34318	32814	30194	26846	24930	26554	22718	23968	25728	26160	27559	28866	31674	24892	23793	34680	35250	24832	27101	27643	25224	24284	26689	33190	30213	30232	33192	25023	29264	27763	28284	33208	34440	24173	25055	30291	31880	25185	30224	32599	31052	29508	35255	30756	29563	33112	33903	32277	31255
722.9669@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23753	22371	1	1	1	1	1	1	42908	41053	1	1	1	1	1	1	1	1	23687	26501	14076	14016	1	1	75890	74692	43850	47461	36763	39806	1	1	45105	41964	20513	22824	1	1	14613	14757	1	1	1	1	1	6492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 14.03477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27468	1	1	32243	14847	6464	7113	219939	350012	1	51174	6381	13110	173359	130998	76009	126105	60791	89303	26361	94246	106375	1	1	1	69007	1	21177	1	30053	1	32235	30975	12343	18286	19117	28827	64062	59505	55140	48762	52563	36283	80281	41267	92356	77477	58692	28924	21193	39493	109282	1	46344	18626	96701	10371	15557	18614	930608	11629	12170	13649	9773	18855	1	12237	16750	26732	10469	14004	10139	11584	9509	29580	23357	17018	6653	58957	52184	14034	120163	13535	1	29206	20810	1	7237	126847	39340	40991	15168	572716	1	7127	22448	18247	19509	153290	1	8245	14443	9354	19690	1	1	1	1	1	1	1	1	269296	1	87906	1	1	1	21112	1	1	1	1	1	230554	1	130128	23173	27458	1	1	1	165806	1	1	1	1	1	1	1	1	1	1	1	1	1	39078	1	1	1	1	172341
5-(hydroxymethyl)- 2-Furancarboxylic acid nullnullnull 0.98300064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42206	38888	41683	50758	65684	67043	69629	81588	41501	33091	42948	37055	51859	61376	27884	49438	36726	49827	66362	67855	101517	97008	101452	91722	116772	120452	72296	79686	328565	329662	104397	99130	58046	60389	21899	36432	187239	189403	118603	117468	68253	65567	162643	162884	59439	53075	65024	60412	28304	33270	59148	78341	42069	47933	103126	81354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
414.8099@0.8771919	53880	51902	54842	49943	51840	40358	49720	52190	47645	58080	47491	45556	59503	55861	44417	40605	53895	49610	46040	45541	41752	41785	42354	42570	48314	51559	51683	50550	47786	55919	45322	50385	55563	51371	48309	51769	46910	43429	46324	46897	63534	57568	42218	41129	41339	39802	43296	47696	31450	32642	21743	21354	47385	44586	25063	25501	74472	71367	54885	56239	53010	61249	44468	49669	73921	69809	70353	67740	54795	56346	53877	48273	41320	40007	66875	68510	66389	66468	56217	58664	37723	41700	44170	45938	53194	55754	40633	43351	41424	38156	48727	39282	31397	28108	43155	40494	45195	40606	64633	66270	42448	46210	49913	56507	64041	58040	63089	72495	49998	52101	63263	65788	67399	65661	47594	49341	49742	51217	44525	43167	56435	56383	39860	43942	58621	57552	54966	57879	57622	56959	52687	54634	56990	55410	55944	52859	60039	53624	56711	51532	59895	59890	54547	51132	55891	55978	49343	49103	49553	56812	55513	55037	49818	51893	35984	37365	38594	44277	40432	41126	54257	56981	43902	46273	15837	16752	16943	17167	17492	18032	21857	21226	23096	24098	17775	19330	34515	31255	18224	16855	22513	22271	14852	15671	29280	26472	29913	28348	19926	20516	23885	25644	30167	30119	16654	19393	27621	27632	16458	17889	28886	27041	28034	27971	25073	26643	25745	27675	25905	26266
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.830374	38042	25201	36747	60683	29524	34733	66386	15939	34384	99207	17634	53989	19120	36182	52029	34914	1	44548	72693	51771	27340	15882	53459	51904	10547	44595	37376	39591	49011	39330	1	1	1	1	1	1	20213	1	1	1	1	43251	1	12535	1	18313	1	33172	1	1	28930	11725	33013	21587	1	1	1	1	1	1	1	22243	1	1	27716	1	1	1	1	1	1	29570	46117	35166	32924	36755	9783	44592	50157	63251	34678	79778	12756	66961	30830	25800	53953	16987	39005	51546	1	1	23314	22628	21975	42411	46933	71136	44427	49468	69485	42026	32933	1	19052	15033	38927	25121	64887	42727	14105	47122	1	33730	251231	143367	138310	251401	16568	74278	82057	58374	184357	169506	252789	319975	145048	58626	211959	217610	46851	213657	209076	136438	273993	370715	52646	169053	201268	163627	283044	303318	185785	211330	52664	6527	204898	277568	18286	75870	45971	49562	77767	75421	203464	80965	119734	33290	39447	35311	83215	60956	140466	77370	19273	1	1	1	144048	144506	18709	37141	36533	58229	1	1	40243	15820	1	1	1	1	1	1	17512	19414	9722	319113	1	1	1	36086	57296	162191	21790	1	11061	76495	1	1	1	50811	8993	1	1	1	1	1	111209	1
C9 H19 O10	30819	29814	48420	50154	28045	31096	34169	34855	51352	55040	28348	27963	34444	37624	31233	29493	41261	39538	25504	24576	19751	20248	43886	48221	28870	31153	39649	39578	38800	47011	13840	14195	12392	12452	11195	13239	14883	14467	14142	14090	17170	14500	7387	1	10089	9987	12025	12855	1	1	1	1	18129	20144	1	1	20073	19239	16277	17543	21175	23004	45461	44298	12532	13995	12613	13886	1	1	62708	58644	11182	7851	14140	13406	15202	14190	19414	21764	47462	50405	51836	52359	11037	10722	75950	83854	61701	64708	64851	68107	15407	14116	64768	63852	59747	61036	17196	16303	43178	44681	26524	28525	29579	28760	9006	9466	31610	29330	21119	20909	35948	28189	27815	28208	33432	32917	42554	42127	41094	43123	13353	17634	44262	39362	35798	35577	43884	43441	31387	34651	48769	48969	32603	31246	35772	35868	35113	37121	40223	36249	38375	32667	26719	29857	34912	33951	20887	18069	36578	38987	22545	22445	47614	44608	17891	16710	69310	63615	55452	54976	21177	21662	1	1	7005	6670	1	7266	1	1	15753	13198	7647	7249	18311	20608	1	1	7747	8153	1	1	30991	31047	20127	19520	1	7357	35531	36202	19595	17000	1	1	15737	17828	1	1	35123	38800	8522	7343	24605	27308	52577	52595	23319	24026
574.0922@1.2070004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7185	7749	71947	70048	1	1	1	1	1	1	26500	24431	1	1	1	1	1	1	1	1	31298	26056	17180	16491	1	1	49837	47323	33722	38900	24337	22674	5738	1	39605	42625	21614	19918	1	1	49022	50907	5791	6919	7300	6619	1	1	1	1	1	1	25616	11509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.008@0.8919994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38897	35399	35945	35940	71978	71654	21055	20093	12732	26445	31609	33971	89113	86591	35953	32064	28106	29583	22876	15193	20333	21808	62072	62372	58879	61801	32666	34659	84636	83705	85927	83980	86490	89114	32382	44754	98380	96459	92640	101523	16977	32271	85390	84750	52223	50455	48446	24094	35830	37890	27477	50894	21923	22071	31795	28769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
112.0145@1.2540005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	579736	566345	888835	847946	892295	867415	500938	496562	837318	807733	582298	593141	2415178	2458485	578372	557341	549046	512240	413934	349911	387018	395557	603142	571269	575949	610323	393954	617349	66861	79679	659057	651821	710971	733296	690547	864208	40555	1989382	843510	823048	619122	927410	767569	821496	714544	1026514	1176323	1093803	705534	664632	902616	943599	879480	860213	1333204	1267529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1322@7.0459995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14822	1	1	1	11736	8776	1	1	22403	8561	1	1	1	1	1	1	1	1	1	1	1	1	13596	20988	1	1	9412	20735	1	7241	6506	8505	10917	10757	17157	8614	1	1	16569	8652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.0623@1.0666713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12369	11940	19563	19991	40466	34874	7629	6497	7916	8953	11517	7542	55319	55201	11580	8980	9159	9663	18852	21457	20083	22617	49746	49081	46072	52098	12038	9991	42286	45844	21957	23633	33915	34176	8004	18714	46322	47979	78502	83014	21885	22170	51940	48276	29790	31102	29530	25484	1	1	27895	28045	28280	25486	19669	22655	13542	16118	9324	9289	14507	14613	22419	21340	8704	9676	29019	32468	7980	8026	32589	30637	12352	11982	33927	33035	17857	16048	12645	12680	24197	27917	28275	29708	31305	28993	11031	10243	11473	10314	8348	9655	25222	26173	13400	13888	18884	17613	7918	7883	22596	25283	28723	32729	11525	10399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
270.9868@0.8716977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32201	32829	42073	38435	44516	47692	21456	23213	40189	41502	95373	90652	45805	43716	19935	16528	32715	34565	19246	23683	24568	28359	51191	49815	53836	52994	83094	83331	28305	25736	34351	30569	46234	42283	29660	25917	38393	38217	48305	50271	22634	21422	42173	43450	22208	23601	30037	33299	57955	57319	35926	34336	30590	31882	35770	33901	1	1	1	8755	1	1	11777	11173	1	1	7345	1	8403	9326	1	9463	1	1	1	9323	1	1	8102	1	11078	10567	1	8030	11168	9310	1	1	8137	9060	1	1	1	1	1	1	1	1	1	1	9569	8407	1	9240	1	1	1	1	1	1	1	1	1	1	1	7736	1	1	1	1	1	1	1	1	1	1	1	7380	9031	9757	6120	1	1	7377	1	1	1	1	1	6883	1	1	7986	1	1	1	7373	1	1	7623	1	7012
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17455	17060	1	1	9003	17826	1	1	10854	10014	14622	18220	15744	18919	16633	13002	16819	10560	34668	29318	56422	33720	35312	43734	20377	18514	13607	8366	15204	21530	13858	15598	15234	15922	24254	29689	38082	40390	27985	21837	36771	41227	16680	11973	30412	32906	9910	10817	30968	42570	46149	22405	38035	21042	30148	87161	19378	20562	52121	65601	56430	24173	33576	18280	29107	28018	21237	18546	20656	21845	18505	22177	62568	56544	96168	90168	25438	15490	24262	147438	49698	47257	20418	8416	44812	52074	38519	36273	79081	17995	17296	40090	14976	27548	151505	86915	49148	15825	31436	35967	37888	79261	27887	15593	1	1	1	1	23945	84398	17103	1	14252	67328	1	36960	13039	18757	1	1	1	1	1	1	12305	11704	28833	22539	1	1	9356	13110	7985	1	1	1	8655	15663	1	1	36540	13322	23050	13191	1	11149	1	1	13257	21133
584.8537@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67826	59163	64069	61908	65148	64245	62779	61778	62755	68996	59645	59333	70508	72130	48514	52970	55823	60251	62456	57681	52010	58072	58979	50738	57267	55238	58127	47312	92839	95687	77519	79542	84578	84486	61556	58485	95925	91350	71073	72148	59493	57312	69261	67837	57307	65123	67216	62157	55126	57438	61472	63905	65564	58077	67351	66280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0949@4.533943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17200	23840	1	1	1	1	1	1	1	1	16599	11771	13394	1	1	1	9434	1	29743	23647	33326	46360	36888	38092	25497	14502	17788	20724	22158	17935	17758	11830	15303	11673	26858	32979	40069	39596	16574	18395	31423	32602	21841	19370	23846	19610	1	1	35880	41449	20573	14687	22974	20291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12984	1	10915	14871	15029	1	1	1	1	1	1	1	1	1	1	1	1	1	13241	1	1	1	25483	16337	1	1	37726	12045	1	1	1	1	1	1	1	1	1	1	1	1	8050	8442	1	1	12078	10521	1	1	1	1	1	1	25719	6760	8614	32654	16321	11807	12842	13913	1	1	10649	1	18812	24722	1	1	19076	14349	1	1	1	1	1	1	14766	14954
687.7431@0.8706828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45802	55085	51446	44619	70759	69505	47800	40700	55621	50947	39772	39449	77077	77115	38789	31670	54307	42150	52311	49724	43586	36427	44646	49385	57116	63640	37405	40992	70543	64536	67924	73467	67839	66657	42782	42855	80665	77124	72739	75583	53539	44359	67910	62034	49845	49020	51697	47976	46528	53205	42380	43016	45724	50655	66530	60159	22151	22228	28526	26374	29774	28198	46654	33714	24882	40546	28180	28253	23582	29740	20121	18168	30199	26670	18511	16795	24582	20591	30149	32639	22960	23104	34127	36624	24516	20240	38623	35083	27291	24056	29953	34031	41417	31378	26891	22563	23176	15234	27160	23804	32102	34040	20060	22510	27967	20593	16390	9847	17529	16625	13350	17722	20239	21383	17120	20326	18710	18316	17521	16063	11777	17097	23704	20970	16043	15936	17225	15374	24408	23132	20412	17906	14430	15519	26191	25683	18786	15564	24103	19685	16831	14589	17472	17144	16444	17071	26810	19013	16876	12981	11802	12461
C19 H18 N4 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140572	143544	160928	145000	149651	91933	168180	284633	167577	141442	89720	148264	82162	151649	96347	43229	86576	11539	74292	87087	82330	87969	42992	75139	52869	26561	68876	46582	67500	75020	84492	62209	47415	31711	45811	19065	53402	79711	66976	57517	52352	132965	107248	65499	89287	113236	35023	39546	94608	63433	89118	79489	44168	85442	194545	35015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
523.8137@0.8558273	17857	16656	16886	16195	23763	23045	26998	25341	25564	19884	22986	18395	13395	19546	22896	17487	20389	25553	14083	19937	19199	10723	23271	16886	19470	24635	26022	12838	19079	25319	15461	14130	17353	12176	14305	11930	11108	13656	14237	17121	16321	18225	10969	10593	13953	17026	14254	16285	16360	18681	6362	1	16762	15160	15761	15488	16272	15450	49795	57483	55036	56093	66355	64097	51736	52083	58333	57060	45739	41553	61783	60475	29842	32769	49048	47920	56172	57218	59886	59223	58007	53026	63472	60699	42861	41632	52559	44363	58129	52895	50326	46135	32251	32635	60216	57592	57716	66628	51437	54511	64735	67337	52777	59321	60931	62109	39730	39817	51594	55675	49712	56018	67729	64356	28419	32342	30079	31822	24568	23221	35216	29496	27020	27981	34787	34511	33603	31453	32547	34608	31336	31037	33769	37815	32983	37270	33082	30389	35778	33097	35122	31941	30973	36036	29602	31223	28450	26557	26468	25603	35576	35042	28584	31779	23707	26149	28371	31652	27630	26206	32200	35425	28482	29349	14171	14105	17602	14667	14090	15316	18347	17527	18105	21451	17578	14387	20714	21832	15249	16077	14315	17373	18906	13371	16751	16807	22764	22423	15888	16737	19155	17493	25311	19468	14688	13864	19967	17772	18409	20166	19224	18875	19986	22259	16022	18871	16838	21283	19983	18589
517.8365@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66961	63433	65721	61703	58607	62317	68573	69101	75293	70858	55354	59466	48650	51649	41190	34707	59446	49769	64076	75511	61313	69840	45690	44796	57255	60367	53907	58092	62786	64822	56214	56352	60775	64387	48555	43388	68472	69502	56130	50582	56224	62739	57292	59433	57319	58347	63915	58568	55683	50503	57295	58657	62330	65550	64833	56969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
308.0742@1.3090006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47801	44328	1	1	1	1	1	1	36829	41029	1	1	1	1	1	1	1	1	38919	47111	44514	32214	1	1	110311	117314	74165	63542	54772	42641	1	1	50800	56249	40129	57599	1	1	48335	48384	1	1	1	1	1	1	1	1	1	1	1	1	103587	105507	148488	147129	144566	138758	159882	155666	109414	112825	133226	135205	151672	151359	186227	189298	128918	130029	152447	145332	114846	108417	105258	109422	110502	116362	129006	128675	105565	103048	69696	72295	149324	151870	206499	208077	160982	162089	197937	192995	182261	185511	137235	135655	194951	202018	149232	145249	196348	199943	219231	217170	169620	165001	148275	148238	72708	76990	391316	394955	189706	188776	264995	271575	130974	132275	273701	265900	90348	89723	375557	377538	333390	341441	200799	201867	580781	596671	382157	386748	169653	169875	342631	329845	159060	167871	339605	342380	105236	110280	312309	336260	479721	478478	375709	377071
a,b-dihydroxy-isobutyric acid nullnullnull 1.223573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	454813	168404	1725656	1	1287135	372909	1	4900347	1	1	747778	1	1	1	374760	1868390	80800	1054833	166443	183405	145249	716275	200029	291772	416861	212338	180907	278909	121684	187651	635696	781005	63596	50092	412559	87147	187641	167795	416336	231855	31473	146199	196938	181627	207960	143261	141424	184377	58375	112391	569582	161482	23071	380504	3179425	401428	54296	70124	167688	70516	163726	211104	75749	220180	95953	98090	117214	380019	174335	170685	105936	468863	19063	45181	194485	172138	82384	790351	77981	157587	174386	156286	278537	230789	149230	136667	69821	127446	92608	173566	1784631	301930	76825	201749	314066	257720	276089	148591	74885	310911	315598	611269	175807	134379	39001	244118	153766	208557	151875	92784	57791	316177	66756	148265	156949	133288	114923	307358	76057	204170	171039	70248	75123	137958	85964	204291	182600	105150	200936	172628	557929	73906	212208	153896	232444	80384	90948	86191	205356	142413	323457	140611	308620	81059	183000	239334	202114	83383	146368	194435	214071	215885
421.8723@0.877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18071	15207	20155	23115	51363	54199	8345	10160	10911	13314	1	1	69111	72504	10139	8044	1	10777	15670	14777	14464	21961	53076	54236	41245	40716	1	10745	71916	72459	60500	61469	59824	56237	22630	21675	67535	66332	48194	49072	12652	9814	42909	42307	20541	19999	17181	17989	1	1	17149	15419	19735	15425	20976	23043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.8243@0.872113	77635	79176	68237	70569	76852	75392	76433	78914	84350	79566	83200	85221	77347	86499	54286	45781	83336	96353	75635	68588	70793	67081	61968	54957	89687	93254	64528	67254	63355	63315	118874	103907	139725	151983	134942	125863	130254	139075	91520	87007	115142	122441	90669	98337	61965	62510	74030	81827	108698	109295	52434	55228	88968	85292	149623	158584	146061	147925	87194	86243	61498	62334	91665	81770	68487	62753	69787	74186	62276	59357	110031	110638	46523	39028	74050	69157	72057	66610	58117	70059	72767	72121	71924	78263	59227	57302	91523	89537	73129	87400	83828	73532	27414	35295	74950	69112	71034	69861	69901	70799	72037	71808	61821	75533	65008	75125	64815	64036	50892	54103	70573	65123	71126	76229	69782	62419	94151	81311	92553	99172	98568	88996	98337	94354	82991	79405	83444	71477	56440	54343	88891	98893	55440	60793	56089	57419	80117	85378	69626	67791	97407	91929	68801	63564	116699	100216	80425	72058	111464	108923	87465	97098	77240	97365	46693	39067	80187	76708	87784	76155	62919	60271	66667	68886	40054	46316	60557	58243	53794	46104	83196	79534	49964	45284	66114	72022	61713	55464	64974	60680	68877	64788	60206	59049	52695	46170	52671	53680	64922	71615	36957	50092	76839	78204	60861	57618	66556	54673	63729	62026	48021	54237	63062	58633	51373	51080	39278	34551	48405	42397
C16 H21 N11 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11851	12074	13221	11480	45324	44273	6585	5861	8577	9130	11120	12400	57970	55710	9285	8669	19749	21390	9290	9917	21092	23374	48557	44707	36764	36666	13838	13204	71884	69086	54786	48952	57094	52062	10269	10309	61638	53403	40355	45498	11442	11218	41525	35334	16321	15159	35053	33663	14130	13211	15185	12765	11936	11892	26038	32140	1	1	1	1	8137	8731	16476	19364	1	1	1	1	6158	5783	1	1	1	1	1	1	7218	6102	1	1	15800	14800	1	1	12886	13999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10550	11291	14437	13242	11007	9505	14492	12581	27752	26029	16310	14475	18103	16604	8441	8306	12381	10715	6124	6948	6409	1	17122	15855	9222	10486	1	1	12794	15132	19787	18165	15124	12565	14373	14550	11051	6552	23112	24871	8499	8273	1	7965	13494	13218
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C7 H10 O6 S	80573	77606	96939	109670	72693	73242	112088	109212	90665	85895	60521	61932	72366	73804	84363	73254	98504	77205	75712	72272	64830	70781	114143	114100	74803	82226	88093	86408	120828	125829	11061	11285	10588	9073	1	6646	8126	7771	9630	9369	9622	7938	7882	9315	7514	8955	14174	12451	6353	6110	1	1	13151	14714	1	1	9319	9425	14004	13827	16419	15891	48675	40059	8107	9193	13076	12793	13422	14820	79991	80637	9855	7794	11471	10307	7989	11163	17854	19089	65145	69550	37173	46644	10899	10810	85197	85896	60201	70725	71592	78267	19648	15118	79712	83534	61416	65887	14496	14453	49354	48821	18293	19363	26039	25730	7982	8205	20128	19854	18608	18250	23801	26147	33740	31109	24237	24570	30221	31561	32278	32038	21373	21761	31168	32747	29838	32786	38839	36236	33119	31647	40808	42184	35599	35915	33045	32413	36874	35437	29867	34116	35654	36046	26150	25369	27196	24415	17000	19040	26662	29325	26740	22377	33937	36895	21603	20984	44214	43464	40493	37202	21335	25250	11942	10621	13032	11891	20619	21137	7533	1	29324	29502	17763	19610	44173	47039	16567	14209	21074	18532	11117	11561	74244	72336	46041	45264	15317	16746	50069	52219	36961	39586	12453	11483	37474	33344	11503	9939	68940	69232	18046	18864	48952	53036	91204	86135	38009	42276
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C8 H7 N7 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8028	9326	16633	16210	45774	45070	10228	11340	8907	9863	6377	1	71232	79589	10059	9222	1	7893	1	1	7666	8278	33415	36995	22566	24150	1	1	74365	76405	45397	48613	72816	74795	18864	26113	76651	76107	56712	59547	11040	11486	36289	43098	21473	20514	26334	25084	1	1	14694	16151	9529	7024	26703	20615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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294.1826@13.715968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11224	22546	265386	102396	22013	11437	1	1	1	1	1	1	1	17432	1	1	1	1	6868	1	10347	1	7161	1	12586	1	45279	9807	1	1	1	1	1	1	42829	1	10608	11098	1	1	1	20301	11517	1	17037	1	16887	8206	1	1	1	10756	1	14328	10525	17937	1	1	1	1	11775	1	12574	10635	16993	18489	1	1	1	1	24429	1	1	1	1	1	5833	1	12500	21947	1	12835	7813	20570	1	21541	6879	1	11706	14156	54112	14000	1	22925	1	1	135808	121422	10256	1	1	1	7613	18122	1	1	1	1	1	1	1	1	1	12869	1	1	1	1	8028	1	1	1	94215	1	1	15998	17386	1	33460	102842	1	1
109.9979@1.0550002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12372	14546	43362	44150	1	1	12411	11052	1	1	88669	85160	1	1	20923	18778	1	1	10222	13239	26483	26560	15815	16433	1	1	17769	19151	14873	14733	33327	36033	1	11976	28867	26541	25659	25095	11204	10013	18019	20303	16232	10973	12050	15399	7880	8090	10255	8792	1	1	14706	15216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H9 N5 O8	41071	44023	43022	41290	55075	51979	37431	39052	64977	61982	57797	58269	53843	52696	24084	25948	64244	65251	51808	50913	50504	52192	22747	26091	54818	64438	40730	35977	27227	25167	87466	92321	100807	97250	99589	91341	104384	103172	58821	62867	94742	98940	68327	69586	41235	41426	45086	50638	75027	90582	63405	61505	64868	57228	121598	123411	104623	110328	54987	48864	54983	59814	94279	96292	32848	35432	39674	42719	92755	93176	130132	122648	55539	54783	56839	65082	36803	36874	36658	40074	86740	106486	98167	110153	97824	103361	125196	128814	126220	126994	174569	174041	78923	86988	174647	171659	168130	163653	50753	50090	130301	138352	58707	66333	81192	82489	97465	96508	82283	79064	63168	69324	86092	85799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H18 N16 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	134400	139849	147082	38779	157245	143895	63248	79594	104427	131432	517767	273740	174904	243453	117275	50488	53422	142018	114700	130433	205593	72255	104865	107323	95351	114051	94285	26133	25703	27903	121930	125267	25367	63141	59958	77989	159020	120475	104136	136087	31549	150759	102759	41541	144891	48286	44153	97129	105391	355860	64439	100874	63371	74933	109987	89759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide nullnullnull 7.961282	59515	59069	47085	48446	13449	13551	61718	56642	174919	173399	28075	27814	77217	75123	108856	106258	83122	80251	77549	78494	64299	71865	69658	74000	35735	34480	196731	194918	136553	144650	162170	161489	148307	145209	266798	263094	320820	319136	524655	527941	281220	280220	154732	156245	247926	240541	240051	247365	62038	56859	33035	34968	288220	284154	21332	21940	137178	130590	40638	44931	48813	48714	64181	66323	50774	53067	22406	23173	16886	16670	172003	172103	48440	51572	18768	19229	46116	47219	48016	47024	53142	50302	65439	63577	41639	39783	38658	103975	150249	152914	102814	98795	16980	19027	130466	121003	193924	195014	59359	58366	327938	325302	63707	57300	41781	41040	11226	9840	64439	63421	51659	49879	62439	54248	7986	12448	1	1	1	1	1	1	11429	13697	1	1	1	1	33825	32015	12190	1	1	1	28260	25892	33910	35100	1	1	1	1	17555	17210	41248	39830	16508	18160	107169	103863	34166	34196	34666	31451	14937	14787	70610	67426	1	1	1	1	102624	103033	64097	64551	41682	41951	22315	23150	81225	82101	79411	76824	46862	45736	49647	49741	18834	17228	18012	18626	36331	31533	142733	137459	75366	74420	20062	17934	120197	114959	40131	37406	19637	22860	37294	11682	11952	14225	150583	145828	23296	24553	87400	29692	159987	172002	69312	21469
164.9972@0.88100773	22278	21271	17482	19580	12990	15563	18738	18702	14990	22389	15035	14300	15119	18823	12715	16622	23217	18508	16987	11968	18560	18136	17170	21945	22187	13546	19435	16675	22547	16238	1	1	1	9974	1	1	1	7116	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11417	1	1	1	12120	15553	15238	14434	35998	39360	9408	8772	14563	13747	11464	12175	61264	61548	1	1	11899	14536	1	13394	12866	13081	43457	44491	31566	34045	11200	13428	49861	48889	40385	44368	52496	50869	16765	15040	50066	50738	46293	48084	8665	11295	33879	32761	12446	13335	19152	16519	1	1	14470	17279	13890	15649	21618	19445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11153	14383	1	1	1	1	1	1	1	1	1	1	12594	10098	14034	15128	1	1	11525	10593	16864	15635	1	1	9612	13757	1	1	9604	1	1	1	10914	10400	11818	10515	11898	12353
> limit nullnullnull 0.83947486	51177	58035	50155	52248	63440	62352	47652	45648	55232	51821	63840	61113	56462	52987	58051	52580	48971	48140	55117	60762	58790	62886	39804	48128	59612	63067	60421	60129	45799	46340	43887	44996	47072	47141	41297	39474	43973	42551	57480	46389	43203	44767	43881	42273	43339	41126	45387	45866	33957	36484	49424	49158	58834	59451	36230	34618	56610	54668	50445	45519	46485	50170	36089	34398	51682	42430	50259	47864	43030	38654	24154	28602	83721	80232	74953	66903	52636	19542	17285	21469	20462	22735	28096	33887	37220	42600	20549	25479	26143	25529	29330	29242	58417	48733	35966	34378	45194	44718	78339	83088	60633	56811	86996	73415	78983	75060	67532	60178	70781	83720	73307	77216	97192	80637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
380.8574@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58106	58187	48339	54531	69742	63727	48874	51049	52489	47990	45962	43762	84406	74816	32920	34216	50533	55322	53406	68806	58477	44668	51372	61444	62320	71701	43773	33637	62191	59590	72832	72246	67515	58042	55014	34169	70150	62015	59244	54983	54344	50273	56715	55289	51657	49787	57750	46112	47072	48333	45223	32243	56673	44418	64116	65183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
202.0119@1.3629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19546	15426	1	1	31427	32463	34925	35171	1	1	1	1	42996	45383	1	1	16958	18138	29457	40849	68499	61754	56331	46341	68290	66991	26100	25062	48470	48730	89455	95765	43093	45713	1	1	42070	43490	94783	88817	32559	37069	80713	77759	11882	14119	17363	13651	15632	14911	10850	1	1	1	18956	12122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone	49607	50830	21221	12982	43704	51963	27933	1	57167	51624	1	49183	56718	62063	45598	20829	49972	45348	55153	28777	52438	62366	52279	30361	60908	59533	18491	29459	1	22854	1	52787	52122	19120	26778	31511	22355	66354	20142	1	1	1	22024	59622	54744	21885	55937	59079	32341	58619	59412	73855	74841	1	25478	64936	25226	62322	30420	34457	35022	38474	38847	23277	31122	32708	30866	27487	33424	34242	36243	36700	64910	51326	67457	35710	51090	30985	33923	19978	29238	52241	40124	30599	43378	17196	14818	29541	31839	29921	25498	29464	27121	27038	18530	33278	21834	21133	17433	33550	16597	21537	16592	29304	13700	23758	25991	24802	37486	17074	29839	20173	175721	14452	33288	43721	36800	40508	22072	22191	34660	21754	31587	22469	37317	35581	22547	47218	30583	42062	25981	36346	28306	22377	44715	17054	19142	46000	38310	42120	17920	20912	33558	20725	15692	36537	43428	21531	35406	21986	17274	33038	24383	29214	36124	40223	33417	28647	25254	35031	41437	46064	39044	36001	23054	40905	40444	50173	44910	41168	23889	26958	24001	20278	24797	28311	57714	43632	41614	41914	47967	72615	73914	67315	49513	84516	48199	78511	74317	39839	88715	72633	43343	48476	50377	67936	68767	78407	62670	63800	71792	70973	43792	49974	83561	66764	52416	87668	81749	44334
549.8109@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53289	53275	49439	51826	71444	64255	40433	36964	43445	36368	34869	33387	89252	95480	29398	21747	30532	33047	46324	36391	52167	52214	71440	67255	74226	74828	33519	36386	78841	73887	70592	64186	65305	66883	31236	28066	76092	73884	63308	66173	45830	39844	55467	60523	46492	53957	45577	51471	30120	28527	48787	44632	47257	45169	52480	50765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.1008@9.893002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27312	22034	1	1	1	1	1	1	1	18220	79925	87916	66878	60812	1	1	22083	21056	26098	34539	30486	28582	1	1	47024	45173	50700	53220	1	1	40484	38052	21736	19076	21635	25427	1	1	1	18943	19608	1	88661	22133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
616.9209@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15101	14128	15048	16520	32998	28900	14998	14337	16009	15749	19163	17945	43680	43211	23034	21844	20693	22008	16539	7896	1	1	18241	21574	20058	27477	15596	16457	58736	58373	52255	54530	67854	72826	26022	39537	83536	77743	71366	70515	22471	23792	53128	51175	22744	22622	26085	26348	25192	24516	23753	24516	23972	23169	40673	26310	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.8197@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	82762	79717	86844	83730	78370	78341	94994	88847	90834	95840	74554	80638	80863	85700	56334	57988	83972	77076	85062	90938	83442	88307	65439	66300	67283	73126	72186	67678	90273	82688	83585	84316	89445	83591	62398	56673	97389	95156	78898	81656	80045	74739	82059	78730	72201	79873	88668	77117	65627	74019	81765	74043	86280	77732	88842	84236	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
192.0241@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31216	25202	36067	32584	101360	102034	17187	13244	20583	28725	43306	48026	219621	213989	13225	11536	18342	19851	12682	1	20608	17452	139903	143869	101586	113477	38887	43246	232946	226948	153005	150402	208719	194792	36822	45142	177449	181550	144189	146506	18694	24579	91757	91503	20771	26506	34723	36826	29841	29830	32518	30771	30933	28865	34827	44209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H3 Cl3 N7 O S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	129490	135300	116989	111316	75342	93880	106425	138831	117676	123699	103582	107779	56331	61041	80947	57214	104698	96558	105770	119696	106877	108109	62058	59465	82864	86379	88843	88960	49311	44589	48020	49001	56859	63699	51022	56177	75777	66835	88884	85082	130256	124306	105777	91925	123374	123284	111345	107373	74233	78286	110291	113925	115386	115186	139833	128274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 N O8 S2	73432	68452	64529	67028	61367	62307	66912	70265	69255	67227	61130	55740	64241	61946	65249	60695	67640	62832	64746	67814	54534	52783	69165	73521	63274	69193	64452	69625	72396	73705	39608	41086	50093	48073	33242	35728	34930	33486	50215	50689	41436	43681	44568	39250	48556	53920	60498	63526	22731	24680	28774	26971	58118	56782	8650	15458	58988	57752	53554	54323	49670	49179	51450	49394	45454	41405	42857	41026	38598	36645	56026	58756	49817	47640	47983	47441	42971	34420	42368	44128	54815	50062	51775	53119	36651	36547	52680	50145	51478	51942	57330	56625	37334	42133	62369	59045	60549	66628	54603	57022	62957	61546	67267	63711	60617	61539	34254	40938	62249	63210	60682	56767	79087	61866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 1.1839993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5700	5867	13192	14805	48249	48570	6381	6917	12801	12180	7163	6006	66001	69785	1	1	5784	1	1	1	13047	13787	42310	42156	15107	14486	8713	8291	77399	74155	60061	61820	51460	52380	1	1	64129	64133	24807	22385	7040	6650	35912	33951	15261	15238	12510	14763	1	1	1	1	1	1	20259	17591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H28 N5 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9136	22343	23170	43726	43315	47953	50563	24134	27012	90421	88027	20678	22187	32985	32084	22974	23766	49769	53219	12919	13549	1	1	92385	85073	14118	13542	68836	69334	22393	21973	10898	11234	24522	23452	1	1	8117	9799	1	1	20257	25407	11601	10488	14514	14065	10195	10994	13083	14712	10740	11755	23121	23688	1	8940	67225	67213	46553	50608	17186	17851	1	1	33201	27853	29969	28497	22564	21050	41731	42744	11569	13828	14965	14782	1	1	27732	30987	23868	20744	26712	18149	1	1	1	1	1	1	1	1	7977	1	1	7607	8755	1	10202	9829	1	1	1	1	1	1	1	1	9171	9839	1	1	10075	9076	1	1	1	1	10433	12080	12385	11795	13100	12899	1	1	9107	9625	1	1	8991	1	10665	10302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
174.035@0.9346465	47722	40691	43015	42704	48418	41348	37112	38719	59593	57733	50489	51655	47439	50338	26466	29051	79179	56894	44118	44022	46128	43321	25098	35207	55176	68248	41150	45598	34425	32838	59502	59847	76220	81867	69751	67450	70074	70817	71325	68926	63468	63421	56020	58462	40240	44179	65877	74123	52606	55611	37214	35311	71211	75602	64552	75833	86249	89295	42998	39840	30525	32053	42085	40678	40270	40066	43294	42789	37274	33262	37921	41377	29560	24317	43003	42227	43517	47330	30918	35970	15627	14827	30081	36898	28040	32148	29227	28828	23377	26812	29778	32208	23230	22452	43282	43023	48163	51754	47346	46326	48194	44740	39779	37201	44425	45679	52204	53148	31951	31568	45688	42464	58981	55480	46261	42378	46589	48495	52663	55820	54615	53261	45138	44377	47466	44504	40838	46288	35855	35526	52149	54353	31864	41012	42357	39222	54282	55828	44376	45771	54082	58791	37436	40649	58039	57747	46238	44171	59694	60422	57265	52998	48422	49575	26842	25428	44840	42646	57769	60566	41325	39580	43488	43061	25614	27210	30764	32433	26018	32002	43981	39995	37306	30037	36809	33352	27490	27346	34137	30749	38368	36529	34250	32837	31623	34468	36412	38342	38834	39203	26319	22713	47308	54112	30037	33066	39801	38580	32990	34214	37298	40187	26526	26448	36633	33513	24949	23119	27140	26740
C14 H6 N2 O16 S2	60990	34660	34299	1	18382	26018	35241	33432	31163	43609	37912	19028	39528	26715	28297	22464	32164	1	1	1	1	32943	1	17850	21922	12113	19056	20669	39410	11738	33370	20610	10093	28051	21172	29219	25028	329741	67444	56202	19505	21694	27981	13755	35075	32131	41629	30015	23736	45352	18002	13570	43551	20351	18581	23535	45350	35547	45215	41116	41411	24613	37817	23004	22143	33162	33313	30199	27161	39690	34571	26066	29577	31181	32988	25549	22175	30814	47116	37485	13984	1	7270	15374	30295	19624	12199	15350	24698	21988	28140	15860	25519	25739	22960	25659	26316	22555	30080	1	42221	22204	25789	13399	29876	11175	20858	24373	33822	14536	28212	21689	43195	26775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
536.9357@0.8610712	10183	8849	9351	9207	21610	20098	9203	18254	18158	9158	18115	19765	7461	19108	20295	18098	8108	10013	18696	21736	18550	17823	19384	20801	22405	22032	21190	20116	8884	9054	26082	25449	28380	26210	27908	29672	26854	27911	26963	28515	28321	28776	27394	29827	29268	29268	28091	28016	29398	31888	34234	30328	32606	31187	31844	32666	36203	32900	54452	58553	59478	59686	61501	57067	51609	49504	52084	52792	35799	30501	46195	40036	58708	51381	64043	57544	54546	42171	47105	48299	47275	48340	55536	53653	30169	31339	28339	27272	40091	40821	40542	42909	32229	42442	45472	47275	61701	56306	33723	72003	64703	68466	76571	78825	73452	69945	53936	54090	63922	69113	71481	75960	82363	80251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.8655@0.8428878	82676	78905	87285	79429	75601	77135	79621	80623	81880	87301	79310	77556	79396	72145	77254	76824	82604	81751	76176	78610	63968	63118	90095	86682	82674	90055	80226	82050	92275	93846	47946	37868	40115	36219	36740	27200	44582	37189	43031	40503	47579	41004	38485	37399	34713	35317	37264	43174	32549	28821	31368	26389	48287	46102	32423	36957	49640	48167	62654	58910	52275	55385	59659	65163	54847	60642	60261	60330	52827	56567	62513	58220	76354	75249	69031	68704	60617	36276	23266	27346	37640	45464	41473	57051	48740	51555	69613	68438	73206	76894	73841	77429	78212	89869	87227	87011	99352	89196	78533	80269	96293	86047	89548	92947	91874	83976	58788	64676	82680	89673	72709	82687	104716	91428	8068	10769	11552	10516	17090	15264	11583	13979	8143	8607	8889	11262	10348	13965	11178	15068	11298	9141	12959	12797	11438	9106	10069	1	13617	12978	10288	15132	11328	12440	9476	13956	10381	10428	11472	11122	11896	9973	9251	8953	17019	10683	7886	7115	18929	19325	10225	10645	9125	8022	8747	9526	8369	8593	11594	9516	1	7364	18652	20573	9502	8835	6905	1	9641	8239	10851	8985	8997	9801	20778	16525	28157	28852	11480	10312	17996	21220	23155	20848	7845	8322	19581	20338	9222	12352	20328	20341	7239	7468	15148	16778	25885	26635	17603	16138
C7 H5 Cl2 O8 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	448206	335864	251836	319657	226465	215972	243844	132081	88876	54192	220089	209071	225845	213714	570334	203622	137645	149367	137726	69942	1	131032	1	112594	148544	192450	126788	124098	146265	196335	210991	204643	184356	123209	172457	249988	210308	196095	240179	333960	301931	162083	177127	141361	50399	149683	98664	182171	1	180130	132717	32332	1	52836	1199266	111487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
555.8065@0.85107356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60678	56761	65560	60526	97636	84382	41793	48188	68320	60099	42063	32876	103463	107833	31982	42650	43552	38175	51672	60701	66613	69863	74773	77069	79387	78275	43576	42194	87619	94815	79108	79392	84881	84012	52456	49385	92056	88694	81332	76254	50503	43137	80079	75217	52995	50150	58341	50799	25849	29518	59678	53817	58149	37026	65928	64577	6216	9792	8758	9062	9005	12758	13365	1	1	1	13094	9910	12741	11878	10535	13347	8512	10121	14838	10965	8257	9135	9041	10557	5383	8854	14702	16851	12653	13521	10943	12284	11652	7696	6373	7750	7861	1	9638	10549	11048	9731	1	6259	11800	8019	14271	13217	12572	1	6612	7390	1	6341	5531	1	1	1	10372	10558	1	1	8317	8477	1	1	7616	7894	6538	1	8545	8027	12053	11022	6797	6668	8101	8420	10661	9973	1	6685	9935	9048	6353	1	9319	6575	5606	5925	8664	8922	6564	7971	9709	9503
(9R,13R)-1a,1b-dihomo-jasmonic acid	15619	22638	28100	23142	20702	25391	26170	17037	25209	14718	14285	23471	14843	31014	11202	10623	18904	20893	16578	15026	15167	32602	15813	26927	35949	17851	17810	22229	16917	21744	17333	13733	15945	16278	31577	23091	16672	24509	8582	19269	29571	11995	13753	35348	21492	14977	36149	74584	18262	60017	21769	23240	23220	18463	29752	24030	46258	27663	12637	1	1	30592	1	10608	33512	1	1	1	1	1	12776	1	1	28835	1	16228	24850	18554	1	38829	24136	21169	41893	22259	16223	18348	18221	30848	18367	18076	17956	12922	17422	24796	41380	10482	10353	11662	18608	11884	42721	24064	28956	35586	9553	15542	39675	17918	31296	18390	34685	16128	743952	18751	20986	14951	22073	15485	20797	15095	54791	17052	14559	39110	19646	16904	19360	35507	17669	15157	13469	16885	18979	16667	18776	17874	15200	19712	46425	30619	18679	17405	16367	23818	22943	17835	14610	17626	18530	15996	18013	18492	17718	20073	18646	21026	17435	15264	18809	26442	56779	15988	12933	48069	34308	27318	19961	20391	34273	41395	24667	37913	36977	29359	41751	25501	48864	39434	37067	36081	28728	19828	29233	38990	34065	21055	42901	35031	19194	25108	32602	23486	30240	37349	71113	26314	31712	42772	35240	19126	26171	37341	32809	20753	31371	21493	33930	31383	24332	29623
C8 H4 Cl2 N S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26495	26853	19152	25306	29413	27141	31470	33324	29116	32457	21952	22113	27786	16801	20322	16366	41882	45065	34821	41732	28567	30857	20016	12787	15031	23469	24077	24794	19788	12360	17541	21097	18700	17694	9861	15719	19581	17660	22890	26196	35531	34440	22119	25709	28776	27182	32012	33530	45016	45983	27889	22766	31689	30573	40722	37217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.78200006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27703	26852	27220	25071	29459	28639	29542	28381	27910	27050	30466	29956	30380	29052	32223	1	26820	26519	27453	23735	23280	27630	24553	1	23956	1	23435	21955	1	23534	1	20828	23823	23434	150374	23956	14451	30641	27579	27390	26010	27484	25566	28476	27254	24551	26720	27897	23266	25537	28199	29292	24079	21785	1	27447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.9401@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21036	22187	25200	25796	87933	83292	10823	10227	15395	16248	23095	21906	88557	89048	24043	25761	19259	21672	12073	1	10223	11269	64869	66937	57703	25598	24010	26757	92478	94448	96881	101217	53222	54806	41962	54851	55934	63509	119672	70612	20232	18499	98236	94580	34921	38539	42078	39757	28377	27809	39399	42342	34023	30109	51050	45623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.8035@0.856107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57277	59561	57057	57556	52549	45187	66361	69741	68832	70619	65889	63166	57253	58530	35036	33547	62743	65161	68097	86807	61032	68086	54068	48403	57026	51169	67630	64139	56045	52294	44934	53653	48236	50859	29407	23550	46663	58452	48672	46714	59995	58640	50520	39338	49688	52601	48431	46839	71897	66895	40646	49868	58589	56578	59580	53998	47039	53660	52844	58095	38356	36885	54988	51146	51096	57058	51584	55106	54023	47434	45775	50916	49862	51673	48910	46111	46966	52578	55187	56185	46211	48795	55108	52427	55407	52311	62370	56054	52874	54082	58637	65577	55881	54837	56711	54710	37226	36077	57539	59107	39540	39541	48432	52311	64300	61427	22835	23721	27524	28746	25764	26464	44853	47840	28127	26835	27190	28888	44495	45121	34984	29380	26689	31728	33484	33427	32413	34994	31440	33189	32218	32937	28525	30747	33549	33105	31254	30666	31327	27533	33209	31241	31930	31821	50425	56268	29431	30376	30273	32987	32582	33725
3-Butynoate nullnullnull 1.1759845	205516	212661	227182	241813	179208	171004	228943	224070	220817	231836	163011	164292	191958	195509	211131	200840	190376	181434	199494	195293	139113	145964	261893	283966	195357	207131	203347	195178	228346	225477	28259	1	1	29451	102797	99947	13946	1	1	166432	1	1	21178	1	1	1	37208	34617	57289	13325	1	1	85354	71309	50665	1	155090	46915	65585	58288	44246	31573	186102	190511	39614	37765	39094	31862	49101	49327	91634	95940	44300	26542	78194	70365	87326	106084	156598	161809	238670	213554	253602	147300	90271	82767	251108	267924	108752	106780	153025	152175	40788	47684	142814	150783	118272	116536	50218	53007	147789	152859	72871	75809	71938	74142	57318	59745	52364	86479	67038	65579	96156	82163	1	1	1	1	1	1	1	1	1	1	1	1	1	10584	16798	1	1	1	1	1	20114	9835	1	1	1	1	1	1	15749	1	1	1	1	1	13791	1	1	1	1	17804	15569	15697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15293	16078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13355	13911	10068	18332
> limit nullnullnull 13.381898	117228	104622	88286	1	1	1	71108	1	50968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36870	53556	67392	31865	33149	55281	18386	25618	108979	111271	86174	35118	30069	24913	21224	45058	70218	135390	88966	1	53601	41055	116947	154468	70792	94702	56827	59158	19198	41951	1	1	42308	11076	1	34535	35320	1	1	1	54647	1	62629	79108	56722	39080	48359	37108	56295	40358	1	1	16786	131263	1	1	10807	13230	1	29479	32624	28327	77992	22371	76525	94445	67345	22067	56390	1	55471	40781	21041	123500	28261	61430	31628	85444	33236	22222	31915	108203	228148	31867	24764	40714	27491	36371	26295	46559	36285	40738	24721	41367	34136	29006	31185	43481	28020	37804	39350	28620	55875	41714	27457	24301	44308	27624	43201	40254	45667	39474	49481	63330	23926	26749	47631	25804	17944	24510	27277	57912	21481	22703	50481	46285	50020	89374	46954	25241	1	41274	30866	34956	140014	1	92459	130426	109802	39029	62137	1	84166	70615	433260	1	1	1	119202	74082	145133	22564	193873	294204	116840	72095	122423	87662	103123	87776	79668	10344	84387	92039	100907	90012	110917	96852	67964	91154	1	128228	135973	274351	86019	67355	132130	340669	170204	1
17?-Hydroxy-5?-androstan-3-one sulfate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9891	10246	1	1	1	1	1	1	61047	63270	1	1	1	1	1	1	1	1	32652	33351	21480	23093	1	1	6872	7548	27242	30172	67252	67912	1	1	68250	71339	61871	65824	1	1	10842	10245	1	1	9577	10210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45328	45697	1	1	1	1	1	1	1	1	1	1	18164	20184	102038	107395	1	1	9615	9728	188853	192243	1	1	80075	86285	1	1	18428	20050	1	1	18110	16350	16259	17203	89787	86840
Teniposide	33480	35439	25744	25115	26283	24486	11553	11261	9554	8011	7682	10357	7596	7658	7010	6853	7935	7333	1	8074	9501	9731	9803	11450	10515	13168	12737	11610	11284	11547	12790	10720	13857	11415	11386	9913	10760	13048	11936	12119	13562	13770	10095	11596	10046	10686	11959	12257	12210	10758	1	1	14025	13027	11704	11128	12369	13011	18412	23116	27199	30464	14118	15170	14853	13246	15646	15789	11332	13937	10613	10289	18199	22574	27701	23460	22404	22536	37729	37978	21339	23521	22178	23046	23932	22173	18904	18625	17892	18208	21146	20822	7685	1	21510	22326	21912	21865	33999	33627	15292	13866	13228	13011	13963	12091	9705	9469	11387	10056	11504	9169	11676	12704	7165	8504	9236	1	10148	11810	9387	11941	7072	8778	7338	8499	11947	12350	9180	10842	8565	8494	10508	8604	9169	10061	25960	24535	8818	8882	12347	11658	12314	10160	10825	10924	9487	10422	9576	9434	8470	9572	10010	11604	11722	13726	12336	11815	11883	11146	12765	12782	13504	11638	8478	8480	6854	7788	10960	10713	8965	8024	1	6984	7457	8632	7925	6723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10019	9218	1	1	1	1	1	1
148.0355@0.91146004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32942	33179	25096	27808	24408	22385	36779	38002	40845	37825	17232	16985	16958	24987	28480	49017	58285	53668	54955	10077	24140	20038	1	1	27209	27943	31417	17313	15811	17497	11593	9838	16520	14664	24192	22427	14800	23484	17961	13293	43383	40936	21271	33566	13157	14269	19534	14438	18581	17971	12452	23801	35419	25554	71509	53620	1	1	1	1	6675	1	1	1	1	1	1	1	1	1	1	11116	1	1	1	1	8958	11144	6562	9149	1	1	1	1	7844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10916	8223	1	6732	6027	5962	1	1	106606	103387	74521	79835	25637	20332	22456	20217	40662	36224	1	1	96789	102041	56363	55820	24218	25882	95123	82624	87573	86966	21939	22484	80462	87322	26740	24993	89427	85845	1	1	119516	127642	127289	135867	114889	120208
L-Threonine nullnullnull 0.9057235	1023408	1018213	1106111	1109753	600065	605991	1145645	1129431	1033726	1082567	734360	725365	835435	835978	731229	717344	1009336	974764	834821	823634	445820	445224	1119700	1174977	742584	801449	788451	787775	1042503	1081716	42469	39308	43213	44451	31763	30264	25403	19799	68136	67600	30455	31013	20613	23737	52079	53261	55038	60180	19178	17893	17987	15887	65778	71233	7254	6514	41495	42239	97682	108413	128065	126400	206255	200468	94689	91995	104045	106407	118791	113620	276887	289907	98506	95202	143598	134541	86079	75073	127226	131374	249462	249642	162271	168715	126052	121768	362744	361346	260185	273220	289537	281577	117779	136182	296117	286804	236827	233364	147651	150924	206012	198898	151507	152843	216641	212480	108488	110999	162271	175280	152128	149836	292352	252742	13940	15788	24455	24771	19003	20961	51460	55210	14389	14949	16163	15461	36351	36588	16029	16880	18768	23351	22004	22081	24395	27608	22936	22259	56276	54030	13834	15758	55087	54965	17172	17759	27140	25237	17831	15590	16969	16236	23918	22104	27464	27686	15443	18140	20910	23600	15426	15199	21387	25323	60604	56022	68616	75067	78095	82195	56488	54306	169450	172334	93369	100898	103242	99521	59180	57636	119861	113800	38584	42474	139786	143152	214427	213298	84641	89469	164852	165718	208752	211944	52884	54127	184777	187234	58088	56956	125154	122216	67491	69926	135497	133591	180398	174685	160738	164380
S-(1,2-Dicarboxyethyl)Glutathione	34211	30666	83640	86295	53601	54628	78862	77757	70248	70513	51102	46712	61273	60503	72590	73842	64130	60848	77420	75238	24895	25998	97145	94931	48967	51472	52224	51966	71868	74663	1	1	1	1	1	1	1	1	1	6990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17741	20899	1	5837	18734	20579	43858	46149	7399	9702	16333	15239	41999	37949	77114	79861	1	1	10066	11475	1	1	14750	14640	47070	41637	9446	9668	18829	20054	52615	52222	25436	27228	32928	36768	17987	6059	65910	61116	18724	19592	7877	6549	21605	21467	14858	17972	26595	27005	18705	20182	1	1	1	1	71954	22941	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glucuronic acid	137120	139503	225968	231744	188103	187568	236526	238038	218174	210894	151389	146205	179668	195582	156130	150258	138125	137977	169764	177220	67328	69125	158681	163377	159575	166889	131586	124862	184807	187352	39776	37878	29848	30145	36790	36626	30920	31240	31868	33561	52536	55366	38137	38861	72704	69735	48438	46007	27480	24288	34144	33330	45835	50214	22511	22055	51751	50696	57936	56087	25689	33101	84444	52972	29921	18781	20463	21427	25488	25721	95442	83025	62665	44955	24787	30275	38921	33600	31209	30770	75659	74749	60028	131751	18643	23772	123731	157136	84086	110645	64507	77210	30861	52696	66166	129673	102183	107396	40402	43331	75207	101082	51093	56617	40644	44653	52184	56781	74267	60145	106402	63927	69568	73606	10191	11223	10345	1	1	1	10686	11544	11202	9327	12031	14230	11957	11141	13823	16670	10590	13359	11973	12098	14427	12369	12528	12138	12365	10343	12147	12496	13033	13265	9954	1	9566	10742	13163	14916	9915	12301	12195	11301	12460	12791	9413	12872	9603	10049	13714	13691	14640	15519	20642	18759	24949	24464	32575	33328	15163	14105	42357	39948	29019	30395	24173	23121	33295	31399	31702	30647	22241	24109	127801	133763	32906	36628	27391	25800	82080	79776	36590	33984	27729	28012	44755	43358	28061	24994	145715	145792	15649	14840	93217	95135	180961	184012	52196	53610
135.0543@3.0945113	57673	53194	161392	91494	112772	101182	132270	133703	113813	116213	70530	66789	102184	105412	65363	56981	46538	71675	81782	82379	19219	26729	85924	109993	104696	86826	65373	71681	91371	85851	12759	20929	15920	16589	7648	1	1	1	19817	1	16563	15435	1	1	16485	21572	21796	21236	7922	1	1	1	22772	11976	1	1	23640	21300	6720	9007	5910	31083	28030	34994	1	1	6439	10153	31768	32531	84985	79258	1	1	16352	14898	1	1	16463	20827	65404	75663	32656	29225	21355	19189	28224	32978	16237	24270	40961	35717	1	19939	54823	58128	32062	36031	1	1	22640	19840	23191	23129	22999	22633	14808	15252	12748	10336	1	8843	44906	33744	67205	65146	50983	57410	59217	55417	77957	67020	59606	24448	75290	54595	67811	32949	52348	56871	119837	127619	77923	75758	59362	48168	71150	81018	73421	50541	43220	66864	63058	62627	49694	41885	68830	63441	40105	44890	45980	30729	52908	59677	41501	33670	70554	51431	105219	90028	33607	58922	72353	48140	29484	28996	26976	28104	29140	16794	40886	1	39001	41201	25548	24092	49952	19637	32181	15916	42845	35872	23133	33957	45045	53911	43406	51745	31256	28880	29051	42595	48222	36159	20777	15281	66519	34568	16012	37526	9512	42117	23949	23935	11772	7710	72922	25519	12733	42444
1100.0273@1.163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11855	11889	1	1	1	1	1	6255	9164	8515	20482	18867	13733	21565	1	1	20733	25427	79610	17032	12886	15434	1	1	13726	18680	28697	12422	1	1	13697	11952	1	1	1	1	1	1	1	1	1	6589	8436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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> limit nullnullnull 12.052001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	313139	337548	573060	154709	195077	162907	116784	327881	165865	317960	314788	94805	308340	300260	220835	180205	164011	79458	75815	181849	204413	204454	134954	261934	234772	211381	204466	130520	164017	188406	194697	160958	208121	185484	197552	213131	219393	197707	106618	181775	117973	206588	202818	50099	178496	196327	231230	202475	178351	88400	66928	351688	167334	168162	153386	193578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H4 N O2 S3 nullnullnull 2.8265114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	419716	1	1	1	1	1	1	1	1	1	1	385621	360465	355664	485358	495701	767624	144294	840515	472414	352512	361012	364720	597489	449227	254627	394042	1	600220	235488	419874	169682	139472	287888	470351	846116	405803	362396	349485	426432	611900	290136	430110	302857	125393	148141	669803	1	746500	287793	532154	292583	454537	496271	528067	311400	381938	1	183444	341484	386567	400003	354346	305277	222483	540950	246176	164425	638962	424823	624269	542629	756936	451043	351592	403734	519438	276848	650464	613643	645470	193357	325463	580811	224796	539289	482670	495185	412808	261631	507382	464568	399652	626150	372943	446665	495268	418154	413413	244929	180153	301811	161314	226784	201914	185186	464010	254253	253963	496196	262463	328632	189677	161994	469608	157078	253374	138043	238348	277520	321238	155747	95509	171743	114786	360478	377873	107722	243334	200274	142876	153657	98009	187376	164478	167712	454931	127496	367662	328353	116819	414149	502795	349936	119199
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199.0306@3.0289996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11237	11602	1	1	1	1	1	1	9884	9754	30848	35336	32926	48232	8860	11484	13283	14361	27928	29813	23590	25835	1	1	26487	21644	30127	35937	1	1	38243	42386	1	1	1	1	11523	12127	1	12000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 13.252355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100011	53941	177361	47010	17543	60249	105482	61260	97618	38745	31896	116238	30733	115065	52331	182964	87509	48444	80037	77644	65925	72479	1	1	1	1	27692	36374	397843	112292	167779	155228	35778	60139	89697	170507	63786	13259	30175	145655	63822	237910	92308	105242	97439	155548	1	39733	66133	40207	228228	80237	64334	325128	1	41661	134360	338875	99973	300495	79406	80147	171262	133875	165594	140852	44617	76009	82606	106012	1	67814	71427	60777	59846	111239	107942	126945	94948	256830	99254	82286	31019	97595	29437	96783	182282	115413	43795	148900	191497	294817	100711	195863	112958	219749	1	1	198686	68881	162782	1	100220	31603	86682	167351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C27 H44 N8 O14 S	68397	71572	23741	24593	10175	11048	41259	42306	78892	80895	28974	28613	52790	51411	54659	54780	42677	40635	43250	48019	41439	43776	43771	45160	33961	32217	123398	122885	62628	63717	107936	108427	81066	77487	142151	136250	136353	135019	147135	144395	135477	137861	75250	77751	165605	159246	115021	114154	46482	45784	22967	26231	145682	140370	21432	21952	64202	65961	22618	22250	28952	28824	24088	23140	39596	40660	17121	19007	1	1	47990	44502	47015	47667	18546	19213	55522	55360	51577	49586	13181	11414	16898	16793	1	1	33720	33672	43040	43289	16857	19476	11765	14544	38452	40366	36575	34259	52391	51524	74229	76420	53639	52882	24535	24158	1	1	35305	34512	30174	31021	24533	27405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11828	10528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9705	11639	1	1	28721	28637	16919	17475	9219	11083	1	7955	21892	20500	1	1	1	1	31909	29740	26314	27057	14327	12904	13164	12931	46353	42984	24661	22330	1	10193	26979	27174	9937	9486	8455	8488	21915	22679	16995	16987	21421	22419	1	7421	15187	14488	11599	12547	15873	16371	13128	13030	7789	9203	15251	15603	13622	12394	9455	9676	18521	19848	8877	11445
187.9254@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64953	60022	59885	62375	70283	72184	69359	70491	74567	74876	61398	66616	88298	86674	40202	42020	63024	66299	78168	91098	73985	76205	71588	73480	65650	63917	59330	57639	89088	98431	76467	72021	77864	65343	49248	38371	77379	80089	65548	60732	63290	55661	57599	54013	49984	52547	52443	50367	66642	64128	49820	45064	54854	57783	61511	60366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3,5-Dinitroguaiacol	458119	456825	195608	441940	462739	358021	351547	316738	421703	430572	362710	315968	435515	433836	408144	396502	391478	406683	400471	288940	433602	304768	235373	411702	322594	392114	495302	336734	415925	301811	215694	422516	422855	385637	428729	216971	223644	372574	425899	424357	227814	380162	252457	315559	196312	422296	356966	411795	364212	379151	227076	198870	323937	219692	415564	784788	466180	284833	63639	94843	71270	66389	44367	65964	56920	77631	61948	71709	56256	62020	107591	73170	113586	183266	121775	170170	227528	129437	197716	138566	168056	129949	141567	206967	129641	156858	120687	125587	278400	135462	69363	150279	78447	140294	220660	124817	121134	130364	164258	400636	148147	63390	127046	203848	123976	134366	191002	152728	285239	199835	181246	153407	203051	166456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9881@0.90773684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	124053	1	1	1	1	1	1	1	1	1	1	1	99962	55731	19754	1	173349	37812	35670	1	1	54074	52961	1	1	9650	11979	9697	7283	16104	8795	1	1	6182	4667	64683	33074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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220.9995@0.92499954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59526	55510	49684	50144	73460	71366	42709	44116	48594	52202	46184	43426	79889	78992	58514	49735	64876	67829	61089	73402	62505	59979	43478	36397	64744	57341	55873	50341	86272	88133	71570	75809	61576	63471	76016	33943	82964	80944	62634	61806	58932	51556	76273	75373	55085	53796	62125	56830	62177	63042	49003	47740	50971	50607	52291	61187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
731.8248@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44683	38606	46708	48450	36407	40157	49091	45422	46891	48541	43807	39609	37455	34892	50503	53409	51623	53240	49470	30839	22271	23424	25421	25456	30134	32569	38495	41342	38390	39246	35926	36887	37109	38795	48795	43120	41144	44103	42523	48384	55188	57391	45772	49729	56622	58265	48973	45612	50203	50070	52967	49667	51689	51089	63321	57846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
552.8957@0.8839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31196	35547	43195	37734	81863	77651	27652	28501	27466	28793	21806	25228	73677	79186	28652	29568	29293	25624	29145	19532	37032	30783	68988	74176	70364	64656	17805	23021	64926	66925	66084	72424	70307	70560	39522	49710	77707	76964	77946	80777	31351	37162	79449	85690	49457	52285	51461	52265	23335	23221	44392	50017	47358	42802	70597	54509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dihydrosafrole	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10445	14019	29141	38073	12418	12642	17248	16150	10783	1	11891	13115	25844	25799	28338	24542	13940	10693	17062	16642	56909	43449	73670	80020	76081	82718	31983	32441	33162	40762	35171	36910	32471	30636	27957	28743	44984	43301	64318	71790	27937	30207	64712	65406	31125	30649	41546	35895	11519	8076	74639	62603	40262	40530	6037	43392	1	16119	1	1	15520	11324	1	1	1	1	1	1	1	1	1	1	1	1	1	15246	1	13237	12085	14244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19199	22167	1	1	10579	13432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14351	15851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H7 Cl3 N3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49639	51195	53761	54413	58402	56956	48821	42987	50970	50449	43238	42422	42586	47685	88615	82186	68836	68296	52249	24419	22701	26731	32350	34732	36395	47005	43465	42193	39116	38943	48417	52067	56408	55859	42202	91290	66543	74238	80653	81132	83468	84705	87404	87199	87017	86617	88304	89029	59496	59812	84694	83459	81280	81403	138999	98110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
601.8328@0.84562725	41019	41807	37337	45252	39677	38633	38916	50737	28286	42774	38859	25258	43605	39788	33344	38951	44296	37432	41751	39241	37213	40173	27783	38028	38146	32268	38435	40239	41981	40478	42687	37340	35997	36367	32611	35831	34339	34179	33268	33659	34441	31625	36749	35081	40249	38601	37168	36866	41972	40223	10875	11935	35218	35348	38529	37503	38290	32550	62141	68374	52515	56153	39645	46260	61191	48825	55118	51961	50850	45411	38054	39195	33951	31140	42522	42965	47789	54255	50653	48519	33956	30837	44782	45189	45549	47053	35695	36276	36947	40225	41253	33390	27198	23852	43225	52099	46800	53559	48492	48058	55949	45229	53005	51879	40228	52439	38292	43342	53479	53478	46451	54524	45984	46568	47950	49920	45082	45328	23303	28664	45067	44353	46121	42936	49153	44739	41127	42039	42809	45598	45376	46658	47837	49446	48091	48563	49096	49704	47159	45016	46484	41783	46011	47884	46255	49366	43945	42499	44009	51331	49206	43447	41792	44244	26660	26398	47623	48968	29504	26519	48553	52135	47782	46361	18698	14063	18381	21244	14934	18169	23053	21748	20059	19132	19478	19012	34192	34202	22352	20745	16219	15993	21628	20282	20288	14946	20841	20288	19459	16339	10744	12660	20820	22292	21402	22323	12587	19849	21103	22233	13663	16823	29249	24159	14357	20230	8734	10850	21309	16219
185.9568@0.83648163	12915	12016	15573	19753	1	1	14411	13433	140001	17534	1	9032	18471	132929	1	1	113221	13590	13424	1	1	1	16021	19140	11652	14558	10015	12721	10236	139752	105257	1	102313	30827	99726	103246	40415	1	105253	1	43063	1	1	45035	1	40013	31102	24775	115962	37354	1	1	1	35457	103007	28949	48196	48214	15829	16710	21700	16311	35159	23164	1	34080	8761	31712	1	1	36362	1	1	169635	19150	123991	68291	130989	1	117317	30579	34134	1	1	12584	27474	1	22341	138815	1	147508	37324	1	24933	100803	104066	147889	144228	48692	96124	102847	96562	30665	39723	30302	34382	60385	124763	1	35088	172028	42062	92618	35942	15958	13819	12689	12879	15545	18646	15871	17651	9233	10267	19559	17980	17822	17424	20338	17573	15849	16724	15802	19231	18941	17332	16178	17769	18189	15544	18903	15163	17975	15006	6796	12269	14066	13606	9048	8334	17045	17720	12096	13328	20306	18895	11163	9719	22865	21457	18486	18858	11018	12618	6589	1	6949	1	7587	7528	1	1	11477	14455	7618	1	10808	12870	1	1	8764	7705	1	1	13026	12507	18904	18779	1	6789	12140	12897	14758	14992	1	1	12618	15518	1	1	16196	13292	6493	1	13376	13150	16963	17137	15535	13230
494.0599@1.2209996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18654	17045	1	1	1	1	1	1	26124	26652	1	1	1	1	1	1	1	1	16519	14699	1	1	1	1	67261	70776	29174	28739	25921	26414	1	1	44187	43675	9694	6901	1	1	8756	8477	1	1	1	1	1	1	1	1	1	1	1	1	1	6741	1	1	7155	6431	8305	1	1	1	6869	6852	1	1	7085	7512	7180	7106	7636	9023	6170	6600	8320	7319	7696	8184	6916	7134	1	7208	6403	1	1	1	1	1	6682	7574	1	1	7650	7154	1	1	6800	7292	9219	8230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Crotonaldehyde	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20236	31663	20815	18410	62561	61512	46238	43701	20074	22285	1	1	44769	46690	15315	1	25638	35674	42481	23032	49809	52308	72232	55136	88490	84307	30992	25005	100150	93921	82778	82944	44640	47460	1	18233	84929	89377	81335	89990	42329	45152	113347	104134	32649	25429	37894	33854	23592	29843	34461	35630	26244	22843	26771	30923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17022	18991	18121	18913	23259	24968	14079	14475	45351	42867	15433	15701	28189	27899	1	1	20747	19835	1	17250	46253	43595	35293	36048	21414	18739	66119	59989	38665	30612	21437	17012	29174	30956	13768	1	32025	36679	18299	17464	34504	34209	43972	48632	40489	41612
3-Prenyl-4-Hydroxyacetophenone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17298	18033	42655	43025	16567	15130	17863	20180	1	1	24266	21683	33083	35870	36373	35241	20228	20187	23473	22218	72560	73274	142988	130767	135693	137025	50271	49849	40478	38134	54215	57347	43786	44375	38615	45028	84296	77620	121481	111272	53214	48249	109969	109793	56604	58855	65396	72635	16358	17499	119770	118792	49822	47820	82154	69017	9545	9160	10736	11301	11026	15145	8565	13277	1	1	9555	1	1	1	1	8998	1	1	10448	11705	12127	12656	11604	11420	1	1	1	1	1	1	13712	8971	1	1	1	1	12373	14230	1	1	19560	22470	1	1	12168	14249	1	1	1	1	1	1	1	1	1	1	1	1	9036	1	1	1	12206	12465	1	1	1	1	1	1	7734	1	12699	12188	1	1	1	1	1	1	1	1	1	1	1	1	10141	1	1	1	1	1	1	1	1	1
2-O-Caffeoylglucarate	63041	69838	50168	53943	66244	60388	50327	46680	44688	46114	53167	58760	66470	58211	68469	66294	126257	77547	69305	55071	70287	72146	48548	51103	75507	69141	62279	57192	43254	44861	59841	63789	62507	64679	51327	55013	47011	51167	54233	60342	46396	49358	50002	55256	49770	55210	44027	51885	57264	58061	20572	19632	65172	62494	53800	50641	52117	52165	15107	18820	17265	21197	16852	16312	19884	21486	13339	14532	15300	16874	12738	11765	24338	23717	35994	35975	33779	36088	39787	40890	85177	57696	38885	40094	35387	38080	25425	27918	34016	31299	32569	32798	16479	15367	36931	30927	40320	35208	38003	38998	39460	36118	36337	35150	36487	31391	31575	29762	35678	34321	29820	29408	83971	33482	37651	35197	27334	26796	29495	34225	24754	30087	28209	29053	33749	38535	43743	45068	38855	43008	35688	35692	33133	34219	32771	33319	33036	33577	30918	31277	36833	38769	33415	31002	33905	35099	32819	30530	27529	27018	29355	33239	28101	31387	30682	34807	29259	24748	27177	29372	30639	29783	30929	30524	23511	23168	27807	25419	21391	20380	17359	18563	21052	22771	20020	24800	25229	26024	28942	28174	31761	33907	24332	27978	25434	27009	25032	22646	21300	23855	27343	26567	16304	18191	31646	30966	26751	26440	31357	32329	29894	26519	24320	26284	30538	29430	31167	29811	22654	23851
691.4068@12.386545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51365	1	26595	20061	1	1	35704	1	74946	19397	1	1	1	1	1	1	112664	92718	864597	259132	109444	29691	33260	20310	1	1	1	1	38152	16133	1	1	110961	19784	102890	25514	37111	15624	144058	61792	1	1	432589	43057	1	1	95343	43286	1	1	56636	14538	28176	36188	38715	39264	36865	43351	33309	33484	18597	17958	52909	58527	58633	57167	77191	65669	36725	35699	78699	63818	39101	30900	28511	22642	54885	58601	75069	84729	52429	60413	23527	21567	51571	56477	1	1	46840	48119	37073	35503	116702	122794	16839	1	65472	80567	74726	76167	21926	25199	46584	55254	56100	39405	60786	29233	21580	1	44617	1	282660	211185	39903	1	1	1	45319	28686	1	1	40880	1	52353	22010	23585	1	28110	24079	1	1	22967	27452	36307	1	1	1	322693	1	1	1	55782	1	126043	231393	32763	1
535.8097@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74225	68719	67981	66492	116361	120468	56554	59623	59959	65556	43209	48436	126118	126649	44961	43868	49977	47583	56725	51986	61870	70451	100957	100104	96960	108238	44812	45398	109710	105216	106012	107402	105312	103071	68009	64172	109285	119208	115277	114700	54985	59636	113572	102553	76980	81693	75242	65205	41869	43418	70258	69767	64154	64904	84391	84548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8880004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46918	48782	55785	54684	68179	65439	47602	47596	45457	44887	24072	23298	48938	48644	30089	27310	30911	28123	44783	38664	49165	53461	53519	49428	63017	58263	21949	23824	24739	32867	43965	45625	49571	42407	37488	37603	58010	59020	61653	64568	44938	43857	66056	64541	58847	58437	58251	56154	19175	15725	50456	51662	53198	52813	61765	62574	8241	8897	7045	9307	12901	12384	10084	9722	1	1	9196	9622	10474	10298	11155	12154	9966	9548	12311	11172	10637	10473	9289	9288	9783	10181	11146	11567	10088	9141	1	1	6598	9100	1	1	10639	9532	1	1	15049	13790	1	1	18252	21750	13341	12736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6146	12650	12266	1	1	1	1	8276	8380	1	1	7595	6576	1	1	1	1	1	1	1	1	7990	8443	6962	1
531.7256@0.8628733	28537	24819	26650	23408	24187	33596	23808	25371	21940	25715	24138	27100	32372	30804	21036	18556	21957	22025	23376	25910	26288	28849	25344	24181	28146	28942	24222	20107	25967	23653	40969	44149	45914	46535	43845	45843	43450	48343	41333	43767	41587	45119	42250	46443	40970	39069	39821	40404	45855	40561	23533	23283	40539	36817	49880	45315	43607	46864	42269	46989	46736	54957	43640	45900	64168	64180	63276	61821	53867	57606	44728	46816	38187	38720	64972	63514	64278	66484	52317	53436	43556	38994	40200	40848	54874	48789	37059	35383	37486	36879	38257	36287	25390	26193	37203	37035	37937	38747	59874	59075	36769	42215	43984	47332	52821	49823	72369	70260	47932	47384	53607	52055	52136	54561	25734	30854	31280	35876	22054	20846	31293	30992	32549	29899	29970	31297	29514	31092	32430	26572	33166	31799	28453	28484	29129	28432	33365	31865	27280	26940	31737	30079	28378	29712	36593	34682	34213	31361	41240	35535	30017	35023	33334	32805	15759	16371	34202	32026	18312	16599	29265	28446	33783	35774	12001	11862	16055	14423	11796	11189	23496	26509	9887	12041	15150	14357	21771	22675	15622	17587	15507	13227	17132	17239	11722	12655	11283	10356	13241	15730	11217	11679	13182	12212	15551	14483	9971	10596	17134	14447	11186	12778	25864	31748	11814	11736	9857	11208	12927	13140
708.0949@11.928999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	235821	304431	347383	290592	272387	286296	338302	312917	327190	480764	366593	322665	287539	300414	220588	141684	170211	212098	122898	80077	107824	66962	56639	135301	95966	143484	172614	137502	131685	146622	155160	137406	173453	132723	1	1	152698	151293	142407	154486	150424	1	141399	149339	195193	130629	167726	167533	214567	224035	131800	1	140441	226729	169629	150844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.044967	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7121	1	96757	110530	108244	110348	1	421357	122550	129431	1	128022	215121	1	216241	178455	1	38448	32719	1	202750	230005	45701	253813	218291	233030	213526	1	61154	1	191011	181194	214456	1	348812	187748	238368	184685	246935	179013	315622	305212	31125	213929	141787	201751	30019	340622	194403	187270	167812	162193	184649	167670	71442	234380	86194	83145	92876	94604	94647	129141	90088	92473	87908	89161	92079	100868	91397	96984	100256	81298	94078	26039	95467	98947	34513	93075	89325	102216	92235	93976	102329	128070	99141	96728	88637	92377	96536	89475	86151	80864	88607	96772	88472	84224	94367	103319	1	86046	39700	138120	97647	95029	93454	86757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Penicillamine	40628	40480	23757	29424	19661	21089	26846	24023	31202	30953	24386	23003	27050	24089	26961	23456	36448	33112	27176	23970	23215	26169	32690	34288	25463	27734	33904	34190	45114	43546	7677	8308	10189	8927	40289	36066	1	7167	65180	67704	8027	8932	1	1	8937	8449	49842	53963	8096	7090	10183	10047	71164	69726	1	9419	18392	21262	33402	31038	23204	23831	44772	44079	20969	16006	14740	14143	23332	19505	62004	61832	25048	25812	24671	25761	22501	23476	49107	59751	72774	60380	46467	52082	30047	25511	79129	83699	64259	75475	74756	75223	28164	27521	72366	71627	73446	72459	31006	31219	74892	72077	43186	45665	53081	54797	20865	23202	36608	39202	45839	44089	66944	58709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75292	72417	86553	84717	9299	8974	16827	13243	85825	97661	57885	55739	113972	114346	61790	63036	72769	67884	46488	52265	127713	121036	46796	48219	61108	68179	120369	118324	134206	136953	63495	69103	104735	107148	88201	88109	110525	103522	1	6371	115474	118760	182436	186618	100373	97045
459.9986@1.1844654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57476	54201	62995	66072	64392	69055	57926	57413	62422	65406	57780	56445	61062	63942	36010	36479	50282	49259	50060	46587	55446	54263	60476	54642	52831	52936	50065	50386	46968	50065	52762	52453	56300	55027	36937	43726	57028	59750	56884	58016	53535	50075	53925	57518	58387	58538	59014	62911	48476	47468	38968	39632	46348	47113	58007	64359	1	1	6981	7360	1	1	1	7207	1	1	1	1	9036	7759	6923	1	1	1	1	7018	1	1	1	1	1	1	8150	8187	1	1	1	1	7532	7490	1	1	8711	7626	1	1	1	1	1	1	1	1	8189	8205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
374.1943@4.199999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19838	19825	25562	38183	39361	39786	10937	11675	8463	11172	12671	12152	1	9691	11970	12542	32055	29692	37304	42640	17450	16551	40737	42417	15742	16976	23488	23687	1	1	39549	42771	20801	24379	1	21613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
524.0367@0.89299977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9134	7433	1	6439	35679	37289	1	1	1	1	1	1	44308	46960	1	1	1	1	1	1	1	7103	30652	32479	20175	24756	1	1	66832	71844	54393	54097	36593	40119	8809	8526	55235	52723	34129	33368	1	1	26494	26480	10201	7801	7945	7573	1	1	6720	6681	1	1	7510	9986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.9294@0.7973879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7967	11257	16769	16137	12837	16275	12666	11906	13255	13552	26602	23999	18106	20827	9893	15727	10304	7748	14828	23184	23809	28906	32976	29925	27541	31191	32321	38327	39159	36568	30313	33345	32900	32491	73229	60828	42995	37269	34392	41674	40984	40519	42530	38786	31292	36905	37392	38907	39409	40728	48769	46710	37111	41156	25474	27393	41847	42972	45046	50157	48059	46668	42637	38947	41715	44316	14491	41149	41220	41082	39784	43247	37244	38137	36376	39032	43697	42187	36835	37236	38424	37047	35400	30926	33247	35746	34667	31461	33897	34950	27597	32627	31903	30233	33816	34635	39665	38781	34666	33745	33879	30927	7864	33857	30769	30795	22479	23062	23157	21453	20113	22757	20195	20239	19563	20323	24870	23041	19003	22521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6689	1	1	1	1	1	1	1	1	1	1	1
Chlorfensulphide	105320	105022	104745	113471	65708	68582	124104	123639	104733	105405	69579	73134	84963	77430	84633	93348	99885	98790	87939	83695	53456	51851	135069	131729	77629	76714	74116	78170	120207	118568	31522	31773	27834	31810	30584	26052	28991	30932	23616	25151	33028	33848	31427	27878	28834	27924	30011	28643	30520	31192	14629	17811	28584	26883	30735	29540	27066	33481	35616	42943	36490	35164	38470	46126	32994	30240	34539	36419	35111	31773	48342	50360	41904	42081	34007	23834	33163	23242	31135	27154	32830	38349	31002	43415	29468	27382	54406	48666	55218	49969	50420	62208	54795	56163	71489	64895	58022	57076	29968	33675	68804	66545	53130	58172	47762	51449	29222	26065	49557	50945	44346	41646	69308	49357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
330.1678@7.9739995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27794	27894	29895	25678	1	1	1	26818	1	1	1	1	1	1	32038	26790	28854	37319	1	1	36989	27807	1	1	1	1	1	1	22752	26417	1	1	29869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
435.2445@10.758535	54627	50517	13992	18605	18535	17025	15401	11998	29834	27662	18702	18310	35998	23502	26853	24726	141017	40855	30526	17257	37660	49959	15982	19451	25846	17072	31709	27256	32717	29403	1	1	1	1	1	7285	1	1	44087	44041	8835	1	1	1	1	1	18954	18344	1	1	1	1	14991	12895	1	1	8565	9979	17158	16207	1	1	9515	1	1	1	1	1	1	1	16152	11565	1	1	1	1	18486	17165	10078	1	68812	18904	16224	11477	1	1	7815	1	11043	10779	20603	15915	1	1	16624	9455	24375	19150	1	1	9715	8431	1	1	8923	1	1	1	19350	17379	28856	28752	12682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19850	20367	27330	25837	1	1	1	1	1	1	33896	28834	1	1	11832	11408	33632	29113	1	7524	28029	25989	1	1	13033	11506	33675	29370	1	1	17188	16759	7052	7248	16014	14695	79432	26290	1	1	51796	44132	101893	134134	16007	13545
229.0245@0.9370163	13942	13768	12329	14765	17307	13742	9199	8359	14501	14898	15662	17568	13571	14670	13270	8259	15959	16207	9974	1	17132	15071	1	6680	19951	21755	15463	16907	8724	11185	30539	29789	25113	22068	27909	24347	32919	30101	17465	18466	30340	27608	29198	29261	22962	25911	20349	20156	38641	46783	49482	43649	27833	23481	49849	46635	30529	31244	65416	62180	55039	54799	60335	61089	70231	75383	68800	71248	67365	65412	61809	61499	56662	52586	88629	92179	76763	80513	57947	70399	36435	31468	57418	56870	101667	71764	40578	36108	40946	43381	58535	52927	66018	59574	66645	67256	75179	79330	86166	86489	70754	73340	75143	78064	81674	103085	118919	122729	59355	58622	80711	78993	112228	100485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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645.7811@0.85362995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	63764	67922	63194	69311	69927	55895	67497	72891	66406	65729	50669	49369	76211	68206	39385	38779	43106	50794	56658	68780	72568	73402	55089	55702	56582	48736	58560	54288	66014	63580	54943	54832	69689	60935	34223	35473	73222	68748	61435	62835	62130	53483	60336	58069	51698	57442	59508	57107	46833	44113	65170	54466	46773	54517	61547	60204	19835	17182	19689	19230	19470	18707	22445	21688	15825	16338	20995	21420	21376	23015	24673	21200	20195	21836	22009	21611	19021	20172	21770	22689	20813	24243	25232	22267	17432	18283	18450	18552	19464	19011	18644	17676	25750	23032	18620	19227	18317	18574	16304	17900	24242	23447	21599	21768	17678	18155	11081	11156	10821	11348	11291	10825	13383	12639	12908	16886	13117	13277	18101	17197	12186	11748	13246	14504	9398	11911	17324	17539	16812	16014	13946	15583	18086	15998	17045	19038	11488	13413	16244	17335	13383	12602	18333	19036	13124	15678	17544	16168	16774	17998	16619	15649
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- nullnullnull 7.475637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32622	57382	17665	18992	1	1	27915	36163	1	1	18021	28844	30791	1	27048	30159	24527	24667	36357	30457	26520	41721	24485	33208	17626	12955	45930	34299	1	1	11754	1	1	1	17435	8654	49270	1	23883	30678	35055	38060	44150	36156	67572	40803	39992	44962	59828	1	45549	64663	24081	50721	226089	27608	33935	33529	25527	25463	34837	39747	27417	23960	20244	18294	23648	29855	19232	22966	27982	31899	21346	21749	33900	27695	27754	73289	33507	36406	24116	29332	23027	26313	26898	24923	28441	27406	27926	20365	17180	18629	28130	28622	22269	24784	65213	44502	18272	16007	39427	25677	23481	22129	27413	25024	1	1	1	1	24648	17955	15358	13257	15875	12088	1	23583	22077	14148	1	1	1	1	1	1	17626	23824	29325	24718	1	1	1	1	1	1	1	1	19491	26054	1	1	22220	1	1	11267	1	1	1	33054	15231	16141
543.8573@0.84273833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101937	108517	98549	100217	117712	120301	85832	79028	85872	89034	74694	74984	104293	101143	74230	69608	74474	73528	88593	61534	65611	74050	84090	83436	97331	101349	68597	70219	80369	78293	96023	99850	100355	96244	93214	87498	111939	115547	117349	114145	83249	87825	126505	122663	112147	111918	104499	111478	67102	63664	103781	102153	94943	102480	105975	108600	38363	40616	38247	36411	43153	37832	44784	40263	26116	30260	45589	42791	43784	44743	48990	47730	37980	39775	48277	50065	47195	46438	44500	44297	48775	45566	50729	47787	41287	43427	34928	36629	37585	38600	29188	29335	44236	40233	32973	31825	48509	48978	23796	31504	55335	53716	44990	48981	29933	30819	32470	30456	29034	31533	36754	34464	18067	22547	56181	56768	34172	30413	36082	36633	33336	31613	31794	35908	24180	23968	50736	49915	75656	72258	33180	31402	55967	53811	63965	66420	32461	30753	57738	57161	29591	33501	49900	46516	24244	25288	49906	45865	57476	58711	50808	54807
540.0094@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18720	19222	1	1	1	1	1	1	35260	34760	1	1	1	1	1	1	1	1	16310	19261	11125	12114	1	1	66313	67963	33177	38957	25911	25945	1	1	35384	34460	18490	15596	1	1	13627	12018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
490.7389@0.87393993	33882	35046	34293	32537	27803	29054	32079	35168	38189	35212	30646	28811	30155	32599	26073	28748	36729	33505	30967	34626	22936	23686	36156	38029	29841	34865	34465	29793	33631	37331	13376	13351	17284	13239	16101	14506	9607	10921	14414	16252	15165	15495	12458	9973	11823	11773	11453	12920	7356	9237	1	1	14112	17189	8561	6901	18822	20228	41140	39771	48724	43344	40443	41038	44526	44677	44171	48385	36387	37414	34931	30104	27197	27151	44678	40359	45840	46918	45667	50015	35130	40031	45603	39092	34783	35053	31322	30149	26632	31659	32851	37422	29506	28788	31978	34725	39836	40308	43046	42722	45101	42670	46761	48675	44874	46703	34076	33619	45042	48707	47927	46457	52023	55273	15689	13331	11353	14816	14472	14987	17569	18075	10594	9304	18751	16146	16450	18685	20174	19802	15554	14521	15185	17544	17311	15981	18145	17891	16857	20597	21073	21661	16636	15756	14837	13230	14574	12595	10629	12355	18434	17318	12511	13179	15990	18262	9787	8148	22462	23805	17485	19795	12234	9195	1	1	1	1	6088	1	1	1	13522	13237	1	6804	11277	11508	1	1	8136	8306	1	1	15045	15072	17089	17139	1	6213	14795	13042	15694	17122	1	6565	16152	15783	1	1	15548	14163	1	9060	13959	12627	18763	16688	14335	13510
C3 H4 N2 O5 S nullnullnull 1.0132092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253159	289523	240113	137057	123006	149283	151621	172061	268170	283678	229579	186933	164083	117837	289076	268932	354345	367924	382325	429896	261359	104419	293205	142035	279869	206860	259830	243169	75070	119864	116167	109419	211359	203821	361019	239314	201363	178530	213626	185984	276124	293071	248174	208298	281382	304361	369388	301599	359062	352836	228405	291214	329878	263466	289521	321709	305598	296541	335628	316810	321889	322199	366799	378414	332111	343585	310644	335148	304566	275702	245177	257352	326862	322383	263866	260582	210057	246944	358558	340229	287517	270661	348866	369319	232566	245194	390574	321318	274331	328960	375261	185902	340328	350614	337647	289934	224002	198803	308351	318394	314759	301686	265245	282821	296666	294948	210236	175957	171985	142228	109603	166433	183923	195065	167211	126251	317326	222235	290087	150224	293245	145407	315964	187880	189002	171822	231752	150018	152236	139192	203812	196861	171946	152107	158350	252064	164567	171380	166335	125189	130181	150806	413077	204233	186941	203527	184825	190210	252866	357618	154640	143601
C19 H21 N7 O18 nullnullnull 11.538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	163161	83965	173880	73188	38386	66864	92208	95243	153088	39863	147428	67987	134461	52279	53562	50497	65336	46974	53007	48961	42580	42127	1	1	51539	36208	37591	42792	44712	46309	50408	47327	108351	49692	56188	53121	35476	50787	39680	57263	47952	45985	39369	45708	47091	52508	1	54050	53444	52686	40894	45295	66696	47656	1	65197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
593.7822@0.8582015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103068	92364	79979	76009	111944	96222	79252	71537	82388	90682	56320	61641	94660	93438	58323	53876	72518	74162	81941	89389	80799	73856	72355	77941	79596	93912	57522	62875	66429	84969	63828	67971	84581	77758	55974	55119	88628	79858	90211	103879	70970	77218	96414	88531	77945	85877	91681	79165	85653	68738	75416	81135	85245	85910	107103	95131	10057	10416	11984	10220	9290	9306	8230	12343	8213	6286	6894	11309	8965	9953	7809	5947	13500	12015	10088	10767	7784	8668	11053	6182	9871	10078	8339	7933	12888	7472	8473	9299	7893	8415	9162	9017	9755	9391	6866	9505	9839	9839	7579	5274	11340	10728	11495	9475	8841	8462	1	5621	1	5725	1	6015	1	1	8472	8503	1	7432	8282	1	5926	8849	6444	6333	6100	1	8800	8674	12688	10378	1	1	10579	11447	12622	10030	6394	6159	10243	7577	6418	7444	10311	7924	1	1	10270	9464	11705	12848	8143	8175
C14 H27 N8 O4 S3	1	1	8833	10262	1	1	9423	7888	12711	12783	1	1	1	1	8733	1	8896	1	8885	1	1	1	10594	9986	1	1	1	1	14436	12056	1	1	9807	8474	11693	13175	1	1	27211	25378	6313	8209	1	1	9695	8831	11322	11890	1	1	1	1	24523	20309	1	1	23977	24298	29187	28246	19952	19720	20273	20747	9649	10331	8310	8701	1	1	26926	27166	13451	13113	16803	13163	14055	11793	26732	31346	19415	19431	24499	24585	1	1	63608	59281	58268	59913	24727	23288	9639	13713	33186	32634	38063	42249	29057	26354	52591	53931	21980	20861	23881	23419	1	1	55988	56036	25596	28859	24470	19916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.7922@0.8730008	22440	26024	23174	25390	19810	18377	31985	22655	28337	26336	18865	28986	20580	22295	13219	16452	15717	23457	23510	22129	16612	25869	20077	27629	23635	25951	21217	18740	21683	24736	33552	32065	39764	38494	34115	34122	35365	38174	30030	28142	36999	32794	25002	29996	21720	21071	27361	29473	29859	28672	15314	16543	31407	29008	40051	36834	43700	47461	48030	48954	46418	45450	49511	51875	48830	51269	59921	56587	31880	38053	74754	70951	33358	26373	55223	51023	59144	48526	49929	40397	45241	43482	49257	46451	37217	41923	65237	62128	52525	53719	55038	51722	22464	23549	47620	54518	47211	44669	43538	51161	41857	41758	46478	50321	39653	48321	41005	50255	43140	43813	48950	51176	50026	61117	38863	38498	43075	42364	31068	26677	47508	44790	38088	35270	44433	43234	42541	34789	35957	41526	37484	37573	37267	30848	41064	37820	46436	43276	39579	41535	49815	45995	35550	38460	48338	47518	38730	39967	40580	35111	46625	40263	40836	37922	21483	28751	33701	36435	37515	36486	39504	39668	33298	34052	17880	16951	21018	20087	12236	12643	27390	29855	21051	17772	23918	24467	26516	27761	21591	18639	17779	23517	22099	19954	15714	19032	23840	19521	23781	26853	14449	17213	25125	21337	22031	19071	21793	18415	21230	22269	20823	16636	24670	23872	19835	20545	15727	17578	18922	17267
C7 H9 N2 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35930	31888	42226	44882	56469	56858	32509	32801	34502	36039	31347	34010	74891	64567	22100	23083	34557	30342	32305	34228	47465	46598	73355	75075	59684	65770	34176	32580	77481	75793	61361	70087	63286	71308	21150	32548	85627	84058	73689	83379	39870	36603	71197	79175	50093	53255	52973	51340	27615	24365	49215	57403	48274	47427	79198	61838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Quinoclamin	125062	120108	171738	169749	99623	92904	194217	174032	164897	166122	119046	106194	139765	153447	150781	142293	127571	122365	140550	144818	91578	78088	217559	227805	151127	151614	122513	122172	184263	179576	6514	6719	15224	14409	1	1	17278	27377	40977	35796	8613	7422	1	1	6171	7185	20832	20183	1	1	9242	8114	35068	37423	1	1	9024	9754	21856	26709	21651	22019	61144	64899	18413	9268	20495	14014	17291	16732	69720	69416	14210	11684	17971	16748	13208	15452	25745	23287	34002	32986	30901	30560	19004	24381	67975	73721	56741	55541	30456	33070	10125	11428	69248	65377	38137	45809	23677	26675	61019	67988	18367	19677	27367	26637	16071	17072	19951	16756	21918	22991	27957	20671	31597	31154	48118	47380	24328	22258	29475	34251	12814	16021	35679	39493	36602	36067	42884	54655	34024	40343	56613	60701	40598	39002	40551	33892	58100	46548	56438	54449	48535	46955	21645	30189	50011	37053	17207	18687	46245	43317	21258	25401	41905	39507	22240	23374	68244	48826	53024	52893	21208	24467	20991	16084	20380	13045	17892	19676	14918	11940	29396	29077	22842	18473	30230	33798	23695	21879	24444	19841	16385	17825	37478	28052	47436	44685	17922	22281	40163	39620	39543	40143	24278	21213	37329	36950	21441	16046	27665	34035	17351	19835	33249	29432	40527	46195	34639	36637
956.9787@1.5492041	1	1	1	1	1	79121	1	1	1	1	1	1	1	1	1	1	324094	1	1	43573	1	1	7921	61854	40814	80305	72118	1	1	1	1	1	1	1	50186	1	1	1	1	44693	40145	1	1	77157	1	1	1	248342	1	1	1	1	29425	27264	53843	353760	1	1	1	1	1	19894	1	27727	1	1	1	1	1	1	1	1	54797	33127	1	1	35614	1	91248	1	1	1	26419	1	1	59844	30123	35704	1	59201	38143	19666	1	49316	1	1	45032	1	37005	28264	1	22663	37847	36306	27688	1035178	1	237681	139320	1	1	54894	65430	36577	114878	38778	32852	31708	52240	9480	36591	79248	43649	1	67631	73005	55745	1	1	35185	84384	99373	61282	1	1	1	1	60175	1	1	1	1	1	1	1	1	1	1	1	1	1	34671	1	1	1	1	1	1	25844	1	1	1	1	1	1	44814	20321	15743	20361	12757	85854	1	11593	13564	8178	59461	1	1	10429	12350	13808	14283	16963	1	1	1	1	1	9571	9580	14451	9617	58806	1	15246	1	30269	1	1	1	1	1	12084	18512	13492	1	16724	1	32965	17856
116.0284@1.2579999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107773	99540	84519	80135	109414	103861	81340	70971	83825	96543	76078	85292	249333	266217	73633	65044	115696	117329	114831	118525	79315	66064	159461	133898	112089	176873	94722	93771	1	209176	97075	100706	244246	224297	69425	78184	112356	1	126982	206939	85280	91100	186625	100102	119173	118308	152047	115754	93892	96639	102714	87612	89615	116123	176259	130939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Apigenin 7,4'-diglucuronide nullnullnull 11.541994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84294	75045	78686	55289	140438	192836	106012	115100	233312	87755	159343	55004	154803	60286	67118	44779	42194	53394	57411	69337	25269	63577	104327	49109	54464	51025	73428	57637	50824	97730	50254	48159	79129	59034	40831	72183	55448	45185	70229	73836	24710	25798	57276	108043	86370	46780	83454	60879	92869	45486	97957	55945	36363	66718	203618	40864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.8108@0.85937726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61180	56154	43577	46872	61350	63355	50231	49148	54198	52930	39453	40618	78039	75288	28924	30807	47098	45121	51546	58580	47264	53464	55991	56140	60341	67892	42875	32808	69364	54619	55555	53925	52139	55418	32323	23077	56469	59296	56865	60149	41017	46326	53518	58638	42404	53920	53498	49204	51516	46454	39912	41637	47269	48765	63455	55629	10627	12089	14470	16915	11532	10328	18672	11891	7572	8659	15989	13977	11137	12791	16341	15594	16468	11678	15793	15915	12913	13804	13671	14761	15073	14755	18964	19408	14622	13932	10210	11816	11175	10752	11541	10715	16718	11519	12733	11916	8924	13048	6172	10830	13458	14703	16454	17482	8445	8302	5893	5860	6260	7926	7288	5807	6511	7661	9499	8337	7115	7801	10406	10387	1	7119	7109	5710	5890	7403	5762	8887	9906	10725	6878	5884	9021	9752	11884	12615	7013	1	9353	10687	6231	1	10626	5879	8594	7350	7549	9155	8592	7814	9936	10700
316.0524@0.92699957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6195	5448	1	1287587	17362	885472	1482663	1466311	1444599	1448149	1385267	1429937	19321	540360	2144383	2121193	1	2213518	1641581	921818	662463	743180	8660	11191	18247	13678	1320278	1	37405	1	23127	25595	13733	16309	1	1	27357	21884	21787	23460	1	2261283	18993	23938	1	1945658	9260	1938413	2310386	2277074	12894	10372	10710	2070779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
203.9204@0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66632	67228	67220	59415	88966	88812	59275	59219	62612	65842	54165	49432	130695	119598	39021	39053	46387	47185	56690	64268	74859	73803	107338	89480	98690	90173	52787	43999	112332	110467	85849	95049	88279	85066	44757	42529	93562	90479	75127	83265	46288	50164	72766	72559	51477	56649	63428	63101	40578	42951	52896	61470	57829	56159	61663	67483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
479.8338@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19389	26246	23470	20458	62909	60696	18125	15750	19277	17752	11159	8216	73742	68149	7331	10890	10049	12400	17284	16631	29892	20531	63327	63102	49356	52186	12286	12687	67232	67408	57307	63282	63067	65417	26068	28745	66031	62535	60992	59772	19766	15237	46141	46260	22995	24131	22471	24336	8154	8244	20331	22003	18478	16889	30698	25287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H2 N2 O13 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61282	59426	54099	57037	61569	58995	49023	45525	45598	47134	29721	31388	62517	62232	46349	43071	40183	42933	50878	38878	44902	47054	58040	56823	62024	62803	30388	29706	54192	51871	62048	56675	57728	59316	33838	37553	70526	68360	70057	77743	55225	51977	72531	71160	68033	73047	62572	62794	26741	27345	60127	60400	60142	59525	82285	69248	16765	17067	15918	13833	21217	19363	19568	19660	9057	6760	20159	20131	20093	20079	21380	22775	16018	18119	22108	22248	18317	18798	20631	16909	20182	17765	22155	22604	18935	17258	14412	16239	14639	15078	9928	9629	18858	21647	12483	11534	23440	24033	9798	9541	29876	31905	22725	22041	11414	10361	1	1	1	1	1	1	1	1	13929	12976	1	1	1	1	1	1	1	1	1	1	10340	10725	22198	22567	1	1	9939	11600	16378	15078	1	1	15454	14136	1	1	11228	10516	1	1	9961	11317	12324	12537	13748	12499
C18 H14 O21 nullnullnull 10.144999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27752	29276	28715	26777	30889	26734	30265	31698	26149	27845	23357	26515	31253	30056	23306	61642	23157	24397	56931	22886	79658	20833	18473	23571	19230	53959	24131	26587	23313	23940	25598	25120	22498	23439	18169	84597	22206	25930	26105	24371	27092	24243	23283	25494	27651	26337	25297	58794	26920	25807	21949	24222	27743	25442	466337	27382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
118.0064@0.9395097	66319	69933	62632	61760	70111	64474	58717	54601	70794	77623	64320	63967	72771	64850	52891	57131	87984	76681	65295	67846	68113	60607	47455	43653	65148	62217	56717	56936	43247	45983	77422	65366	80500	84660	81479	76219	85515	87713	69367	62804	79630	79622	67434	61840	57706	58433	68353	66060	77195	77938	50879	62410	63007	64392	97255	96087	77894	85653	88045	85438	81086	76620	92097	89209	89704	85730	94920	89610	81002	75357	84128	82926	79215	69697	109673	99252	102440	102374	83050	86228	58244	54106	77248	75576	80511	73301	55759	51606	64435	65429	76649	70861	66245	66166	75274	70023	72474	78620	77276	79023	70542	71315	76925	78935	89248	74984	93820	92657	60235	62815	80335	80327	91512	88135	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0099@1.1112775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73225	76981	103127	53289	222396	228083	918047	919154	37351	42058	92653	98162	193649	317204	34586	39162	106763	108911	941264	925527	792573	819335	232258	234817	656620	668283	792894	780765	225343	196093	266454	296767	105009	232726	28169	80470	112408	276134	549187	557240	482575	530619	664094	649292	282406	277914	281661	287551	69396	78150	100749	108413	77490	73201	86743	73557	8719	13991	29584	21489	1	59682	27862	1	13190	44227	27467	12253	9913	19471	18600	10267	24605	13070	18380	16952	24187	1	19719	17990	10576	1	15528	11458	1	1	12438	22737	11494	11514	28547	13024	15663	20291	17875	10318	31812	1	1	14798	12340	9516	24312	9399	16138	21464	14093	10540	17578	17906	19913	18845	13596	8253	31438	29731	24657	25258	29451	26111	15460	16806	29207	26277	10020	10004	43416	40724	46469	45707	19812	20970	41448	43079	42319	36480	11612	15081	36694	34612	12566	12624	39276	34767	19656	18167	30880	31075	64274	63739	38612	36281
333.8553@0.8605446	72603	68815	74979	70808	65177	67092	73434	76835	78353	78182	66670	63259	71318	69232	64890	64477	74960	69394	69344	74986	69171	59914	71711	69655	66015	71494	69901	67686	75785	78710	55673	54286	60032	64367	61714	59808	61351	58812	55194	48759	59171	53855	54547	52104	59133	56488	54223	54831	64374	62775	25509	30186	46133	53780	56706	56127	58721	58467	60083	67302	60447	63773	74690	71978	67172	62275	62329	66984	59122	63730	72913	69183	49328	43009	55627	60797	64001	70614	65397	68215	64790	65981	62366	70833	55471	53565	64696	57703	57033	54559	60021	57241	52507	49049	66441	65521	60345	64087	54964	58441	71464	63310	65794	63590	61297	63711	60592	55727	56960	58047	58101	58475	74013	66828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	151494	170628	92493	191405	96748	157595	124665	129523	133220	141054	241662	195310	118612	129978	49805	76747	96174	51125	60854	47330	182899	86368	94649	66819	64159	79733	146365	97147	143534	56718	55995	79220	51181	48575	73018	74854	58075	344602	65911	72102	104194	51905	124267	92952	55249	149478	105148	95696	110546	108475	88594	117439	145652	103634	97233	95121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
261.0233@0.9421955	16433	18930	15565	17627	13271	12610	16253	17044	17573	14543	15385	12640	14822	13604	13999	13725	17424	12854	12880	13231	11048	10820	16384	21373	14166	11217	13526	15847	16247	12755	1	1	1	1	1	1	1	1	1	1	1	1	6627	7735	1	1	7809	9939	1	1	1	1	14797	11354	1	1	12229	11562	32809	37402	36340	37250	203701	197927	21016	17169	15927	16329	13353	12377	264973	260550	24628	20468	13303	11041	20569	14462	26954	25639	166989	174262	118663	124545	11505	11237	385593	377722	273270	289509	235296	244673	52337	62372	312197	307216	217087	214055	20072	21085	152346	153163	46633	51400	39262	42633	1	1	38344	40795	36810	30504	46488	47363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4R-hydroxy-octanoic acid	198936	450325	190043	214772	204503	452504	181443	187490	190225	156668	186308	162608	161207	181950	185608	167883	58566	212724	157029	187698	160302	194215	176423	198929	205857	365284	118873	208822	55496	227409	66578	195167	189587	195311	177197	56047	126559	451970	451440	198015	199877	74393	413257	162994	196993	391484	334517	214089	494124	224195	226009	186417	204245	79873	200646	85582	228998	201093	122251	305053	132770	130414	107596	125661	34990	125788	109225	123232	112244	114525	113457	112656	237389	127183	140063	312661	277772	135502	134175	134239	107219	129659	153661	120461	135861	125826	113125	301519	119236	128421	114623	125656	93130	144609	167966	172504	163838	321375	79571	421527	165755	158880	99405	151385	36605	167068	426057	155476	171957	161792	164714	407028	1	169411	178676	134539	446438	175811	178260	88589	144784	184948	176710	90363	174915	161503	191686	198464	178060	189649	458855	186436	200681	173665	158269	174841	74023	169241	193191	181168	184621	454172	153199	160540	203694	397001	177867	167385	190566	170725	179333	469217	176889	498961	488930	34592	159052	183189	127945	169371	175758	433379	122995	199040	204268	221513	150648	385105	226155	212431	216488	144277	201119	215480	182686	362153	216996	211065	173182	95184	174080	190829	97276	187753	194144	90009	480603	202427	181209	187026	201213	186293	218421	449060	185058	463298	83429	209332	487277	80177	197240	212236	51567	482863	130154	196996	201841	60591	490951	467643
C11 Cl O6 S2	40029	42513	40252	39499	36051	34781	42470	39658	38760	38548	36114	31727	40389	38525	36467	37269	41154	41039	37934	38002	35881	31663	37073	37832	34646	39379	34143	36612	40351	41391	23791	23036	27883	26394	22444	20498	21425	19661	21424	20443	26580	27524	21368	20765	27170	24554	24744	24226	20427	14197	13690	12217	24892	26146	8347	9383	37327	34314	122260	124523	123718	125049	99160	88515	132728	128754	124567	133094	115039	107355	81914	80439	139061	139016	156429	154026	136663	107385	100732	99744	76815	75324	87914	87904	99712	109382	57012	53447	72783	68042	78637	78747	89283	103425	76236	89789	97846	105475	158815	156708	113078	108763	152255	143340	146620	143928	146930	150728	144789	144865	149012	149340	195694	157109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.0957@7.643003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15919	12454	33841	31672	32385	37095	15800	10998	11089	11704	18987	18747	69516	71928	1	20710	13819	14034	1	15944	63633	45448	131916	150213	170956	166797	23471	28436	122012	120633	108629	110680	79732	79876	21499	33571	146155	146697	183873	194550	30448	26806	167531	150392	67666	63135	73572	73248	21537	19469	45707	45774	62213	50284	38365	63505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H11 Cl N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62769	61420	49484	59944	75857	81305	61848	66390	65733	68471	51475	50658	70005	74869	41887	51143	67323	67752	69803	69020	60323	52677	58669	63918	76520	83108	52074	57821	295045	305107	75559	79060	69226	60644	28923	33133	147640	143893	76770	72342	65833	60009	86754	88649	41939	43641	45690	54058	45463	46807	42928	51938	44992	45658	90614	69036	33941	32889	36120	38904	42675	45349	46217	40171	31488	31520	36354	37052	33802	36025	25334	25400	40292	37244	26463	29689	26922	29918	43553	44943	33775	34085	47038	46092	31269	31736	45923	47678	31686	35799	42327	42172	42425	41414	33142	35577	21621	20910	28314	29100	47560	49028	31061	29499	29721	27267	23312	22462	26437	23749	24574	21296	31244	29935	24896	26134	29688	26805	25165	21893	20208	25131	29984	28550	26970	22809	22952	31592	34880	38056	27238	30849	26435	23095	40797	43225	26208	25186	32857	32145	26695	24155	34090	30511	19316	19815	28146	26037	27440	22481	24479	24255
103.9685@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1538683	1458272	1516822	1630407	1301952	1355669	1639354	1655723	1742532	1785407	1629466	1692204	1185044	1224733	38570	1039278	1530877	1561152	1705325	2042052	1968817	2023776	1442797	1389047	1517048	1490624	1798854	1683012	997701	981253	1045322	1102255	1123576	1099849	1187806	1086264	1081232	1087621	1111201	1220495	1534405	1541480	1261074	1169366	1340118	1330371	1379487	1428536	1634533	1621736	1314697	1362992	1441715	1443527	1475689	1530005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H N3 O4 S	35758	30594	29220	33770	20176	23050	30922	31111	30642	32012	22255	21196	31398	26287	24930	27306	31673	32247	25903	28777	16698	17487	31033	37552	25030	26465	25984	23531	33965	31448	10028	11374	11201	12759	8571	10790	11470	10219	11371	13163	12311	14776	9649	12909	10139	11644	11924	12588	9189	8011	11576	10228	15557	16495	1	1	20895	20377	43996	43650	36695	37161	57787	54821	32049	31417	33911	29420	29276	29799	55085	62041	30561	29225	29535	28371	31146	31165	38694	40685	69979	66550	60088	56071	24722	27997	70055	71823	66817	63427	52718	52478	35649	38670	52844	55851	53445	63428	31732	32772	52506	51780	41132	45425	43554	42775	22673	23374	43810	44737	40850	43470	53604	51154	15397	13001	12525	13528	14839	17954	16317	17248	9304	10335	18833	18491	17126	17845	19449	17266	15647	15931	15081	18733	18154	17111	14832	16712	17318	15280	18178	14777	16905	14178	11764	12477	13800	13142	9172	8216	17188	16555	11891	12076	19646	18874	10339	10241	22812	20932	17540	19152	11225	12681	1	1	6602	1	7610	6967	1	1	11453	13899	7328	6089	9733	11151	1	1	8623	6986	1	1	12688	12233	18898	18357	1	6581	11479	11754	15105	14041	1	1	12904	14673	1	1	15768	12732	6737	1	12528	11862	15682	16182	14573	12462
C3 H4 N2 O4 S	13010	13970	13351	12701	13100	11428	9981	9344	14222	17077	13948	13666	16567	13299	7159	1	24425	15253	12745	10720	11845	15477	1	1	10886	12660	9285	8001	1	1	63900	68391	66093	72616	84494	87285	97049	98259	43083	40577	59710	59506	90848	91567	20275	21930	34040	33634	133324	131027	110317	100530	50825	51371	165320	158710	75229	68863	29388	23454	18070	18484	21099	22506	20424	21619	22927	24016	17841	18997	19933	23069	20538	17207	40802	38560	42859	36085	14186	17738	7969	1	22962	22471	20994	22542	27450	25733	16670	22463	26986	28547	10480	18310	29108	32007	26878	29826	37294	34554	29945	29791	31027	28965	34844	34501	46928	46914	24707	25720	36264	36068	37570	39588	51988	50658	63183	64647	53761	53582	59082	62077	75390	79451	30137	48632	53369	52357	36716	35776	54699	53768	26733	29671	37375	39842	62327	62324	41177	42130	59330	60091	37132	36344	74556	72902	50755	54839	74412	68273	53218	56280	64380	58937	13908	13256	58808	62293	41836	37604	30377	36495	42000	42816	10206	10916	15188	12647	14491	14950	27823	29770	12666	11617	19847	18380	13490	16429	15563	15876	13103	10738	21839	20415	8306	9972	15728	17289	17510	16857	8530	7296	22096	21842	18431	14362	14254	11715	17674	18816	18282	13583	28644	29445	10752	12408	9145	9449	9992	8405
589.7475@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84331	73410	89015	84171	96832	96430	79204	83078	90199	89856	67229	67823	111478	91922	53701	52353	77499	71125	82865	79305	83092	87549	71998	75376	83237	92411	51726	66608	95631	81814	87919	83350	88638	82508	64908	60237	101017	94191	101515	98783	87910	80559	98974	95048	86803	74510	88748	89420	63619	62016	88382	86195	85826	80108	93098	98204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
803.5963@14.032707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12390	209614	96773	156076	37730	14028	449833	87009	1	68721	14411	569193	1	29248	1	42712	53391	1	1	108348	28312	87551	51737	44772	620834	8385	15540	26005	10115	1	19071	124430	456717	13461	12071	12713	1	54398	85741	116484	98967	61742	26896	230109	1	1	392166	29561	203010	1	1	56917	75543	31206	1	1	231862	72498	1	27452	59620	28055	1	1	72461	1	58949	1	12050	15908	19808	1	1	26112	9852	1	1	28251	12020	46598	1	37945	184499	47023	17626	1	1	13381	1	1	18858	20358	26353	70250	42479	359967	282327	48439	18166	61121	179987	1	1	22862	30594	45147	436644	12440	55226	39721	35254	15895	91162	42586	17997	163520	11888	48108	56486	53730	14627	19792	16919	16119	47802	28530	69059	372102	72648	19650	55949	85803	10989	41356	1	562651	26372
11-dodecen-1-ol	1	1	578587	223740	267374	269858	202110	241544	1	185378	163827	240396	60737	26691	138408	140594	120618	65935	85346	397832	148815	105036	195391	20217	1	621886	296000	231915	1	496421	270211	233274	405558	216105	218538	190360	389617	494235	213861	551837	173709	590883	218055	226890	221177	259281	218137	449619	448437	279735	315962	289287	18107	461940	257586	249775	439751	608105	79338	177158	118182	333089	119010	112036	174464	89001	159741	345920	187223	173994	166555	141367	111939	163128	308360	141268	158080	226217	204106	255559	166327	67782	215493	219637	404152	194066	405896	194162	169090	156815	205358	124284	81764	133044	260483	207708	110986	207657	213508	198461	241659	217159	207860	180885	19759	195935	441943	232169	324669	211212	218270	185897	6624768	202836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.8819@0.8479997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43431	37167	35456	38633	37314	40727	45054	38941	36359	37143	39457	36549	37497	40669	35650	34775	40700	38651	36383	33615	27221	29983	34325	37588	33723	37061	34403	33396	48697	45390	37456	41345	35083	36964	25442	34258	46907	42077	41093	45375	49888	39704	40261	42613	43459	46890	45498	41546	43960	42484	44846	44323	49059	48816	54812	52783	34441	32788	33647	36445	28696	24462	37625	36360	26639	31999	37446	37980	31372	30505	32059	34658	36822	31373	35157	32913	34565	34515	38770	37093	37925	34616	32211	36993	31319	30953	37064	38323	34655	31126	35450	33774	34612	37099	31265	35952	27238	24680	38336	32756	26783	28285	35604	36587	34702	35446	18393	17546	21784	16380	20073	16722	22620	27025	16124	17397	19660	22426	27053	26818	17338	19074	17923	14738	21166	19173	14175	16198	17954	17080	25207	21529	15401	15985	14474	18733	22071	21032	14288	17159	23182	20568	19004	14835	26113	28684	17638	18581	15609	16732	19954	21398
3-Phosphoadenylylselenate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15157	12679	15349	11619	42438	45670	8796	1	9542	9943	16741	10702	63713	66944	10370	9130	11043	14958	10097	9702	6882	8192	33753	36364	28977	35924	12421	10181	86137	85700	69182	70875	84272	84465	20687	28638	94552	92591	78874	79597	11378	11877	56265	55283	16816	18104	22339	21979	13516	18401	17852	18208	15358	15755	27343	22881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8435542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21526	18241	21215	22968	13569	16839	19120	22160	21361	23328	19551	21557	14295	10753	46595	44702	37064	38353	26578	7091	1	9011	10193	8198	9528	11788	17754	22587	11127	11410	18096	15932	14859	19637	44071	42548	26382	21910	28237	28175	51248	45499	35830	32883	47283	49029	41394	46541	34908	37908	38559	42002	42045	39961	72643	45887	8271	8601	9331	5879	1	6889	1	9063	6839	7933	8011	7708	6746	8813	9178	6537	9806	8266	9676	9723	8626	9782	11060	8373	9009	8396	8144	10176	8449	9971	1	9002	1	8648	1	11046	6257	8733	10044	1	7192	1	8939	1	9029	1	10422	8201	7591	7104	1	1	1	1	1	1	1	5554	1	1	1	1	7445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6874	1	1	1	1	6991	5994	1	1	1	1	1	1
1001.1966@10.762177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7175	1	10511	9777	19428	12710	1	1	7026	7611	1	1	14112	10079	1	1	8013	1	6885	1	15024	12680	75846	46139	25021	16010	10827	9319	11205	9238	18871	18894	25535	18289	1	1	23543	14021	25917	17789	12619	10248	25843	20189	12740	9501	32636	11088	1	1	17362	12304	11942	12914	10842	11853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7807	8015	1	1	1	1	1	1	1	1	15741	18361	12934	13485	1	1	1	1	14362	9941	38808	28309	1	1	10957	9118	21931	15481	10514	9764	16144	13845	1	1	12833	10452	12536	14046	8906	9307	10838	11285	16167	10977	14071	13177	41494	12546	1	1	23158	16612	42544	52635	14810	11386
406.2373@10.59015	44191	39220	22830	18941	16534	39662	25505	20541	38619	25857	25154	29213	53350	52959	53651	50491	85729	47089	44164	40229	26883	27967	28991	27107	20698	21517	18840	13376	21580	25367	1	1	15470	12593	12553	1	11997	13998	20840	21461	26776	29369	1	19785	1	1	25220	25298	1	1	1	1	16938	36219	1	1	11573	25773	1	1	1	14062	1	1	1	1	1	1	1	1	10690	8435	41695	1	10502	18975	31342	14273	18051	16699	53922	38702	39483	31837	16763	16855	7542	1	21630	10953	24251	10856	1	1	30461	25474	35698	31690	17334	20527	27086	22609	20277	14249	24852	15603	8265	9008	16429	12388	10750	11904	36077	22638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16238	25237	1	1	1	1	1	1	1	1	1	22941	7903	9917	1	1	1	1	16017	18798	13337	10463	22036	25542	1	1	20379	11336	1	1	20970	18893	46207	27999	9797	11802	11544	32881	20644	21008	13633	9083	22209	21237	1	1	31704	18050	1	1	16839	15043	10513	13798	25231	20713
C29 H15 N5 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	116879	66960	106764	73766	55551	115436	57739	71311	72151	67492	55411	71224	94641	106066	48380	20738	53015	30117	25266	25313	22194	42723	1	1	24179	45870	14771	39478	24786	77397	38853	41706	25140	37825	32967	29253	22044	28580	34630	24987	26249	19971	35790	42929	26383	54734	1	49239	41193	27690	22644	37036	38849	41483	1	27276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1741@10.001004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22678	26464	37169	35541	1	1	1	1	1	1	61003	58421	1	1	1	1	1	1	33589	31871	128339	123265	124842	126109	18089	1	76496	77541	76250	76595	64960	69799	21549	24729	104559	100659	106902	112564	17193	1	89025	89423	34214	33355	50507	47110	1	1	34120	37485	28827	24437	24010	38934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
684.9135@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22421	21136	19812	26045	53984	51372	16946	19301	18515	19185	18776	18400	69836	70965	23973	18880	21346	24573	18263	15591	12867	15199	42526	44065	40275	47217	18380	19157	86341	92649	79369	83517	85873	92578	29413	44385	99488	106468	87186	93814	24426	24531	72114	72755	30026	31294	33862	35546	25439	24779	35405	28810	33157	26215	45962	38578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
458.8088@0.87054265	41255	37412	40254	38754	29041	27413	40604	37325	37016	40541	26407	26119	33722	33684	29335	26811	41956	36065	29466	34418	25630	20270	34384	31602	27066	29552	30744	34442	39597	30927	12648	10085	12675	16561	14203	11916	10935	11251	8615	8775	20730	13796	9127	8245	8198	7758	9886	11166	8398	7361	1	1	10581	9094	14285	12292	18922	19719	59335	54926	49506	54322	60076	63700	45591	50792	51573	53234	42184	42604	78793	81523	28942	28009	44649	43863	54950	53741	60807	57305	66769	61734	65096	59652	46068	37517	48710	54527	54273	50607	50039	52593	31893	34687	57445	59317	69505	60086	49243	43537	63505	62550	53696	56194	51162	53216	40254	41225	51519	46035	52050	52561	64782	57113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.0567@0.8502621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	423768	406676	443325	437445	1014054	973521	251031	248260	376157	386283	661017	638880	1514973	1552255	332717	317196	383530	380979	274098	319437	376660	397274	1295232	1309815	1104462	1131983	768215	774846	1689412	1734539	1358966	1425174	1858366	1872482	554437	638660	1839625	1790743	1595457	1687303	328056	322234	1229996	1188010	9852	432320	569987	11129	603070	596731	561225	548313	477073	469942	25066	591463	92382	95083	112766	115518	77602	79359	148811	145701	54874	52823	104609	101583	120272	131778	110858	100242	91345	92210	115818	113061	93387	95357	106940	111375	152287	158272	107547	110157	140887	136746	99908	99238	117326	116737	64817	66270	96837	96904	63188	71699	100425	102398	58491	59074	113041	115425	109755	95763	58878	63771	80264	81657	50397	51822	45167	49020	29711	33476	133891	132446	71516	69319	59410	64579	77536	77323	108874	109056	54683	58202	119637	119728	189803	192560	109190	110639	124464	123084	127907	139525	79192	82409	129651	125317	53975	52555	134126	136773	39181	40004	121596	119538	118691	119333	123142	122400
C6 H4 N O2 S3 nullnullnull 1.136873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	119578	123921	112596	140462	1	1	132089	132101	110021	104722	129130	1	1	1	260325	461742	141157	1	92916	1	1	74688	1	1	34692	49984	1	1	1	9179	1	1	1	1	731704	121764	1	20915	90850	32914	60998	1	1	1	1	1	1	1	85394	1	1	26032	77271	173598	1	94503	97129	63998	1	38585	1	52255	1	29887	1	37175	30609	31664	54768	1	1	1	39353	75006	1	38686	109853	108920	53507	126485	40106	38875	33646	36589	46366	49676	1	1	1	58156	47789	82385	45155	41878	53817	52427	87722	35143	1	1	49021	47196	37455	41026	66017	72651	72433	1	47905	1	97417	1	1	114883	61460	54775	49564	53377	57782	1	92874	1	1	1	60606	1	1	70921	58033	69277	1	1	68389	58787	73462	84630	1	124819	71406	74222	113583	1	51584	129565	1	104003	56522	108281	45548	1	110559	92139
2-Iodophenol nullnullnull 1.1383188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91756	94962	89961	107936	1	56508	109729	121176	100468	78972	107051	42361	26441	24416	187056	425752	105130	1	65661	63336	1	1	1	1	33156	1	1	54714	7089	1	53806	26757	1	19190	560573	1	24931	1	73264	1	48081	57966	31526	29112	57720	57388	45078	44253	70848	55187	50123	57606	61720	144612	1	70126	86890	66838	24252	30212	48356	34239	23657	28534	29223	37690	26106	23189	55720	39250	40406	28595	42956	52917	24551	32226	91205	83458	47830	109835	31478	30414	25480	27792	32458	62556	91870	52086	44270	50636	39209	34713	39813	30860	63101	61978	91567	76793	71859	1	42277	39556	32480	34025	66273	60687	151437	52803	141243	53049	104154	78779	167376	96419	1	64441	56308	127017	112662	82026	198341	59030	53831	138317	132861	143264	1	49145	66027	49260	121569	128838	71554	123602	81505	52339	157104	203728	57271	112939	19490	180639	42815	50879	167404	203165	141400	109816	91394	38776	111284	123282
274.1075@7.6419992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14855	21459	17180	20127	1	1	1	1	1	9975	44658	41074	1	1	1	1	1	1	27321	23898	43207	65756	74436	80209	12025	10950	64868	67522	53775	56282	43245	46892	9331	14276	62151	78890	85061	91561	16445	12107	75566	69115	28191	27385	31435	32030	1	1	22308	21901	25094	28748	1	31542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H4 N4 O2	87180	83205	35662	43251	23916	25489	49605	49333	60107	58147	35202	33580	38233	38685	35923	34333	88696	87467	35404	36058	37824	42982	32734	35958	37935	39860	74938	71351	67624	69571	29083	26500	51649	51782	27871	28540	8387	8514	19000	16074	29066	30762	10813	13096	11830	12477	14412	13148	22972	19004	1	1	6297	7261	15096	12249	23073	23312	35948	36199	39554	39718	54885	54784	32275	34142	24516	22518	17474	16319	30609	28867	38629	35597	36892	36245	43758	43997	34137	32852	39613	39671	53865	54307	13266	12582	74881	74818	58371	56229	38671	32690	16636	24471	44534	42807	45882	53134	42640	38535	91351	91492	42464	47729	31282	34669	21708	19353	54105	51914	63849	58809	35766	37848	1	1	1	1	1	8281	1	1	1	1	11188	9810	9429	13145	1	9745	1	1	1	1	11963	11427	11618	9320	1	1	12727	13518	1	1	1	1	1	9379	9957	11002	1	9812	9922	10687	1	8827	1	1	1	11413	1	1	14982	14649	30260	28301	37586	37163	41713	41841	40796	41470	76637	75859	40973	41325	66060	62838	28612	27352	38590	35340	16132	20049	91769	97741	116962	115515	35176	35515	101572	102330	110711	110109	26859	29540	95191	93700	23892	25544	87283	83512	48158	45749	69398	67309	111884	111628	85607	83842
433.8399@0.8777153	47317	52987	54405	50235	55054	49844	44933	41425	63142	65987	55379	52567	63059	49478	32638	29119	60314	65890	55910	48057	47001	43239	38941	40064	49274	54163	60029	56407	34689	45498	56909	50582	66752	68468	67556	66851	67672	67432	45202	45076	64021	61102	43487	45407	28571	27820	40021	39667	56439	52686	24923	25551	47606	46586	77215	81128	75073	73935	60729	61246	52804	49730	57612	52244	47753	43462	53700	61328	47244	41728	47163	57145	34478	33215	48235	47518	39772	49656	29056	35120	32375	33739	48146	44283	37680	38781	31435	35752	37391	40897	38608	40613	26180	24167	48705	39181	38194	43235	45341	44543	42377	39870	45954	45951	45050	42857	40923	42158	43086	39760	53655	52268	53685	59434	40438	36343	49440	45478	51924	53657	51397	54184	51074	52270	49112	50230	44823	48458	29475	31984	47919	53300	36335	39100	35788	35607	51416	52518	42662	39511	55547	56592	34986	40922	57357	55452	45081	47305	51840	53979	54378	54169	46227	47901	26230	28904	49870	45747	55063	56221	37538	37861	35412	37850	22413	21539	33979	36358	31631	29479	46501	43803	31777	34206	40523	43194	30305	30659	34732	34602	40402	37753	35830	36920	29533	27733	36923	36849	42309	42018	29601	28984	47109	53113	33377	30881	38863	39235	35807	34331	34195	30293	26839	24546	32922	33888	28068	22752	28776	27707
510.9089@0.8840003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10032	10476	7104	1	34555	36924	1	1	1	1	1	1	45905	51882	1	1	1	1	1	1	1	8368	40665	37528	26713	24938	1	1	60012	60231	44805	44817	39725	43625	8980	9301	44145	45595	35727	32848	1	1	25964	25109	1	11121	12594	11211	7161	10595	9166	9287	8588	12258	9646	13198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
390.7954@0.8760534	21945	20633	24923	26762	11802	10035	28014	26835	22425	25337	14547	12251	19177	18329	15646	15914	25431	25615	20154	21563	9878	9342	31863	36365	16458	20697	18429	17916	29103	28578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25288	27908	28225	29035	56970	48127	22642	19370	19458	27107	18791	16919	55911	53927	14594	10273	19847	14496	22728	29249	30879	37211	58474	54105	48048	45296	18072	16675	52395	50599	51811	50684	54515	52856	33262	28202	59924	53327	54194	54252	20451	17246	49932	48171	28923	27230	30414	31388	11078	10931	25151	25640	28940	22594	32659	38775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
824.3738@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8695	9436	11626	9717	25022	21116	11352	12415	13893	12172	17605	15647	52160	55261	1	7486	14622	12206	14432	9205	6406	7957	31878	31427	25032	25295	15470	16022	72260	67501	47739	47753	45212	42844	7057	8691	38649	38332	29010	28488	9471	13224	19756	19449	7316	5735	11592	13865	16910	19647	13147	13290	12111	12309	10423	8247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
351.7942@0.8685595	42546	40727	39843	39027	46215	49283	40435	41835	38599	37164	50062	47004	49134	44368	45381	45074	36325	40631	42451	42648	53296	56581	32593	36518	47931	52935	46640	44683	37636	36786	89378	85285	82447	78431	82032	79369	85474	80970	73256	73749	76333	74617	86169	77130	87609	87448	80143	84169	102347	101466	38262	41722	74362	69447	93332	96359	65346	71340	43491	44794	40145	39126	21403	16800	49002	53278	50117	53214	53787	57568	15683	18350	41729	36179	58000	55193	47165	43271	45132	38953	21104	15996	26650	17253	54381	49330	14194	14912	15603	10994	14849	11435	22390	20518	16939	12121	20257	19506	56289	52927	21373	20901	41174	39045	38443	40698	65653	68057	41986	44079	44416	43951	43624	39399	49489	43598	51264	47899	29881	30815	47748	40631	55638	56275	48701	48314	46583	46727	46943	48255	48921	50589	45401	46833	50730	51667	52832	55540	46825	51117	45479	48381	48868	51698	54613	53511	48785	54298	58699	58017	48980	49767	48157	50213	28225	29519	59954	57992	26996	26098	52005	47557	55622	57394	29345	26800	30596	28030	26363	25422	38528	40854	24246	22467	28155	29736	37547	37214	32421	32533	26521	29316	36799	33110	21219	21917	19349	21098	27418	31660	22794	22910	23094	24810	32028	31576	20873	22939	30602	34334	19830	23502	44508	44236	27589	24177	17728	19446	28659	25562
161.03@0.93689466	67297	62388	65902	65520	63105	57670	63034	67210	76936	73861	68479	70220	71743	66245	50329	46357	78022	77517	67331	65503	57449	56871	56134	53426	66422	68796	62560	58300	57021	58846	70181	74681	90972	88196	83023	87092	82661	78176	88314	90046	76115	75239	58328	59978	50630	46559	61599	71794	56422	60914	35622	38742	83015	79318	77512	79357	97143	96424	79212	78235	62473	62790	80159	84078	72569	73965	71428	74201	61717	57861	78375	81748	55183	51775	80439	76940	84428	82740	65552	73479	52932	48738	78156	73468	59466	58469	72393	73839	68461	70037	77836	75707	37061	47298	81457	81729	90886	90998	77013	74733	82370	79951	69736	70022	80343	78406	79802	75635	62272	62353	81548	77284	115571	95727	52144	48014	55344	55288	62797	58282	61176	61992	44376	45219	49305	53191	53503	56102	45786	44443	56404	54655	46845	47355	49929	51135	59269	61319	54236	50455	59357	62580	50835	47085	62141	57311	52329	56731	58488	61465	61406	65708	56006	58116	37740	37230	46471	45177	64760	67264	49727	51444	50754	49668	33099	35492	38457	37456	33672	36251	41320	45811	41919	42615	41072	46460	38076	39359	44837	40231	45008	47851	37197	38579	50397	50207	53501	53040	46173	49398	48221	49146	63952	58324	38566	40899	54662	54620	36025	41355	51623	55508	33969	33966	45023	46525	43450	38827	40864	39113
Nicotinamide N-oxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22531	23437	31142	27818	57821	48313	12628	13653	20815	20906	34694	34951	77271	81772	13954	16288	16287	14265	10485	15490	24207	26097	62887	67398	57902	58812	40746	37615	71264	72235	57088	58873	69286	70635	28955	35313	71300	69261	68153	71324	18204	18552	54217	56816	26267	26263	32670	33045	24236	26412	27699	31172	25824	25044	36986	36155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.9164@0.8531993	68635	29459	86343	78164	44538	41618	88336	63258	81604	71418	53790	57811	27840	66802	68846	61382	34313	34716	28517	29491	48832	12485	81081	48438	54696	57692	56292	51293	64171	85441	17555	23498	20478	20890	16821	20110	20700	21406	22234	29350	21810	21179	17910	16833	16854	22984	22681	19941	19738	17320	15743	18370	28010	22385	16373	17845	25858	23711	114547	101583	87484	83665	151890	118512	84115	82514	78922	84242	61353	56263	104336	126068	107127	98850	90991	114305	98926	74603	76909	81092	170143	85791	122233	158826	63040	58841	112512	120271	113482	191901	132296	101028	96413	127992	233774	160207	134532	150175	60661	118943	200403	179189	150005	148843	128042	141359	74169	84753	117340	134166	114679	116874	155917	139068	21640	21838	26789	21626	31280	34995	27504	29208	17663	20211	23660	12287	26731	12311	13471	12168	23744	25406	10010	24793	24651	21400	13825	22207	13469	23861	28195	29769	23326	23536	25161	21054	20654	21993	22701	14287	28920	29066	21540	21960	29219	23615	17674	18433	45365	45678	26158	22741	17360	16320	23341	20412	20373	22290	21988	22004	19780	18181	36187	32876	21571	23982	18068	20031	22434	21792	27321	28107	19451	17090	39222	39399	50967	49460	23754	27105	36687	40315	45613	45937	20599	21126	38447	45382	21186	23027	36826	34476	12872	15272	34635	32725	43025	43411	38116	34474
Hypoxanthine nullnullnull 1.5449989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41746	39995	19862	17651	68995	71019	20456	22070	11336	12054	1	11332	37570	59705	34167	28736	17287	21926	33694	32494	22923	23284	47207	49027	67268	72656	1	1	100793	97719	77433	76349	62971	61177	1	14599	51659	53521	89432	85029	25531	25560	70992	66203	23443	22813	21882	23462	1	1	48500	46295	43706	37851	30278	27753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
201.0069@1.1118926	47705	45810	37881	19766	23404	23576	42486	39168	22496	20202	25888	24713	34245	34682	32073	32900	46445	47086	37749	32822	25231	27731	21941	47169	30955	32541	40438	43648	56692	60337	14894	17037	16954	13893	1	1	1	1	12651	12184	15777	17804	1	1	12411	11694	12786	14241	1	1	1	1	24142	23171	1	1	21510	9961	31253	36514	39394	31934	54716	51799	29093	27669	23202	24732	25850	26949	70453	81257	23385	21402	28294	29281	29480	16018	39141	36006	60842	60708	62935	64443	22858	24790	86604	81528	60342	66129	66331	60309	8368	26980	71820	73371	73240	74586	33009	36004	70489	66475	42164	44475	50483	56571	22764	20619	52063	53001	36535	35384	20166	54947	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.7789@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39588	31748	38460	33113	32121	29378	39958	39866	36982	34494	31562	31694	19144	20040	51912	47910	49808	49494	41351	21733	13603	20660	19066	15759	25188	27560	33825	31106	20172	19669	17944	31561	29175	25767	34845	40713	37300	40794	35063	41192	57707	54246	53438	50865	58140	64503	58954	57329	50064	45169	53810	59487	52512	53585	78174	60346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
380.1741@12.640997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18915	15557	14854	12981	1	1	14656	12166	1	1	12378	8912	19568	13715	1	1	28237	23943	21154	15556	27601	25586	49761	28053	20460	12438	20761	13411	1	1	8878	11326	12096	11198	1	1	14857	1	20746	14618	31637	27476	10201	8528	19468	17582	62566	17432	16696	16414	12077	1	10090	10297	1	9741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.7548@0.86205333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74333	93322	64227	67609	81065	59655	82675	61241	85808	87928	58312	60904	58987	71727	55983	40827	73587	74680	77033	66484	47166	48163	36023	38318	65785	57242	38253	61642	49581	56977	47677	39222	55110	56188	32323	31607	60312	52531	67512	67505	65137	69050	67879	52823	58872	73890	77223	70481	113404	78221	48091	63907	88560	67753	99121	80389	8795	8118	7954	5866	5804	8744	5934	6837	6874	6582	9013	7203	7699	7316	9835	7390	6596	11173	8262	7104	10620	9480	9473	7246	6295	7242	10689	10055	10153	6386	7212	10796	8657	9235	7993	9032	5669	9830	8109	9288	7773	8172	7801	7879	11196	8428	8833	8866	7755	7336	5422	1	1	1	1	1	1	1	6898	6282	1	1	1	6029	6022	1	7045	5983	1	1	6818	7899	7435	9497	1	1	9061	8527	9646	8912	1	1	8936	6453	1	5854	6997	6709	7088	1	7432	6194	7609	7660	6895	8424
378.8148@0.8707016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35498	41583	35919	43413	43508	47424	39318	37187	42155	43720	33392	35407	44056	32791	22888	23296	45265	35521	43472	45024	34542	47030	43109	33134	46477	35035	36445	36066	22487	32078	30901	29014	29831	33406	24691	21939	31045	35337	40684	30740	36415	41802	38064	33238	36295	37455	45340	40941	41386	44100	34828	39209	46569	43292	47778	49928	19051	14133	16729	16376	14497	17075	15611	19056	12815	9960	18120	18938	16592	17123	19736	16738	14239	14970	17851	23875	16582	16661	19588	19586	15319	17467	21169	19170	18804	16309	13946	14828	13642	12827	12916	12702	22037	15592	14771	15985	15163	14431	11624	12400	21767	17249	19677	19307	12702	15237	7239	6650	7837	7004	9452	7754	6647	1	14807	12257	7123	1	10168	9937	6395	1	6986	9834	1	1	14800	12991	18325	18281	8681	8087	12424	12941	15083	17277	1	8093	14065	15880	1	6110	11095	13028	7852	8861	10963	11796	12504	15107	13064	11510
Glucose-Cl	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25321	22009	22392	20286	53054	52375	16409	17043	19019	20892	16499	18567	81598	77057	13505	12282	18452	15567	19013	18595	31833	27487	73116	69817	59166	48431	16698	20088	75804	79871	64634	62861	71899	72675	19903	21843	68498	71153	62456	61765	20134	17800	49195	50862	25359	26394	26312	25083	13879	11807	21736	27301	24914	21591	42685	35029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.0519@3.9790013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14188	13008	1	1	1	1	1	1	11030	12928	1	1	1	1	1	1	1	1	41360	9451	11849	44200	1	1	29902	22889	14894	24163	22343	23201	1	1	21300	22238	33921	22879	1	1	24250	20718	1	1	13389	16261	1	1	1	1	1	1	10332	10723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.8243@0.8447381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38361	36787	42430	38847	51459	43140	33827	38532	36129	36993	28906	32461	31119	31485	31288	33254	29316	33505	39149	23873	23553	28348	25496	27883	37030	40626	30735	29370	31522	29770	38539	41714	37520	38775	50334	45683	45874	45665	45312	46464	36624	37447	45685	45223	43166	48878	41306	41291	29944	29693	42409	40376	40435	39639	46912	44900	14831	14500	12728	10252	19644	15581	18164	14937	13480	12349	14887	14196	14686	15412	16964	14429	17873	18129	18063	17894	15880	17622	19911	16426	15670	16438	16942	18832	15690	16283	12144	14810	17301	13069	11109	15591	18729	16006	15461	14165	20347	20835	12042	10154	23225	27168	16542	19587	13533	10655	14997	13959	9909	13078	15556	15014	9341	9909	30066	31178	15498	15304	18639	19761	15316	15467	20683	19129	10289	11633	31411	30228	41469	42153	16766	16301	31312	31402	35772	39396	12814	12791	34611	31779	15881	14138	29914	26795	11148	11856	25489	25390	36529	35219	29871	27342
183.9954@6.457149	830277	827868	839686	482044	714043	772192	732976	777266	698932	766803	897126	844072	846367	825800	513808	775765	770735	728170	721934	741772	735921	763799	728447	773210	703872	721469	770598	775750	775944	725432	755074	765810	726721	748232	775142	783542	743891	777112	768999	786991	744122	769177	747847	755493	750353	756877	762575	771869	762379	774770	894058	863851	861703	590955	832400	861974	858522	814994	484901	422136	662563	440199	676100	690889	616974	417282	411490	655331	712433	358714	683371	665500	723212	702666	664259	650393	412062	661192	425357	703212	705133	712923	481012	795994	696688	440731	499840	469171	426382	657635	430895	374419	695667	938539	433496	455135	625199	432410	630001	668521	392675	638109	595753	386773	589542	583649	589195	577649	609930	559471	605376	396553	334679	625350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
581.7673@0.8603452	14024	15266	16755	16672	16448	17785	8834	6434	17330	15797	12763	9961	10774	16659	17630	15924	16032	15818	13788	17137	1	10010	10054	16531	13978	13821	13668	12566	11126	8698	6516	8801	9056	11417	9151	8329	7859	7601	8876	10224	10051	8261	1	7376	10981	9308	7073	10641	9596	7865	1	1	10077	9469	1	8172	11654	10978	49306	51340	48616	48037	53688	55147	61975	57362	55223	54528	48646	39913	62461	62185	24073	26755	43848	48587	49323	68984	55088	51063	55813	47396	46457	53271	44830	35335	65053	64871	51169	54869	50314	51586	24136	22568	50519	58326	50457	48028	49199	48063	46349	43048	43116	40797	46513	52030	44271	40052	35567	39837	44187	46002	50161	51190	20044	16394	10877	12233	15339	13928	18292	22241	14347	19212	14361	19511	16747	18456	20346	17119	19026	16777	20377	20566	14845	14875	14332	19834	19637	18913	23266	19605	19964	18797	16026	14749	15969	16456	14046	15651	18572	16925	16686	16616	16377	13488	15168	11192	20297	17702	19854	19915	14205	13053	7739	7257	6596	9098	5938	8420	7955	8599	10688	11454	7581	8894	12248	8929	6727	7364	8678	7974	6864	7720	12326	10565	13842	13275	6019	9394	6827	11264	14867	13726	7265	9170	11810	10882	8471	1	10778	10596	7965	9379	10841	10662	12874	13468	12312	12709
131.9653@0.8576324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57099	51998	42005	47417	62624	61722	30580	31192	32188	28762	38364	41263	74719	76525	9476	45573	35540	32344	33632	32282	42515	52733	50088	54112	60533	63778	27662	24986	81928	83824	69994	73937	75200	76022	51835	51933	79105	79474	68889	77976	24519	31143	63845	65417	56699	54506	61923	60083	30225	33092	48020	47230	32279	34453	73390	72054	18782	17870	21075	21460	22993	23211	20118	20998	18164	19287	22597	21772	18851	20618	18454	19905	20704	26724	19727	17262	20000	16366	24599	24487	20847	21362	21478	28239	19594	21495	26246	28188	21531	19517	25326	26134	26683	25249	19098	21588	19376	17190	18346	17700	26338	23160	22128	17258	16150	17713	16641	16647	18199	19442	24378	19942	20349	17442	22856	22505	20538	21835	16717	20697	21622	26661	23032	26787	24716	25711	26283	28977	33670	30892	27001	30385	27346	22053	33106	32711	28699	23713	31920	31417	23729	19826	31299	31530	16324	14297	28619	25547	23507	26338	21911	24233
Maleamic acid	78438	77939	83594	61110	56462	47459	59839	60628	53643	55689	45584	50829	52413	66774	62189	65827	50086	55295	52772	48601	66639	65924	77544	74084	53592	56741	64271	65769	78701	77605	12655	10254	15004	18297	13044	14631	10467	10297	21882	24876	11991	12298	1	1	14467	13840	21469	23946	1	1	1	1	24041	24884	1	1	14373	14483	23913	23320	30741	29822	39590	38000	20614	21874	22503	21680	22324	27497	45403	39993	27942	24539	19044	22979	21389	19582	17102	20285	33879	33396	25642	33151	25163	27479	47755	64951	47007	44727	34911	38593	23505	29147	42472	40547	38078	34019	23408	22341	47829	48516	31901	32273	31532	22657	26463	23453	34380	36843	26245	27692	39357	37188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.7509@0.8553552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44724	34319	35480	36744	46935	41369	31607	31620	39252	33079	35020	21730	49151	47642	16230	19860	21405	30212	29516	39941	39265	36602	33566	30102	39875	41837	27789	26074	48760	50136	49116	50725	49642	48310	30108	29659	57925	58925	46922	46260	29140	24613	44498	41813	33910	29745	25401	28970	17966	22500	31758	26111	26941	26301	36332	41232	9921	9848	11612	9271	12293	10136	7881	12857	12443	6496	10592	12207	12912	10625	11116	10368	12024	11008	7292	12706	11950	14494	10978	11550	9800	12711	10461	13933	12205	14733	9941	6726	10071	7964	10353	1	12023	12396	1	10814	11748	9369	10041	8168	13436	10915	12540	14889	10937	8672	7509	1	6886	6623	6623	6727	6920	1	9737	9733	7898	7762	8734	7392	7212	7869	6470	6911	1	6552	9356	7370	12014	10798	6984	5589	10743	6902	8489	11294	6404	6466	9370	9094	5672	6900	9811	9701	8305	7056	9704	6551	10090	8573	9453	8606
785.8343@0.8433787	31160	29978	31957	25378	52368	52971	27757	19410	31062	26664	49338	37872	40858	39896	35829	34879	28173	32114	35452	27792	55549	55367	22049	22429	29761	37329	32552	36072	23002	20594	97365	102613	98514	94165	95309	96716	93696	99496	85339	90038	100425	95394	98759	96177	102198	99517	95315	87968	112722	105986	56528	59309	84932	87552	111522	102157	82669	85285	46500	40053	32942	36387	12556	12570	66862	62958	60892	57891	63356	61219	11740	14249	38883	42548	61656	61075	57614	36710	20107	20066	1	9915	12264	16000	45302	47420	17896	14301	15966	13703	10824	13858	17004	17055	17889	14741	18630	12553	53289	54454	14701	14323	33953	38440	38420	36561	63990	63240	35314	38116	47120	42133	36973	34392	15377	13974	16805	16316	14950	11342	15200	15120	15441	15022	14531	13972	17251	14435	13460	15389	16316	13601	12404	15954	14490	13808	16058	12755	15799	14895	15406	13825	16161	14576	18761	15640	15919	15025	18867	20009	15228	16070	16969	15993	12073	12448	17104	15703	9601	12448	14564	12945	16830	16643	12833	12973	15980	13831	12475	12321	18811	17781	11495	8992	14952	13220	15805	15745	14293	14102	14172	12753	14913	15453	13484	13354	8809	10769	13776	14598	13724	13648	12821	8054	13342	13923	10568	11632	14680	16001	13095	13176	19069	19423	13793	13791	11292	11131	10770	12150
Cytarabine	307265	311143	395437	415643	242655	238376	450391	455183	374815	357002	247018	237964	277670	290118	305379	307645	324216	328201	286698	276452	203748	195835	414846	417717	273935	297430	235111	239251	440527	454760	19249	18076	36568	34982	35110	31750	16988	16887	155071	153866	26300	29296	33232	37209	121290	128317	38750	37895	66513	64238	8004	1	67340	62991	16390	16772	58095	61008	24536	23573	19051	14858	38480	42001	16951	18831	10464	11714	15752	15266	30699	28650	15028	16046	9766	12010	24566	22028	17310	19206	32458	27818	41011	39746	17790	16567	48921	43861	36162	40842	25469	25898	11524	11075	36559	31845	48890	48389	17670	16890	59388	61951	13498	20503	14300	14622	9504	8503	26437	23590	26685	28601	15873	16361	144939	141629	69941	71206	134887	132544	83081	77963	79927	72037	109632	112054	84184	80101	62246	65182	143562	145692	78404	71561	237723	238233	175081	181891	72888	70168	61195	56766	52263	51035	110140	116268	73056	69005	71012	68876	58314	59287	95340	93479	147283	145879	75352	75275	157859	161906	75076	69604	117145	114628	49347	46554	21368	23107	34997	33640	44012	39618	86846	84294	24851	23078	38507	39139	40830	39241	31436	30362	26577	29229	65817	63932	111367	115530	26109	28040	68760	66445	95716	95617	42517	43010	82091	83286	48565	51144	62501	61605	28129	33260	67216	66804	70058	67302	74392	79278
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249.9264@0.8466114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21854	20556	18937	18436	38011	36026	15048	15341	15609	14707	14286	11233	66839	60780	12291	10051	10233	12700	15379	18399	22878	21071	43084	35538	31165	34479	11895	13963	57156	57776	47132	42589	42756	43896	13650	16986	49182	42817	33310	36370	12024	13722	27678	28400	14748	15131	18450	15214	1	10832	16365	17147	15491	13874	15636	21759	8155	1	1	10516	1	1	13146	1	1	1	1	8134	1	10534	8673	1	1	13935	1	8033	10464	10381	9712	9732	1	1	12228	12555	1	8705	10211	1	1	1	1	1	13320	11744	1	1	1	1	1	1	10254	12130	10749	1	1	9267	1	1	1	1	1	1	1	1	8083	1	1	1	1	1	1	1	1	1	1	1	1	1	10566	13284	1	1	7187	8396	10089	11872	1	1	8269	7631	1	1	7810	1	1	1	1	1	6412	1	7836	6269
623.9627@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28016	29565	30358	31680	60543	58560	21079	23646	20290	21883	9622	10378	48752	44719	14373	15601	12675	13613	22766	15215	24001	25641	47621	45783	46190	44339	9855	11404	38371	42007	44150	47087	41265	41489	22859	24206	53259	49606	53730	55798	20955	19761	48121	52162	37807	39270	32744	32063	1	1	30340	29248	29932	27138	34246	38934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Norleucine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16195	14138	13287	13852	80345	81952	16429	14884	16518	1	17036	15806	71795	77577	28305	19388	54185	57923	40920	43927	119347	184793	226167	204527	57446	153690	41965	40350	97065	120629	251572	252037	227546	202996	42353	44170	237051	232036	290234	294086	158194	153687	457551	415579	128701	137635	112462	110384	90978	89531	76720	84031	83722	79743	275056	151330	47133	46227	68053	69138	62395	63169	196798	201111	53646	53091	67937	72883	112511	114340	56367	59605	75633	76924	72010	71150	83987	85139	80806	83009	151636	147338	68054	67458	149278	148060	54361	55676	81710	80774	76290	77866	58871	59531	80181	76687	70844	71171	52521	59092	79035	82445	62379	55997	109573	106468	35907	43511	58155	59019	34635	34222	30913	35972	126739	129521	78400	79229	56840	61108	31222	30829	98548	101690	24260	23834	85070	85018	151702	156590	74674	72674	104759	103681	146450	152895	32848	30270	138670	125164	37189	38189	69676	67601	37656	35125	79275	89454	116133	116432	106448	105312
521.828@0.86547416	34691	36861	38374	37847	28728	32341	39481	42116	36579	42605	28805	27932	37915	33340	35864	30593	40350	37944	34597	38201	26746	25955	47634	44346	32320	37841	39455	33466	44312	40998	8553	11155	12167	11955	13432	11656	9936	10407	14510	15673	15576	16345	11997	11284	13520	11388	11702	14527	9576	10321	5505	6087	13774	15420	1	5742	18057	20332	44934	41902	51780	48650	68932	62184	45580	42479	41950	47905	28371	31209	48917	51315	25598	25770	31375	31061	43675	39936	51209	50945	51141	45712	60101	64170	29626	29170	35582	42530	50349	51562	52910	49701	41337	40507	56424	58732	65234	55533	39980	42418	62867	54699	48417	48591	48769	49979	21586	22334	44379	48182	46551	40430	67292	60571	9515	12347	10839	13088	18256	14671	12133	13528	8238	9768	13667	16462	16220	12571	14448	16557	13968	11521	15784	14627	13768	14789	16094	14775	13815	14471	16707	16741	13849	13536	14743	10728	12898	9508	10741	9365	16929	14715	12459	8193	17136	16460	10836	8412	23237	22451	14280	14813	10247	9111	1	6711	6238	1	7319	6846	7388	6825	10202	14024	6819	8502	8436	8313	1	5797	6021	7664	1	1	15914	15149	19306	17693	8337	7562	13843	12758	16545	16636	1	7259	14478	14045	8265	6287	13927	12578	6246	7712	11342	11961	14257	16005	12391	11581
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253.8477@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42619	34400	38781	32654	72749	74239	27617	31255	31129	38860	34751	30266	75816	78300	25509	21943	22428	25767	35458	41882	74508	57950	72239	71484	68369	61590	32081	39005	55932	60990	69635	70289	56135	70665	61838	47420	65601	67758	67787	63873	31248	36088	64935	46737	37305	48898	38507	45299	26549	23536	35415	35111	40169	31236	41211	57179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chaetocin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	325183	70559	279644	146284	74313	51429	240406	149137	84796	130386	66872	140692	107086	147119	70559	63208	29866	50390	59031	63944	84646	57309	130904	103193	90369	74100	63622	44011	22883	55178	73922	51901	117706	64511	59291	65592	26179	69680	27068	72296	66161	67419	81352	81992	54842	63542	82538	47086	67812	59915	143584	71501	25983	65374	82799	49927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Crotonaldehyde nullnullnull 1.2654847	33035	36746	9933	14802	9861	8293	1	9010	17521	17260	8675	9130	47608	18480	24041	27711	16013	15145	22756	20343	14887	16798	18217	15814	1	1	11674	11063	7997	1	19961	14438	25613	22147	39596	40442	18694	21469	30219	33568	25667	23885	20005	21154	28078	21536	26108	26882	15259	16434	20336	1	45542	42234	16267	11708	28329	45376	47529	43001	26664	30602	60466	68642	69571	67863	34727	38604	30655	29042	47654	44763	28121	20719	39131	30557	38467	38346	55678	56970	53147	40536	73878	72658	35699	41623	64027	76320	70467	84765	49855	45909	15834	20256	74034	65462	78559	63144	45850	48386	95021	99396	36891	36409	37250	33101	35757	38388	33965	27389	25155	25417	40102	30534	11902	12769	13738	15431	14844	17474	15440	11674	11527	13420	12078	11389	9035	8998	20036	8349	14330	19472	15334	15124	13066	14236	10647	12296	14695	13725	16905	13259	11527	12144	1	1	18583	17816	23718	26432	8573	20115	22826	22214	21337	21728	16657	18149	12563	11113	8913	15700	8868	8297	52441	47999	42564	41452	43472	44942	28437	29455	61345	1	34985	38195	1	70964	35290	37439	1	41753	40209	36621	1	71552	10472	9344	41346	41614	1	1	1	1	1	1	1	50979	40548	1	1	1	1	1	1	1	1	1	1	1
1021.7744@0.8399478	48210	48850	43575	45194	66240	67336	37333	40642	50336	51312	72571	57297	60861	51766	56208	50505	50935	44836	53447	50625	56170	53700	38442	35665	59420	71556	51228	60494	42790	47161	58382	54934	53345	60572	58884	49794	62278	50936	66221	69841	60895	60777	54024	51522	55167	53888	61129	62540	42308	47336	56697	58201	76934	78121	47841	54857	68706	67709	26950	25924	30040	30410	26292	27328	29745	34127	29875	32439	30200	29951	20617	24272	65887	61919	63891	63113	42837	11444	1	11435	19682	15698	18275	26677	31611	31759	21222	22967	18882	22129	25937	23801	32852	35517	24360	32907	33395	37400	67774	69729	37530	35277	58796	55110	61139	58923	66696	59030	64465	58497	63448	55538	82769	64302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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715.8493@0.845248	54880	55080	58605	55136	63976	58961	61770	51997	53695	60734	66315	59050	55981	58531	57562	52564	55654	55613	54849	57916	65277	61493	55400	50523	65075	56867	62233	55585	52308	52970	107120	102544	104750	110602	111133	109383	108051	116199	97862	96280	103368	103934	109373	108880	100039	93896	93634	98803	107833	103916	91403	89247	103837	101142	118810	115829	103795	104625	40466	39717	39455	40106	39012	39016	52837	50186	52103	46424	46575	48413	35714	42587	53068	47374	66078	60491	51421	34458	24663	23378	33095	33365	29974	30990	44359	41846	43429	40064	40942	43372	39775	34341	22881	33092	34750	47584	43013	38653	54537	58067	38326	39666	39685	49225	44473	43514	66603	63943	44150	42701	50944	47048	60021	42873	54328	54367	61968	57932	51133	51061	56044	54735	66449	65707	56055	56115	56902	60443	57525	57020	57085	59552	53106	52650	54891	53605	62421	54887	56701	53039	57417	56988	57394	56597	62039	60890	62356	61808	66199	66541	57655	58484	61623	58469	44762	45591	67616	63440	44986	45170	51592	52014	62191	62805	45982	46986	49347	53220	44312	41191	72454	72383	36994	35932	50286	53453	56750	58986	54426	51691	49196	49315	56362	57242	41772	41573	31264	32609	48886	55411	38772	40320	37968	37323	53096	53853	35040	37154	52481	54415	43110	43838	78361	76365	41377	44509	35881	37177	41937	41508
2,4-Dimethyl-5-hepten-1-ol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	243504	263543	226126	250460	228483	450732	273224	199988	309232	261684	259160	403731	210696	252730	241134	80502	481914	290758	138065	89482	310406	273014	282737	505503	129500	324299	258897	465238	233359	186302	304229	223441	295875	368731	198057	372899	339106	331426	111512	382209	341235	336908	277908	175193	286594	327695	401501	363843	293454	164596	309681	128521	326227	329383	5038931	276514	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N-Acetylmannosamine	140165	153884	138395	137972	96702	96877	124368	131918	124244	120083	77203	75972	97498	106073	105918	114472	115596	131374	102989	99695	120560	133119	179096	183903	119434	124917	176340	192164	255637	260555	69213	70032	76212	80278	107585	102035	43232	39691	179739	187425	48114	53107	67112	65182	121721	126294	172013	175663	36514	33095	18663	22631	141846	143500	10958	9340	105438	98049	15980	14762	20904	18909	43237	40590	1	1	6735	1	9538	9632	26132	27003	18527	17561	15181	12379	1	7343	26378	26923	43625	39445	33190	33768	10300	12583	46788	44159	56207	56786	38356	32065	1	10026	42702	42270	41870	42143	22948	19895	72069	73310	15914	19318	20702	16683	1	1	27379	27663	22066	21768	27687	23669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
452.9486@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9027	1	8034	8213	33715	32419	1	1	1	1	8052	1	51132	49384	1	1	1	1	1	1	1	1	35914	36119	25504	26235	1	6714	59634	61918	47663	45578	44150	41461	8227	1	49234	44336	37856	37878	1	1	32001	29133	10614	8041	9359	1	1	1	9656	1	8304	1	12091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.9668@0.79559183	25833	28289	24434	20684	22078	25298	18851	19312	27043	31442	25896	23838	26637	24101	20258	16001	28970	28227	22448	27204	22311	23923	17962	16803	24098	27787	21932	23356	19270	21942	35381	34875	32626	36473	32273	33695	37702	35502	35109	34181	39290	34639	28461	30467	22860	23777	26298	28061	29061	24171	15064	15350	31236	32115	34595	32007	39613	42398	32600	30500	22240	24363	44202	39260	26254	27290	26846	25483	21434	20091	39621	42764	17060	15111	30928	28161	28610	30733	43213	44490	22400	21078	41349	42620	23378	21681	38226	40180	33079	31856	30998	27400	5427	14598	38236	35426	39060	41612	27500	27823	37513	37156	24930	24165	27360	28462	28518	27197	21299	19874	25423	26292	31438	30392	48021	47731	46498	47076	46661	52535	50025	51079	40481	40071	18476	40450	44786	42129	37851	36325	44904	41975	38960	39336	37665	36241	46378	42223	39464	42113	40575	39257	36219	36885	49727	47554	38266	43852	49321	47152	44571	44724	38375	38520	31492	25229	34869	34175	48172	42614	24065	34737	36359	35846	21435	17261	20504	19737	25145	22150	26860	26972	22228	23366	21579	25260	23549	26946	22096	22041	22016	22113	23905	24553	25807	20915	30095	26828	22539	19653	20199	19964	27270	26102	21642	21353	27276	27500	20111	22048	26907	24292	21696	20346	23592	22195	22988	18337	22074	24259
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Lauryl hydrogen sulfate nullnullnull 8.043107	60334	52514	81963	28537	22922	33637	41502	26711	56952	30997	48271	34334	31682	29179	51421	48110	60038	47534	32958	40479	41559	28496	56411	42008	29057	34698	38867	44516	24130	50115	48604	13654	13940	36958	18817	17068	34620	30852	24829	21336	45391	17352	22538	22994	1	44237	15104	28007	22646	18160	1	1	12195	14393	1	1	14060	14631	1633782	1722953	2228385	2286087	1757453	1790690	3183903	3118158	1245774	1255142	237046	241670	3930372	3854673	4053070	3977645	1234528	1235613	4796834	4848284	4303935	4275956	967271	931112	1277171	1234060	546796	541866	2726689	2822402	3749613	3847416	1430394	1456031	922658	1067018	3545091	3539343	3272426	3294452	4742603	4713238	8175383	8037574	5134161	5058599	1888899	1895191	186300	186197	3017353	3062728	2693034	2652917	57855	2329572	188113	187321	123337	128974	219354	217331	99668	89304	353344	347979	229485	231719	132422	123196	897005	910497	200423	198174	213557	213277	346370	345088	507474	499505	128468	130323	363000	359644	549272	554482	896640	894852	265093	268638	2496143	2486998	1427204	1393395	855915	855639	699875	701307	1716624	1731992	390665	392176	119708	118891	2592875	2582771	2129194	2106233	1023306	1026582	1006912	993031	4005358	3966795	1859983	1883522	799206	805603	2259196	2244088	755236	740323	683081	682576	1738668	1737912	1438408	1449072	1591335	1582508	610155	598484	1155312	1129962	934900	933182	1196388	1208596	930285	921318	702430	696266	1147852	1136050	990564	996242	707145	720429	1457486	1443856	843060	844776
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Acetyl-maltose	1	1	1	1	1	1	8414	8984	8909	1	1	1	1	1	1	7811	1	1	1	1	1	1	10065	10477	1	1	1	1	9332	10017	37542	40232	84393	81863	94208	99535	46581	43665	180448	179075	37594	38035	66177	61213	40597	43824	95558	95808	19880	22366	18590	18418	196643	198491	22945	22469	147076	154362	30798	31754	20200	21624	37896	36847	8437	9439	14898	16042	1	1	29605	28499	17531	18014	17916	19217	15057	12629	21199	18948	12642	13352	28513	27226	1	7433	76197	75539	59857	61266	20811	18730	10142	10856	40142	35128	35827	37339	28781	31859	52999	52376	14908	14911	18225	20394	1	1	40003	41390	37018	31522	29428	23658	6392	1	1	1	1	1	8471	7905	10285	9719	18920	18794	10920	10015	9734	10096	6498	1	10518	10983	1	10525	15208	16598	23698	31575	16285	11895	15219	14600	1	1	1	1	14193	15549	15143	16706	15990	13950	1	1	11655	9900	8662	14921	20813	21125	14149	12244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14564	14034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14302	12975	1	1
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C19 H9 N O16 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37755	40155	33602	36572	65890	65845	24822	27524	27222	23595	14559	14361	76272	73513	23013	21919	18295	20792	26544	18869	27965	30444	59281	55888	56554	58830	12021	12677	72490	63341	66623	63074	66752	67404	23317	25752	73382	74135	74246	67513	28529	27826	65458	62337	43320	45290	36372	37279	9904	11176	35838	38557	32749	31555	43447	46738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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721.4147@12.01021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18880	12694	24554	23839	90719	16853	28948	27154	1	1	55777	29776	136011	25136	1	1	1	1	1	1	50500	111624	2189242	377442	89771	30802	38041	24239	1	1	1	14648	61076	1	1	1	164795	23193	159230	14016	45292	1	113106	92408	17234	1	338167	53947	1	1	143299	42577	13414	1	84326	1	43043	52292	72784	61372	61180	57655	39455	45687	26367	20811	70807	65894	79972	71805	106139	72921	56452	50550	92397	119814	59736	37892	35230	41468	54643	55020	103317	158554	44584	65816	30627	22303	71112	46767	18742	18669	52824	48160	48775	36758	170605	140592	26406	21201	91101	94017	144800	71321	34512	40478	69824	88016	59081	51297	46868	24917	1	1	50188	16529	346105	276447	55268	20884	25065	18621	56508	43592	1	1	41464	1	43746	11413	34782	29079	26543	22556	1	1	35671	34483	49550	1	29983	18287	317877	1	1	1	60273	1	143141	294148	36664	1
> limit nullnullnull 12.390009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83746	84822	165423	141553	114663	251811	141298	146593	95826	76464	128433	239708	179318	124102	63648	58395	59419	69135	40372	78136	18651	31176	1	1	23062	53368	22193	37344	54617	43538	38287	54206	45692	38191	37751	36845	37740	54175	37957	25485	55542	50798	33711	84212	56068	18062	1	45992	59975	71452	39919	45992	62457	64228	1	30052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24221	25082	27332	29296	12782	14262	43535	44495	38483	42438	54462	56903	10854	11005	28574	29767	57600	52844	36908	30966	23143	21821	10896	12679	13332	11896	50099	46186	6584	1	11159	10768	11538	12308	15058	12945	9551	11519	12155	12115	48404	45516	11827	12244	24802	25837	29660	30895	69406	71276	32331	27728	35741	36425	25630	29946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C11 H18 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10131	12415	1	1	13175	14152	1	1	1	1	1	1	13408	14239	13869	11195	15401	16415	33024	31685	15466	13558	17272	15353	12788	8750	1	1	1	1	1	1	8620	17898	1	1	15143	14426	28981	29147	10642	13536	12494	14889	19688	18598	1	1	20602	20404	13121	16083	111792	18003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
812.0127@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19042	17923	1	1	1	1	1	1	32044	34448	1	1	1	1	1	1	1	1	17921	19359	11154	10027	1	1	65862	62310	35150	38470	25514	25667	1	1	33252	32013	17979	16629	1	1	13782	12818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
532.96@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20549	25397	20186	22273	67078	69080	12044	14327	14458	15089	19464	20927	102584	95854	16448	20502	20471	19112	12499	9613	11934	12368	60143	61800	52598	57023	20812	20709	121932	119973	100511	105095	51120	114010	34439	45444	124654	125323	118166	110142	19407	17634	85183	82427	33945	31814	35546	30374	20895	18802	33494	34507	25603	26725	48008	37511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.0321@0.9333773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50946	46684	34974	33290	44774	38796	51550	47995	50176	48439	38542	39519	43741	41741	31605	31220	61944	58612	67587	68079	33588	33585	19091	6989	36183	36760	35458	37840	13852	14309	17895	21312	26330	31724	25131	24757	39469	39273	40668	41152	52030	52202	40055	39049	38511	45877	44358	48107	69649	71460	28647	27831	51805	47171	67128	60130	11883	10646	11599	12976	10908	13262	12989	13300	12626	10723	13176	12489	11961	12473	11582	11386	9348	15155	11251	10468	10567	9668	13932	15158	14273	13004	14869	11375	14277	12717	14392	14939	12474	13773	16120	12693	13398	13448	11357	11366	7991	8028	10834	12489	14053	14725	11618	13250	11940	12923	9324	8157	1	7705	1	1	7931	9091	8534	8366	9524	9848	7075	1	8130	9391	9680	8904	8486	7671	9932	8239	10852	10271	9689	9159	9036	10383	11159	12831	9492	8201	9991	9301	9542	7413	9607	9790	7238	6962	6676	7027	6681	6709	7448	9529
325.7697@0.8717515	34794	32554	27892	30423	41805	43802	22494	28872	32090	30374	42678	40105	40554	38495	29474	38838	31425	28450	35538	32921	46246	47123	26015	25854	36893	38103	41010	40928	30654	24609	101059	97530	95893	97719	104734	98743	101792	102457	89882	99517	89337	90179	112100	106887	87977	94368	96369	95120	107418	111260	63320	61601	89826	92168	125153	130830	81685	82057	27422	29846	29728	37552	18046	18000	44825	42989	46491	44472	55527	50435	15643	18229	30515	27963	51253	53076	34886	30699	25859	28488	13564	19282	17390	21621	48498	49324	16219	16015	19302	12982	19276	17950	23980	19022	15694	16242	19570	19244	45256	48880	20211	16948	31414	31729	30411	30415	65863	67421	32217	32724	39571	36816	31583	34106	72159	78349	88560	82747	51816	50485	78446	77797	98614	98063	79418	77334	82717	78801	78871	78171	78934	81757	74306	75127	77826	75755	80575	83655	77991	81609	77724	78102	82204	84993	92440	93958	86092	89525	110648	102854	82003	83849	97534	96714	42529	47239	107451	103080	34323	37126	76610	80390	102514	103608	48439	44770	54568	55167	42705	43989	94911	94509	34081	34331	55357	56646	84865	86062	59128	61086	50658	52926	63202	64688	41040	39432	25324	29461	60635	58616	36705	40173	34700	36728	59466	60739	35413	33489	59315	62316	41562	41255	113989	114639	40760	45863	37746	36936	39509	40478
C17 H4 N2 S5	14741	33946	36057	16736	36430	33081	18848	16041	20010	34194	34955	37286	15485	16469	28099	18925	20419	19584	31741	31749	33728	35287	34323	32590	33432	41012	35104	33923	15069	35311	19174	17569	19607	20677	18569	15155	15092	16516	19523	19836	17476	19770	18848	19703	31517	20619	21422	19812	21567	21245	22216	25479	34230	19828	20575	19253	18174	20847	35168	32656	31951	34732	25557	44677	37619	34602	35229	37683	40452	39372	36230	43615	46807	46633	42290	44182	37734	21002	11574	16427	29936	32356	19230	26568	27937	33020	40188	36372	34294	42617	25115	40531	93589	48288	46409	30294	38195	34476	53719	54031	41461	43229	53461	56813	44188	49921	44290	43897	51030	51313	47942	48171	58096	44955	64428	63271	65034	53943	69848	73493	71937	69388	51704	48321	52687	58887	72064	62927	63238	67602	73322	50727	71021	53110	65296	59757	70640	70431	59959	64461	61834	78871	60021	62909	73977	71419	42942	67163	50891	76857	63611	52071	70388	56774	56547	59388	57905	44215	71554	78593	66220	63775	57893	46139	50731	45267	41313	45371	52981	46776	39254	45975	62732	63394	55148	45512	58340	45305	47419	50951	54876	56763	31338	40734	65833	63476	89800	86672	53987	57228	71433	72240	80712	75224	44740	42302	75022	73611	47849	48711	73565	72270	50443	49972	65484	65050	78377	79311	65553	63818
C11 H24 N4 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10221	9593	14101	16594	37003	32266	11042	10179	12803	12837	1	1	62487	64409	9531	9654	7505	6801	11299	10333	18000	20267	44225	42808	33100	35120	7441	7997	64548	62492	49549	48764	51347	56376	12144	15365	54156	60702	46682	45595	10408	11106	28992	26388	26154	32122	25590	24873	1	1	21454	19245	15962	15813	23909	27998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
533.8446@0.8463433	37264	39654	34580	38878	38003	35230	26993	42776	29133	40688	31895	42777	39684	42711	30754	37556	38826	32846	40905	38072	40744	37723	40084	27525	42851	44555	33716	39353	40464	31691	33174	37183	37043	34195	31458	34535	31794	31454	31755	33495	34001	37140	29351	32118	37909	41305	34849	37485	34986	40956	10266	14424	34379	34697	30615	36036	36874	32504	55208	58953	54966	52486	36570	45700	44719	45002	56683	45601	39930	51445	39773	33373	29784	27393	40346	37012	44527	57094	61587	56082	34163	31264	41765	43020	41538	35699	24957	31567	35939	38028	30014	36572	12899	16431	25777	32112	41527	50687	42854	41612	43322	38827	43621	46049	42139	50856	34758	36136	42013	42786	40114	36881	37942	47797	53107	53654	48776	53690	29576	31576	52853	50230	49945	46512	49619	52416	45269	56097	55944	56987	53222	52407	56314	55024	52742	52502	53268	58642	59477	52462	51578	52222	56633	55905	52265	49966	50425	47526	47820	51696	54166	50707	54081	50115	28696	32165	53424	51464	31107	33812	61065	55934	49644	52110	22309	17273	22713	22599	20779	18676	26384	25987	23248	26812	21836	21301	33651	34376	25868	25164	19614	21004	22708	23503	21482	15029	21381	21392	21856	19667	14359	14415	23381	20239	23082	23387	14712	15211	24379	21537	16063	19592	29420	32350	16126	22047	11461	12515	23458	21404
156.8812@4.5509996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	121881	1	40553	50203	1	29213	1	1	1	1	1	1	1	1	1	29356	1	48339	1	1	1	36687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60409	1	1	1	30657	1	1	1	1	1	20047	15038	1	1	1	37197	54421	32493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Euphornin	78070	83447	12957	15599	1	1	24498	24454	55053	52603	21382	23717	38417	39467	59042	58190	30249	25427	38746	42531	27549	29089	35526	36215	24152	27756	182824	188329	44442	45922	163344	171155	87031	88605	181175	187189	144862	131165	219155	216082	228325	233019	70806	76112	418120	389252	173729	182077	67701	74371	15781	19802	238864	238266	19312	19436	76218	79602	18577	18996	17216	18085	17308	14328	33716	30519	10862	9894	1	1	29696	28184	44373	47098	9567	9987	55109	57989	43755	46357	8190	1	11057	11964	1	1	24091	25011	30160	30865	13749	13467	8246	10452	28854	30546	31682	33038	51591	51759	82633	81244	32486	30868	25005	27935	1	1	24813	26310	30039	28267	16158	18005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.1692@8.661999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18898	18810	18065	16120	1	1	1	1	1	1	51438	47436	1	1	1	1	1	1	44368	41079	63120	108202	111802	89787	20970	18023	80541	70156	66150	61297	59609	59340	1	20232	83728	87580	102678	126839	19402	26055	84746	90826	38815	38324	33980	47976	1	1	28794	26074	31526	34984	1	46696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.8726@0.87622005	36547	38534	37743	34931	36622	35722	36433	34836	36665	35184	35535	36198	36703	39156	34813	35839	39301	37684	35714	37517	35191	35651	34892	32819	37179	40791	37370	37851	35999	40028	24136	21946	31424	30845	25640	26713	22309	24732	24961	25088	33726	32073	24128	21430	27719	29430	28495	29357	17739	17479	11988	12692	29051	31210	8259	8197	36968	40856	105972	103165	92835	96346	73134	74724	94825	97591	109707	97836	89508	84129	66486	60590	75004	64547	90763	87511	93533	103161	92044	94308	61522	61667	78544	69718	82194	85425	31622	38209	51465	47002	53514	54361	50940	51566	62058	73073	70701	69765	97017	97350	78353	78984	92392	92796	99527	93627	91813	86978	93512	95669	90864	93319	112806	97315	14220	14362	14103	13090	11026	11691	14899	15259	10264	10453	15760	14696	15521	14979	15345	17472	15470	14289	17581	18185	15215	15839	15050	15699	15730	16818	13525	15060	14000	16317	14776	16023	13795	14555	12291	9950	16368	16699	13629	12241	11753	12834	11443	11941	13318	14827	18181	15248	12683	11684	1	1	1	1	1	1	1	1	7644	9390	1	1	1	8887	1	1	1	1	1	1	8136	9038	11515	11449	1	1	7549	7392	10373	10078	1	1	9989	9582	1	1	1	1	1	1	9473	7760	1	8458	9120	8874
230.0609@1.2319568	24058	23233	20449	24015	19772	18938	20331	18778	32209	32047	16244	14594	14766	15212	13592	12534	21532	18272	24603	24508	17587	16928	28303	29628	24492	27265	27086	26369	26579	26574	1	1	1	1	8699	8652	1	1	7569	6349	1	1	1	1	1	1	1	1	1	1	1	1	7722	6569	1	1	7829	9299	10357	10714	11235	14994	54586	49477	1	1	9636	9612	8725	9658	22764	23705	1	1	17458	15487	1	18732	11634	13832	28626	25891	32440	39464	7406	8860	41909	34837	32988	37070	31154	29835	12172	9830	49900	45647	44292	43337	10670	10430	65973	60778	19984	18977	24769	25828	16762	15599	10007	11143	16179	18269	38061	32125	39740	43082	35723	38207	42358	1	51208	50316	36584	33357	39863	42792	38777	41256	36039	34330	44425	1	40090	41049	42507	46825	51356	53641	42951	41014	48414	42690	43421	41981	43653	49108	34912	38686	39625	37435	1	42982	38825	40085	34180	1	30621	29588	54176	58108	36300	38135	34174	1	27794	26405	27281	26436	18467	1	1	16852	34833	43048	33042	36159	35741	38221	29489	29768	48445	43171	21350	21641	42426	41974	69007	70296	36447	39573	41867	44469	71920	67962	34286	27463	57196	62161	30564	31210	41371	36380	15888	18213	32928	34375	51496	53662	33021	36573
C5 H3 Cl2 N3 O5 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27889	30101	27642	25398	48089	48998	22860	22882	24404	23613	16328	19647	65933	68977	22593	23642	22654	20490	21401	18512	21873	23660	47703	50571	43843	46771	15012	17645	64673	62331	57959	63469	61793	65444	30336	32559	67658	72279	60746	64543	25678	24594	51640	54033	37075	37790	31522	32492	14547	14801	31350	31812	29684	28198	46238	34178	1	1	1	1	1	1	1	6569	1	1	1	6755	1	1	1	1	1	1	7408	1	1	6819	1	1	1	1	7157	1	1	1	1	1	1	1	1	1	1	1	1	1	8227	7089	1	1	8902	8845	7501	1	1	1	1	1	1	1	1	1	1	1	7880	6547	1	1	1	1	1	1	1	1	1	1	1	7625	14493	12988	1	1	6357	7219	9888	8124	1	1	8107	9372	1	1	1	1	1	1	1	1	8029	7223	7927	1
337.9342@0.83459896	12998	16566	22152	10411	18980	18186	14852	16154	22649	20285	17028	17438	24250	20445	17851	15442	24128	19075	11424	17709	17678	16522	14926	14270	18088	21239	13482	1	7757	7562	30435	29415	33049	30192	30636	30261	32051	28186	22464	22395	27563	28830	23944	26813	18513	17951	21185	23097	30997	32150	21655	22535	22594	24432	35716	36485	31954	32142	60155	63177	58189	57314	68601	65645	53447	53838	59960	57266	46498	49305	67963	62348	61656	61689	66384	67839	59642	50725	41000	42448	49117	50286	56067	56034	48817	46453	69439	69677	64942	62692	59219	60989	57316	56384	68867	69678	67226	71304	66074	68056	66427	64149	71435	70452	75924	72392	68202	67905	64746	69686	70504	69337	96239	85609	28094	26933	27681	26260	35764	31893	31625	33930	30316	23267	24991	30478	23440	30372	29205	27218	30745	32727	28369	27051	24672	29475	27094	31773	32038	30244	27678	36820	28562	26558	28760	28108	24886	27958	25887	30050	33628	33223	25672	32052	29830	28469	24323	24800	37364	36033	29612	28074	24196	21490	26340	28944	27194	26029	31068	29060	22825	20525	37694	36367	30798	30267	27901	31696	29665	27562	32039	33163	25363	25472	37336	39204	42315	41633	30594	32046	39906	38942	41761	43972	28186	29072	38756	38228	29015	31597	40237	39873	26986	23282	35157	42419	42963	40637	37254	35277
539.7875@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56946	60852	46965	50065	72709	74984	49417	48519	41805	50925	34616	30929	65280	75437	34919	26307	45045	43809	52922	60428	47730	60908	65248	66652	58756	70837	38234	34968	62223	68819	69441	64646	61389	69270	34469	31388	67019	67572	72071	69350	44139	43334	62758	60455	45824	48751	55381	48641	47877	41531	43971	55108	55580	52520	64832	57724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
96.0201@0.9920004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91386	87972	97185	93224	115505	106685	120869	117277	93357	78065	82736	82621	113817	112671	80663	79578	75508	75595	99198	100195	128442	129078	126257	123015	138661	145848	105241	108232	111196	106610	114265	115758	117041	116319	87111	104299	143603	147775	157566	160781	107260	103259	167517	166663	118665	113642	114892	114140	80186	76379	122904	106098	101998	102197	118687	128999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
160.8765@13.094999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50566	39543	1	1	1	1	154546	1	1	1	1	1	1	54472	77307	1	1	1	1	20168	1	1	61482	49579	134552	1	106548	1	1	1	56520	1	1	1	143642	66319	62937	115979	79190	1	53074	1	1	36701	1	1	1	1	1	1	1	79583	1	57944	1	29737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
364.1801@3.3352516	10704	11937	15114	15276	13660	11295	9213	9883	8009	8837	8730	10842	9785	1	1	1	8690	7670	1	1	1	10392	10571	15665	20415	26990	17513	19693	15297	22998	14610	11978	14656	15510	18581	18583	16081	13407	17922	20104	13941	16578	16950	16224	17818	14840	18274	22417	12072	16532	1	1	27836	29676	21970	20544	29309	30713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7548	1	9840	10136	9018	9601	12086	14231	9385	11397	13324	10092	11686	9542	7716	1	8888	1	1	9767	1	1	20768	21768	17560	16146	21544	24159	24259	22698	22979	26024	25612	31487	25712	27690	30153	30528	27270	31459	66371	37015	18605	18134	24578	23950	26991	23136	21376	23872	20826	21211	22030	21175	19840	18356	16365	19238	19068	17038	20774	18979	18487	20271	22462	21523	20435	19046	20669	19901	23945	19900	21778	22583	15634	16516	18242	21083	18195	19423	19659	21244	13664	13866	18521	17806	21043	21190	20608	19638	20396	20015	16022	12365	17049	18863	16954	16647	12812	14345	20412	19321	15304	15974	15206	14673	22312	22980	20297	18949	19184	19506	23238	22937	21050	19276	19991	17395	19833	19727	21756	22667	19849	20273	18004	17621	22448	20654	19552	20616	16930	17798	19481	22093	21113	20779	21280	23349
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.833222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27233	17784	1	1	26523	19898	1	1	1	1	26866	26397	45209	33193	31566	36426	8511	29003	62793	70964	37070	84724	30142	70768	10692	13598	54682	38845	39254	54838	30265	1	20966	22657	55427	56318	83288	72543	48135	14553	28415	26474	33783	58900	32750	37140	94527	25121	64977	25841	39263	37864	1	14495	24154	143580	45374	17346	19706	41641	78916	109666	29976	132964	38830	154391	69897	61601	25802	23339	44584	36321	143960	74048	67778	62083	61881	47932	27642	33688	92699	58412	36717	32891	56601	62901	57940	56729	80859	92749	31531	31186	79003	85443	54295	122574	29873	59383	60661	54955	101137	87809	37227	56440	1	1	1	1	32765	56752	89844	31036	36533	38150	1	1	40168	41622	1	13174	1	1	1	1	17512	19414	52535	141437	25953	21641	1	36199	1	29404	1	18157	11061	8602	1	1	32815	34128	1	17976	1	1	1	1	1	91743
C13 H16 N2 O17 nullnullnull 1.50222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91676	89228	42696	43198	85259	82611	42276	40478	29824	29906	25154	24725	130447	133636	44788	46185	40266	39244	50879	48083	39074	19027	83816	81431	114898	124169	1	1	109434	111125	100244	99694	110259	101758	1	25322	63965	66932	132741	134832	40130	38824	71156	70245	43137	43380	38708	39502	14196	13635	75076	75330	64737	63517	52848	46309	1	47392	1	1	43441	39239	25447	10399	1	18439	1	1	1	1	1	1	1	1	1	26007	51956	52360	39680	38469	25892	1	22587	21215	27117	27571	42171	39533	15784	1	23616	1	1	1	31378	1	1	14603	1	1	1	1	1	1	28124	26946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
434.7786@0.8740089	32545	32910	38155	39517	22941	25905	37654	36797	44498	41717	29562	28560	28672	29641	28887	36593	41551	40686	32476	37711	24006	28047	36537	40407	33520	35678	34538	29637	34123	38961	14777	18186	17680	16769	17324	15586	11492	14410	18008	16788	12231	20162	14674	10077	15173	14081	19017	18484	10345	1	1	1	16334	12709	10667	8804	25305	23960	55507	55519	57015	57939	49918	54337	56066	57157	57791	58980	48809	49989	43537	38139	33282	26684	52514	50469	61188	64935	53288	55049	47056	40969	50670	55850	43098	46909	32826	33768	36200	34329	33937	35995	29381	31082	36817	41295	47306	40861	46758	48905	50849	46141	46200	52186	56899	55078	48406	44877	43684	47780	53943	53383	72284	59250	12958	16763	14453	14422	19156	16443	20538	18679	10914	12101	22391	22489	18433	20045	23299	21338	16656	17770	20417	23429	18685	19097	15901	24321	21752	18175	21607	21861	19909	19866	19744	15164	19857	17422	16674	14182	21698	21191	16634	12537	21195	14494	17415	8780	24846	22665	20498	19153	8317	9328	1	1	7830	1	1	1	1	1	13350	14683	1	1	10117	13273	1	1	7301	9179	1	1	14903	15872	18823	21676	8356	7751	19338	14632	19890	16996	9579	1	14564	18579	6847	7138	15921	16060	1	8537	15316	16156	18549	16779	16668	16797
1034.9943@0.8485047	1	11987	14708	1	14215	9852	15060	9035	21867	9014	14451	14221	26157	15984	11197	27028	13796	11226	8442	17824	15941	12517	19572	9488	19673	9503	8727	13019	13580	19113	14523	14019	7747	9302	7746	25540	17065	13205	10012	14083	10749	10114	22047	16562	8398	9848	13984	9184	8365	1	1	1	10074	1	1	1	8161	11069	24703	13919	13411	29466	11176	14170	1	1	1	1	1	25708	1	1	9201	8588	11523	13954	11564	10714	10968	10093	12140	10651	11562	18509	8400	16521	23793	17571	71134	12812	13609	11949	1	1	1	12821	77843	1	8933	8491	8281	7068	1	1	7948	7182	1	1	1	1	1	7039	9020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.5493696 :0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56753	60642	52407	49970	253574	246943	91972	86801	61142	58478	32790	35033	124438	132888	44147	37738	70375	66946	70825	74674	79279	93598	163598	149481	191767	199930	45674	47011	328791	339918	50679	238946	151652	125864	1	46641	250477	246346	163241	180818	104317	101325	283185	310575	67592	75143	85739	70969	51860	54795	78167	77224	65696	62202	62562	95625	74833	73642	41095	56633	91716	88561	60272	66577	49151	52255	85008	81162	47760	47419	69536	52232	59018	45896	126982	92059	144737	128684	61763	59590	58948	58355	17641	43042	60794	87607	49576	57513	49645	53276	57740	73145	42894	16950	22635	98066	67571	29180	41875	37788	87416	85581	65703	67289	48470	61388	81878	83237	77758	70951	182870	189451	121699	128812	219105	215633	75397	71678	130028	121464	59153	60791	89968	87771	54432	56551	153392	150573	296579	300523	75033	76778	256469	289698	191808	185035	66009	70180	174808	180633	59282	66001	132725	135795	109346	115159	116847	125281	186227	210151	196644	193346
126.0321@5.7419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32348	1	1	1	1	1	40198	43165	173789	194283	120129	53817	30682	49436	1	1	25610	59991	1	24660	72078	67002	53456	42296	55350	58079	1	73294	128037	55329	104358	51563	59092	1	1	1	87219	226870	33100	39325	29298	111440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
599.9458@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24786	21734	1	1	1	1	1	1	38467	38134	1	1	1	1	1	1	1	1	23448	27478	16792	18219	1	1	57827	55714	36355	32168	33581	30950	1	1	34394	39067	22740	20696	1	1	15783	17463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.1894@10.300001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10123	12694	48737	17341	13469	10578	7613	1	1	1	1	1	1	1	1	1	10156	1	13072	9022	10294	10290	17690	8097	1	1	16626	8175	1	1	12298	11310	1	1	11105	9621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
295.811@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34205	34006	36184	42110	46997	49260	50511	39334	40149	45417	28384	35192	31888	36536	13029	10266	18713	16655	35883	45849	59309	57905	47892	47739	40481	46259	39103	29335	25106	23396	29342	29629	28784	28886	29065	21616	27512	27879	31186	28102	32650	11867	35393	38674	25554	15801	23970	37068	25585	12039	36064	34842	26855	31955	24845	33619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.3376@11.990998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39721	1	39813	37916	102813	25443	53026	41831	1	1	99149	39322	200759	51982	35001	1	27960	1	1	1	213065	186683	2657091	843152	239091	98707	77003	51600	62576	18548	29471	47638	88157	42610	1	1	281386	63988	216461	40875	71421	23271	328270	154611	28589	22438	562588	97558	1	1	273274	115376	1	26349	206751	35459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8713302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69568	74710	52521	53813	57938	63005	74214	60356	62572	66918	50666	49919	48714	54565	37249	41474	70458	74560	74187	59771	47381	47908	36650	35551	54696	55903	37378	49010	44577	36617	38104	45450	53044	42853	25885	26485	52469	48772	51056	55138	65894	65978	54722	58330	55126	57063	62411	70269	72322	71406	52069	49381	66558	64809	78933	83193	7259	1	9498	6876	8120	9381	1	11242	10179	6627	10562	10542	10750	10746	8477	1	1	9199	1	1	9390	8503	12105	8875	13912	1	8908	11297	7996	7952	9802	10545	7021	7249	8348	8051	7717	11976	1	8261	8045	8274	7059	1	9188	12341	1	1	7820	7959	1	1	1	1	1	1	5855	1	1	1	1	1	7319	9361	1	1	1	1	1	1	1	1	6504	1	1	1	1	1	6831	7438	1	1	1	1	1	1	1	1	1	5553	1	1	1	1	1	7207
240.0703@14.989006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69009	35900	26457	10495	1	1	1	1	1	1	1	1	1	14560	12449	10033	11820	11242	13768	10140	10005	11359	1	1	18521	12185	1	1	9295	1	1	1	572839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15522	1	14445	18381	12864	11482	8795	1	10063	1	6579	1	9360	1	1	7860	1	1	1	1	1	1	1	1	1	1	1	1	11095	9149	1	1	7668	1	1	15774	15033	11796
C3 H2 N3 O S3 nullnullnull 1.0986893	19721	95146	131775	1	1	1	16075	1	17183	21179	13698	13877	45549	90121	44158	71037	19001	1	1	37539	11912	1	24414	150815	120531	1	24684	1	157000	152926	121395	24380	102741	7655	9554	22008	22009	26723	17060	128934	26953	25627	142951	144112	180661	209782	17357	160942	256629	197665	15761	154100	124743	19434	18835	26778	26470	142762	60356	85600	140108	83172	194612	217676	119208	135964	55103	75359	249781	46377	152421	189892	65809	12639	124921	103343	100495	79143	1	52960	83505	211375	211458	83182	94875	108622	124210	122343	177691	124113	187668	188532	571762	201615	224214	213028	199563	205524	63169	102210	104549	211446	102833	95433	73412	77547	162279	11127	104721	116568	77351	109130	1	26350	262468	267523	259555	275070	275048	276607	261684	78390	278957	268365	265657	262301	273457	192941	257450	163994	258355	175919	258813	257896	159963	194372	270285	256296	262383	259075	252503	245332	259480	269907	269645	258824	273358	261430	277203	275453	258170	254552	285357	274541	275134	266272	276479	276284	276487	270284	268662	253485	277410	282687	305493	316805	293785	193799	154809	1	590130	240166	217684	298849	306537	97432	311837	304638	1	257415	138405	279436	298573	174664	149776	267195	1	222751	300537	178864	292182	284652	292991	303957	261790	303516	242513	89303	313766	207999	288111	315386	329256	171037	314884	169006	195680	311707	332051	239601
L-Serine	131797	133030	132128	144476	103905	99171	117301	117444	120979	125279	98167	95226	99113	106074	126125	118059	121034	115860	105072	101247	93984	100836	158662	160840	112608	116171	123459	118631	145370	155056	20720	24292	19316	19727	16103	16320	7740	9052	22622	23464	16212	14269	13274	13779	29052	27904	34467	32650	9870	10797	9708	13442	24864	24460	1	1	20350	18728	31811	33740	44821	45534	43973	46371	22157	26227	27462	28175	23591	23054	65366	68840	52623	50709	42851	43569	24351	24950	35652	38298	56877	66830	51101	52829	26109	26376	55902	56832	61413	64865	71881	74838	68658	76123	66923	79216	69963	69883	46854	51942	76117	75858	50864	55282	76648	76854	20723	21728	66812	69438	50446	49529	74371	63164	11351	10633	8408	10252	11519	11406	16184	16725	7099	6830	6429	6907	12099	10208	8712	7348	12364	11212	11352	10789	15885	17085	14962	14089	14842	17941	1	1	21254	21619	8966	10038	12367	12067	10498	9436	1	8217	9564	12005	16998	18288	14564	15231	12903	14197	8007	1	13924	12258	39684	36500	50851	49962	62127	61640	33864	39793	147126	153663	40038	44149	78878	80597	40929	38695	52287	50956	34946	35339	113396	117912	154597	159850	42013	41435	130916	124164	140705	141687	45185	46898	129231	124797	49554	53565	88590	82411	38768	39353	109878	110115	124051	120042	141229	140076
C42 H59 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19002	14609	16877	17419	13559	16126	17759	16433	13548	13475	16161	15688	17251	14945	14914	14498	12179	12905	18217	17422	9041	18485	12496	14182	16377	17537	17333	19105	15990	14653	20190	17458	17895	18438	19962	19205	17265	18934	21786	19176	78358	21016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31783	34860	33365	35980	32121	25948	30105	26891	9707	16074	29307	30494	32792	31304	26703	18345	17853	18083	16321	18278	15139	16089	13438	13491	15050	14572	14004	15270	12758	13386	17164	14327	15583	15366	14154	13979	13831	11507	13558	15857	16498	13607	17449	16589	13453	11692
Phosphinothricin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48300	43577	43328	44073	49060	51591	39383	37921	38602	36493	44598	43514	67761	80869	31697	33841	35741	32913	33138	36429	38682	45998	64528	61027	75080	69747	44227	42513	63555	57066	57166	58143	77905	78475	38823	53693	90893	83961	66573	75605	37498	35764	62307	50650	53891	49081	47056	49474	38236	33384	41378	43251	45685	43268	67256	55773	12088	14060	1	10135	13490	11287	12536	17791	1	7152	17891	14948	10553	11210	17280	18797	8853	14694	16011	15647	14344	13388	9937	10717	15380	14371	16755	14903	16703	18745	9457	11358	10693	10042	1	6155	14845	13072	9057	9754	12137	13703	1	1	13354	14062	19215	21316	8546	8150	14913	17673	25165	27254	1	6841	1	1	10823	10486	11560	8879	10036	8562	52961	49401	23930	25519	19781	23659	23130	15944	22881	23960	34904	32527	23390	22502	14864	16958	1	1	14884	10843	1	1	13994	13709	1	1	12880	11361	32928	25365	8232	10330
C17 H24 N3 O18 nullnullnull 13.398993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31773	90857	60268	74847	75529	60471	108577	37963	54583	78861	83999	51855	141733	58851	19766	18351	36351	37382	77628	46205	17090	16482	119536	1	203569	120587	54733	26180	151939	23798	154765	21645	173093	47395	28179	27821	86745	143693	94886	43792	23755	1	75209	34908	74386	20147	108225	38229	25944	41743	55402	31301	67353	24100	107146	32049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DL-3-amino-isobutanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71196	71593	87385	85774	123571	124492	61581	62567	75505	74063	65680	67173	155454	154747	63376	59295	77222	73245	52647	52480	92738	99590	123841	121823	99458	102911	80747	80347	191672	199126	158836	167291	184498	189692	88318	86733	189206	181974	159006	150852	85653	83157	137460	131614	117955	117743	123050	118948	53208	53713	97655	99162	87484	83633	129746	118527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
170.0957@3.3399978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12914	14218	12723	13807	13956	16836	13567	14997	16546	16280	12265	1	12740	24208	17208	31219	28965	20588	23642	31478	35167	28103	30957	35775	26380	26492	22299	15115	16814	21214	21567	22959	23928	15716	19137	43848	42149	41744	44441	45152	48721	48528	42115	45065	48530	49629	50788	51639	47569	50816	52794	49473	53081	64282	61509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.109@6.817001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	82300	53858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12189	81696	74600	59763	1	83146	1	1	1	1	1	1	1	1	1	1	1	1	83016	1	1	1	68221	1	71946	38881	1	32004	1	1	78952	98459	1	1	1	65310	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
563.3222@9.680758	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20684	12840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8195	75633	29459	13736	9420	1	1	1	1	8188	9905	1	1	1	1	13961	1	13962	8583	1	1	15428	11065	1	1	23112	9591	1	1	1	1	1	1	19917	10691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10384	12045	10569	8562	1	1	1	1	17170	14272	47623	35632	10168	1	11572	9348	17746	13537	1	1	14023	12777	1	1	11771	13077	9248	9045	9918	11751	11702	12929	15730	10742	1	1	39697	10765	1	1	16907	13474	37002	63327	17191	14513
> limit nullnullnull 12.25	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74653	77291	81893	81747	484515	127842	74461	80193	99572	44815	444661	72693	65259	207333	38633	48380	39577	131251	15159	35077	57995	47089	47357	54318	64822	35627	236648	56615	44842	31418	42416	47332	39661	35256	33482	142424	42950	39219	41791	44545	62114	37960	49046	44114	59364	49254	54503	119902	41667	49012	37484	46612	49842	79185	72534	114631	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H12 N2 O9 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24201	24362	26245	33308	50630	55050	17433	14838	28245	26272	38267	40435	68458	67333	13892	13542	17957	17051	13095	13898	18439	19891	61073	60043	55517	48692	39348	35125	48237	35370	46291	49873	60039	68904	22379	22092	54940	55737	59621	54136	13911	12215	49668	47263	21766	21062	28676	26617	26970	24267	23786	25658	23825	21442	31855	28383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
291.9123@0.8751574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56567	61764	59282	53135	64045	62894	56761	54387	59082	56120	44623	52718	64380	58596	40116	39676	61326	53448	57984	46837	49691	50048	43955	42881	46412	48369	41986	39853	44227	39265	46616	48402	50679	50623	41436	42444	55387	50730	63078	55792	45863	51879	53499	57481	51920	58220	51068	49533	48586	51385	54204	52210	50485	49001	64057	56254	43736	43927	44464	45269	42630	42167	42587	47422	57053	55886	43897	45467	39124	43090	38121	39531	44575	45424	36243	35720	36743	35945	47322	43724	40198	38496	47339	45248	41517	43040	47883	47349	47416	45628	52303	54631	44313	44765	49314	45116	29159	27766	46522	50055	33548	31502	37620	38510	39625	39609	28771	25210	45810	43256	44874	45683	65443	61900	35855	37070	54533	57955	39369	39477	44559	46922	41270	44790	48389	46585	34219	32755	25259	30198	47660	50955	30983	30075	37731	36945	44792	41296	33177	32979	46483	45113	36246	33664	30355	33137	34892	37571	29551	25998	29176	32939
411.7479@0.86703444	33273	32251	31333	29652	48337	38066	32145	30734	28725	32285	38635	39546	40884	35139	33943	33993	30565	31954	31312	33245	43814	39674	26550	21101	32270	40538	35263	34097	28670	24882	67886	59427	67109	67635	62318	68762	61581	62460	64563	55316	58973	59458	61358	58248	62369	70281	57931	57443	74350	79418	31704	33450	57667	60171	68718	77921	55939	52760	38507	37333	35886	40514	10295	10002	51508	54370	48689	51349	54036	56839	11507	14663	27155	30453	56210	55801	41859	46464	37606	35273	13730	12056	18719	16371	48518	50300	8578	9547	12037	10516	8055	10930	19057	13843	10279	10426	10589	12117	44641	50631	11785	14717	36642	32992	31767	36269	70555	73856	35976	33823	40713	40424	30250	35412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.0195@0.89199984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11285	12614	10827	11341	37780	40216	7795	9102	1	1	1	1	42939	39520	1	1	1	1	7937	1	8005	7960	32365	28719	23819	27102	1	1	52581	50852	44306	44223	34196	35727	10594	11789	48713	51514	35750	35601	1	7128	32418	27161	13979	13837	12827	12679	1	1	10774	12522	10809	11214	13595	14644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H8 Cl2 N O3 S3	43699	38819	43203	42867	33509	31503	43722	44324	43175	42172	30398	35741	35090	36885	39691	38589	43020	43823	38629	37897	31920	27747	46927	48712	39898	39047	38235	41388	49522	49407	15892	15234	22559	19224	15195	15289	19150	15564	13135	15686	15276	16679	17722	16264	14430	17285	16216	17679	17210	17459	13574	13169	20600	18432	19808	19649	24653	22706	34141	34785	28229	29838	41710	42523	27327	30362	30496	27259	32934	31709	45429	43606	41827	36993	31820	38027	35200	18852	22490	18915	38700	35703	37962	40615	33900	28747	50084	51834	47565	53749	53413	58113	31296	51726	58781	57132	59841	57730	41921	50958	54578	55810	49705	47131	51257	48352	34385	39397	44134	46945	49123	46450	65860	50634	11129	7275	7117	6406	6790	8316	7294	6604	6769	5779	7403	9016	9943	8673	8081	10116	9537	7380	8421	9273	7892	12607	13900	6501	8326	6468	6768	8485	7265	6958	12006	7151	5850	7206	6919	7649	6480	7218	6300	6064	9101	8085	6235	10291	11448	9890	9093	8437	8033	5706	11231	10209	9616	9825	8871	9276	8085	7350	13264	12104	10362	9056	13223	12284	11196	8424	10312	10864	8370	8965	13514	15059	16435	16582	8472	10026	13981	15895	16114	13825	9800	9244	15069	14794	9772	12207	12903	15861	9947	9643	13062	13482	14119	15321	12877	14098
487.8832@0.84230715	94390	103242	97315	90862	74615	80543	104094	107059	102731	96865	77156	84650	89201	90798	89349	82476	94285	95134	91824	90639	71250	71930	108216	101304	94663	99110	93191	92821	96746	106818	39971	32982	33925	42025	33210	36923	35673	41885	42614	40743	39484	36209	41077	31940	40419	36619	34978	46803	33097	31021	26545	27038	40082	44984	29920	42592	44649	44309	61444	52981	59956	53516	75589	91674	46229	42928	50958	57404	41054	37481	90208	94906	58935	57160	57639	57750	55334	25814	33710	43850	64044	68189	71189	79670	42448	33902	88965	88791	87271	92526	98393	92261	82872	87970	116810	114163	109436	115326	69372	77994	107829	102146	90955	81624	85178	80442	51472	48285	84667	84760	70057	81346	108290	88189	1	6601	1	11996	10839	6880	1	11995	1	1	7500	10900	8885	9569	11180	7921	7775	1	9492	8159	1	1	10012	1	8098	10265	9381	10759	1	1	1	10612	1	1	1	1	1	10153	1	1	9769	7878	9444	8815	13493	14739	7010	8985	1	1	7282	1	1	6447	8306	7262	1	1	14174	12170	1	7920	1	1	1	1	9001	7907	1	1	14626	14043	19305	16534	7701	7953	13891	14495	17582	16149	6168	1	14324	16467	6190	5870	12198	12213	6231	1	12004	11561	15295	17854	11631	11072
221.9373@2.8503616	47507	27282	18357	1	1	22529	47617	1	29656	39041	19829	34575	28300	51875	1	35882	32633	53456	28422	34227	38728	1	47001	169992	177371	27182	22484	34702	63504	1	1	44679	1	31259	54700	1	34206	1	61325	34643	26178	34561	51864	1	28065	1	1	79727	21823	1	1	39580	99905	1	1	17759	49110	145398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11662	16809	27676	1	65081	65746	66331	106800	1	117913	42301	56299	49956	39249	72572	67689	35834	67204	1	51111	44020	35531	94117	57445	47432	54455	128394	1	40793	53772	47924	36558	44045	1	1	1	57424	114700	20918	31600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
787.7031@0.8726311	41104	47562	42245	40527	38799	39256	32581	38258	43757	48592	45923	37343	48680	44098	25385	23031	47561	46738	35760	34453	37004	35520	24878	26012	42392	40604	38267	35519	37834	31498	37649	32441	49797	52452	43271	37614	39709	45030	32750	29145	48959	40409	24926	25518	17992	17968	23034	28446	26967	27089	12638	15220	27901	31594	42672	45612	55039	58115	62968	67477	56039	49484	70126	63840	61980	61747	51438	52762	52771	44854	73857	74491	42918	42401	67012	69614	61802	57827	47900	41260	43049	47521	55597	66105	43443	39365	73920	65614	63505	65205	61816	63500	29355	29789	68488	76956	60887	68826	63541	64719	69861	62087	59430	62135	66988	61687	61821	71431	49327	43494	52126	66028	68389	74301	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 1.6220456	61852	1	25831	21589	1	1	1	1	23523	1	1	1	1	1	14868	1	35319	23917	1	19033	31131	15745	18955	20405	1	1	19987	13726	24653	15538	22118	19551	11817	17055	18865	26860	1	24110	22777	20781	42952	21403	14368	1	25649	24659	21173	29727	13251	20270	1	1	1	1	1	29346	1	1	1	12120	1	14479	1	42342	28848	45323	1	1	1	53224	1	1	15374	21678	16306	17541	14771	17923	45368	12906	10195	21702	23479	1	15750	22462	19500	22909	1	26431	30233	17673	1	23059	1	1	16113	1	1	1	1	1	1	1	1	34603	1	36494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
155.8884@0.87558955	48437	46909	48394	45841	62985	60871	43621	41349	45603	48195	54520	58084	58280	53197	49225	51369	44529	44704	50281	49116	60175	56275	35695	37901	47791	52228	54233	56783	43227	41756	88705	89722	85781	85804	93906	90166	92171	90911	88739	89611	85295	90666	94364	102272	90283	94174	93089	91908	94341	91430	68659	65900	88823	79762	102882	99360	82993	84614	33496	35448	40418	41717	18241	17895	52917	49562	46187	48095	61044	60993	9733	9170	41334	43911	57285	55637	51328	43229	34356	37835	13535	12086	19287	16370	52291	53714	1	1	8236	13125	8898	11378	26221	23651	12268	10498	17086	19202	56449	53688	22759	23660	39052	39693	44546	42842	73692	75246	44538	45565	49384	48279	47314	42484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
741.7223@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39833	44897	33514	35703	55166	39769	27161	32994	32359	30359	33347	19284	54375	58010	28753	23726	27877	33710	35157	37109	27562	32971	31663	43038	43687	42092	21857	25000	36594	53058	52888	44439	38896	52273	33959	29663	57574	53695	56699	53497	30759	26069	49540	45787	43191	33491	41151	37378	29011	31220	42527	38407	26857	40434	40928	52269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.8769@0.85599995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43433	40518	43412	47339	35890	37995	45740	52456	47183	49554	40360	38033	41331	40003	28437	24756	39687	39914	44557	46938	37216	44007	31660	34929	34311	31970	32482	34542	25637	33623	34573	34079	34410	32794	16609	26246	36338	35467	35632	37756	45707	43297	35327	39340	41946	36192	36426	45269	43216	36487	38456	34763	45943	40915	52411	47792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.2957@10.061002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11023	8845	1	1	1	1	1	1	13831	13295	1	1	1	1	1	1	1	1	94165	37316	20923	16693	1	1	10676	10869	15153	14519	22098	17156	1	1	21517	13567	22375	18264	1	1	19413	16960	1	1	9746	1	1	1	10087	8722	6887	1	8772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
256.9093@0.8677265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100026	106647	99687	99877	139530	141107	108106	106500	104618	109892	88936	83085	157517	166624	70188	67700	90473	94628	97424	110838	90964	92626	120906	127230	119835	126609	85731	78894	147144	138297	143061	151994	141699	144865	97317	94871	159926	157250	146512	148600	97389	95373	132621	131970	95151	105320	107433	103366	90021	91053	92785	95624	96333	98634	110067	110107	1	1	1	1	7704	8750	7554	1	1	1	8698	1	7073	7558	8583	7676	7224	1	8360	8556	1	8511	7081	1	1	8763	11246	9226	6351	1	1	1	1	1	1	1	8485	8292	1	1	10783	11421	1	1	13535	12245	9057	8579	1	1	1	1	1	1	1	1	1	1	7696	10863	1	1	1	7061	1	1	1	1	1	1	11579	10656	16010	16656	1	1	11577	10979	10979	12012	1	1	10595	10826	1	1	10434	12176	1	1	8513	10272	13090	12897	9965	10554
1173.5673@0.9799997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10230	10247	1	1	1	1	1	1	31955	31709	1	1	1	1	1	1	1	1	19647	21621	12249	13410	1	1	55185	57579	30005	28844	26698	25227	1	1	28352	27523	18222	17450	1	1	9173	10512	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
495.8077@0.87300014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21633	26220	17501	19290	35313	32088	26313	20621	26026	21691	18796	19300	48142	48461	12475	11055	20616	19931	22221	25498	21342	18582	37318	35237	31235	31899	19288	13612	55429	48881	36275	38044	39920	41705	15552	12318	39064	38881	29516	32232	21766	21313	27840	25894	21736	23737	21531	23037	24855	22206	18762	13015	19933	21944	25521	27573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.726@0.8705276	31902	29221	31209	33180	49656	49151	26570	31125	31073	32767	41166	50542	40903	43261	33941	33518	26861	28642	34503	33017	52107	50710	27730	22180	36983	39138	42434	40794	29156	28102	110273	111176	107842	107985	115865	113677	117143	115485	103126	103389	101315	98306	117242	115249	101135	106571	103869	104382	120857	125150	64166	68277	94074	98026	135172	141550	90299	92955	27217	27446	30168	31633	18271	18928	40587	40439	42327	43086	53057	51443	21897	21304	29773	27610	53005	54702	41208	32327	23179	22277	19346	15968	17627	18368	47040	45420	15380	15880	13550	16386	19512	17850	17474	16981	15296	17210	18556	20936	47630	43000	20197	18605	27882	27632	31733	30718	68336	68995	30516	30148	34885	32929	25294	32683	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.849@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31957	26552	36094	22695	38541	45237	26421	15753	20211	25726	24757	20905	34479	38685	12518	11389	12975	15531	23571	45291	50856	40313	33145	37987	32991	30747	26142	16450	21248	26538	30629	23717	32423	30660	30311	19664	28608	28190	29013	26091	10255	8760	30623	32906	11999	20661	17652	20327	9369	13189	25580	31109	28089	19514	28488	32378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Nabam nullnullnull 1.032999	23746	20474	15932	16159	11875	12533	13098	12882	16084	16875	15822	16892	34232	19599	23191	15986	110289	23341	28784	15649	18539	24719	12260	11933	15597	13702	15132	13027	11992	7642	30909	35405	40185	45575	44714	47675	34600	37371	52196	57718	38650	23099	49052	48009	31823	32390	59920	55446	41473	40153	29620	33721	104383	87978	46672	36313	70463	80018	42934	46140	33841	33961	15879	24498	15590	19077	36786	33112	26010	30239	27295	24904	53363	36823	43881	36262	39993	46992	42805	42556	38339	27680	43761	38246	35346	31118	9274	13746	23461	22693	28028	15330	67189	45850	39285	20582	30236	33351	48270	42907	39909	36632	43606	42975	41508	38239	42375	46411	48422	46860	49018	46074	1	36062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Citraconic acid nullnullnull 1.2718717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21478	92434	42530	43502	138451	142218	49937	45267	63635	63423	1	37344	50469	96032	21565	22582	22729	1	1	1	99101	102034	342471	1	85635	90400	1	1	189382	192608	91319	110313	155522	105982	50525	26352	121709	112815	113179	109060	38290	43496	94282	83765	20784	1	20698	69653	57174	89437	13975	44295	50466	78084	1	79166	22522	23661	19940	18848	25358	30151	21982	24496	17414	17481	166178	23347	23956	21967	27895	29166	26222	26005	30956	28378	26142	28956	34084	22805	28990	29791	20709	27753	25158	24618	1	194059	24866	24085	29029	27184	25103	26607	32024	31833	29029	16267	18665	21883	39103	36773	24245	24780	33888	34431	23860	21898	22311	19518	29599	32055	22331	16561	39519	40645	20126	20826	41441	40451	22055	18885	24841	28736	18997	18469	47621	45993	42152	42644	24290	27542	63581	60028	40715	42026	21860	21832	40377	40520	19694	20046	41854	37589	22241	20446	39593	36525	63232	54057	51484	47061
C6 H4 N O2 S3 null 1.3674275	1	1	1	1	1	1	1	1	1	1	60367	1	71072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	186454	1	1	203792	240273	230841	228483	1	271195	274537	232536	1	270317	1	173930	1	1	133460	203061	159015	1	1	252538	1006519	1	192208	82698	88004	148244	277070	1	58159	136720	153591	288127	288945	129078	1	22494	1	666471	940137	295784	122155	193060	155883	1	77359	1	167471	1	1	1	1	1	1	1	1	1	1	1686457	287330	1	1	82625	1	105399	122243	1	1	1	1	183110	285810	1	1	241993	1	171858	361873	416560	367709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0682@4.204001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20580	19965	1	1	1	1	19789	33671	31139	27781	19688	156644	13867	17067	1	1	21919	67444	1	1	1	1	28350	17502	36542	29554	1	19660	29685	37574	23066	13576	19119	182654	1	1	46322	55596	16492	65533	19859	104777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
414.8235@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71337	72092	62821	66239	65565	67856	79270	79406	79292	79039	64755	60503	70316	65486	51121	46001	81022	82335	81460	75487	56769	61028	46818	48766	52263	55503	57485	60100	60649	57126	55358	53932	59931	55609	35844	34813	60831	57441	57672	50098	75183	75340	56044	58133	63332	62918	73460	73894	74644	82420	58244	57805	70546	73737	80588	81106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1421.6583@0.85000026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6218	6790	6025	10403	9318	1	1	1	1	1	1	19624	19466	6518	6914	7517	1	5936	1	1	1	7340	8098	10758	9244	1	1	61612	59163	32007	35494	14212	13350	1	7919	13881	14484	9664	11750	6040	7404	9524	10040	5787	7840	6599	6141	1	1	8327	1	1	6092	1	7550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.8471@0.85409606	73860	77098	88733	77899	72822	71327	86851	78582	85719	78256	74906	70484	79714	78636	69688	65547	77858	82114	74891	80050	68322	65076	87008	83293	74084	77637	79401	71153	79889	80228	73330	77853	82476	82989	74711	82503	74941	76443	71656	72213	75431	79603	63763	67197	64066	63686	63811	67112	60238	63570	42907	39730	77656	75049	75329	79052	76913	86769	54933	54510	58717	58923	91753	90769	53770	49934	62536	56400	51130	48948	131734	124979	35274	33217	54830	50116	47662	65799	59057	57980	81143	81579	75416	76202	47950	47337	134696	133465	110511	111202	105756	108527	43886	44498	111085	113229	86536	87429	47653	44038	76968	78315	50111	47216	50041	53147	48289	48290	42659	49219	44596	43380	54618	53289	55809	55170	59317	60598	47438	48927	62040	63350	62941	61748	60551	57319	58892	62166	53750	56727	59543	61365	56875	57782	55652	56649	63898	61342	57271	60647	66040	63127	58258	57503	74620	68738	60948	59914	70910	66842	66456	62059	60840	66595	41127	38977	62092	65502	45526	46245	59782	57293	64225	62314	30156	27933	33582	34826	28784	30688	49920	51333	36231	30464	34857	35274	48352	47013	38499	36546	32360	33008	33459	37726	36300	35180	32679	35146	36195	34543	33780	31645	37411	37318	37354	35368	37306	33209	33734	35817	33297	34620	50912	54381	35261	33228	33693	32907	33896	34264
Oxaloglutarate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16842	18128	12822	14210	57715	52895	30132	32117	14377	15897	1	1	31564	32204	1	1	8330	13078	23954	21310	27043	1	41391	36591	61783	62979	10545	1	75806	76327	61920	61790	38942	34566	1	1	70233	70327	66786	66929	27101	28181	85090	87016	19878	22804	24672	16929	16699	14272	18887	24769	15252	16078	19126	21221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22251	19551	23824	25324	28226	27965	16325	19914	47181	46530	22194	26291	41981	41443	21729	22946	28560	29084	19595	19572	54268	51505	46235	46327	26918	26911	65647	66009	51084	54198	20312	22067	41473	40747	21146	19806	48608	46199	22961	27268	48665	44267	64693	61220	45695	47374
88.012@0.93465	145820	236814	173371	170552	168872	173101	192358	157337	181308	175241	143854	146105	159634	162407	155129	158373	173147	166044	160201	165017	130072	141467	185312	197805	171965	260650	163131	230929	177110	181075	120660	124629	138941	132756	136656	120936	138165	131002	98624	102832	135315	139094	105701	115799	84622	84295	103529	100492	111763	118800	88537	85407	112323	107113	141268	146570	147571	132641	96872	93191	91980	94370	87956	85981	108789	112909	48461	105693	101293	96795	75236	85407	117829	82167	116183	111539	121620	124722	101981	123069	79123	70283	92274	101827	109903	114306	73064	74499	85432	77557	85377	83536	123317	123334	106228	98476	112217	114020	130468	129094	117158	111341	125940	120619	127492	120919	138952	139852	105321	109609	123937	111172	120706	129956	125452	119833	130315	136762	142089	144139	143903	119039	123713	117445	119883	121856	106909	120573	115901	103769	133989	128590	98727	101903	115561	118251	131930	134495	123532	123976	153069	154572	112329	115340	152241	153658	122554	129924	155465	150417	156509	156333	132657	135810	88445	87984	121463	121663	165767	165495	115109	113886	120127	122572	87506	92718	79609	92634	105012	109886	123550	123155	157847	174547	135451	123103	99937	103853	105648	103047	125525	124294	89718	91175	176963	165764	121780	121595	125338	127774	139102	127621	177661	187723	122019	99143	158580	155839	109517	106393	159255	159926	89316	94563	172075	162369	169515	147035	175643	166195
4-Methylene-L-glutamate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12327	12640	16531	17950	15139	16740	11502	10884	9418	11704	8506	9908	28232	28225	1	1	15520	14923	16414	13365	26175	24444	30487	32425	28711	31300	15854	13174	26947	27757	25456	27290	27647	32029	1	9432	28247	27230	33835	32967	17035	20299	30317	28387	27623	30161	24984	26776	8867	8468	19287	17688	18682	18552	22005	32511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.0557@0.8939999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22593	21680	1	1	1	1	1	1	29532	31259	1	1	1	1	1	1	1	1	18132	21108	12043	11735	1	1	61310	60482	35627	38814	24578	26851	1	1	39680	36582	21814	20024	1	1	12921	14914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.8666@0.8696112	32859	33252	33328	32395	28276	29574	30327	36250	29346	34372	26052	28205	31341	30011	32771	29027	30627	31900	28517	30182	25738	25321	35394	32427	31507	32102	28210	30938	36015	37928	1	1	1	1	7325	1	1	1	10039	8143	6685	1	1	1	7508	8302	8487	10085	1	1	1	1	10762	12068	1	1	8953	8757	41646	42708	42202	40688	37646	46589	41882	38540	40238	37076	34337	35942	57370	52375	31823	28884	34498	38098	34393	38527	47025	49446	47178	43546	48944	43333	38327	36043	43681	42625	35417	40483	41715	43069	32619	31311	45475	43755	45451	41231	36577	33985	45893	42426	42591	41956	39711	44959	33941	30499	43031	44733	37300	39224	40976	43756	1	1	1	1	1	1	1	1	1	1	8532	6895	1	8202	1	8107	1	7495	9658	1	7340	8403	1	1	7210	7308	7004	1	7007	8422	1	1	1	1	1	1	1	1	1	1	8890	6583	1	1	1	1	8385	1	1	1	1	1	1	1	6526	1	1	1	9988	9843	1	1	1	6572	7077	6720	6687	1	1	1	8823	7431	11795	11271	7007	1	9710	9909	10827	9505	1	1	8702	8690	7003	1	7835	7981	1	1	8131	7714	7741	8136	9216	9646
Monapterin nullnullnull 1.3829998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55733	46742	56005	57163	124499	121595	42812	44576	55394	53418	21578	26650	94414	84384	1	1	41600	41037	29478	27824	42979	43218	80011	78888	131260	102096	1	18739	1	65745	107452	85998	63954	60042	1	16923	157567	158467	72947	78890	27170	23192	74094	66053	19184	46965	20367	1	1	1	67814	62739	58189	59163	74803	69931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H2 N2 O5 S nullnullnull 0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2004251	1924619	1967996	2013744	175715	1524392	195678	2044523	2114833	2102008	194434	2002772	1051147	1016806	3080288	3000597	3043138	3005727	2367858	1477091	1127678	1283548	918418	996634	1273223	1401716	1990976	2146640	1023372	1008052	1370333	1448280	190822	1492734	2513951	2575484	1753285	1814463	192430	199625	163495	164739	2336899	2294429	2787315	2843334	2824706	176168	3066495	169366	2816235	2826728	2911278	2885457	3696990	165592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
270.0331@1.2499552	24694	21126	34747	34065	22602	19095	31954	33176	24742	23737	23923	20426	24279	20107	17913	20701	31444	28232	23208	24400	22548	22316	26150	23793	21097	23116	24850	22269	35776	33464	1	6477	8099	6450	1	1	7084	7098	6936	1	7402	7318	8053	8566	1	1	7170	6849	1	1	1	1	8987	10519	1	1	1	7281	23393	25025	26167	29407	49258	47748	17431	16696	31960	31074	21819	24599	79759	77858	12783	11938	18978	16838	10381	10838	16300	16115	40502	32245	30397	34070	16280	18453	52267	53019	41516	43817	60150	59560	20706	22600	51509	48475	44570	45674	20634	18137	34765	36976	21840	20803	30709	30604	16812	14298	19817	22960	21827	18740	34668	31053	34111	35714	30639	32964	43362	40743	42003	41990	27618	28860	34613	39224	38046	33647	41107	41269	40953	38901	43680	46399	38327	38379	39808	42973	46162	43786	34733	34492	37905	39633	34725	31262	29997	29651	21488	19439	35826	40973	32000	25678	38242	41727	24944	25280	46740	47259	39295	43674	28569	29919	1	1	1	1	1	1	1	1	6796	8503	1	6631	1	1	1	1	1	1	1	1	1	1	10651	11606	1	1	1	1	8599	7919	1	1	7726	7404	1	1	1	1	1	1	1	1	1	1	1	1
553.7792@0.86521137	66681	64968	62693	63359	66121	64343	58518	53877	65246	68591	63408	64017	53340	69316	46600	48087	65735	59453	56535	57788	56330	51169	49186	47123	63762	66143	49514	56208	60764	54787	77062	73539	88530	84594	85402	81897	83403	93220	62865	71224	82822	80459	71021	67696	58975	55611	58085	65130	74899	78726	36389	32442	67261	65645	94550	99933	93051	92582	71951	72675	58212	55736	63763	63210	72262	73098	71776	73163	57232	54323	64983	76016	45246	37877	75057	77358	83655	80094	59020	56500	49275	46851	60948	57158	55666	53200	78000	80870	63883	61938	65681	70292	27409	29080	69923	69852	66326	69134	67770	71371	67024	56018	53770	60345	64678	67690	78596	77017	49151	53156	70476	71853	82380	77943	48342	49713	61712	66446	54119	52003	70765	65133	65055	64085	59501	59659	59741	60600	48343	48796	63699	64216	46689	45557	47839	51411	67354	65695	51282	54248	65608	70387	52793	56087	74860	72610	57872	53967	77773	76108	69294	62103	60003	66606	31438	29961	59993	65898	52421	56930	46364	54949	63600	59848	27332	27427	31259	31217	28866	26976	52133	51358	26479	25365	33309	33815	44498	42699	31486	35697	34328	34319	33726	31949	30343	31588	30845	33965	38754	34242	22860	25581	38890	45182	32873	31968	30266	34224	30894	34118	36301	29404	43545	46618	33930	28541	24670	25771	30701	21868
475.7782@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61355	59415	62742	57937	73453	65452	70815	66059	70094	73001	62890	67288	66707	65200	32993	38103	62131	58189	66667	78408	66915	73720	64085	63841	66119	66443	64285	58728	50493	56335	57802	51305	53215	54581	38691	35975	55856	64579	52690	59858	58765	53544	63205	57276	52537	48458	64210	51898	61395	56404	53189	58690	58611	57656	63185	65591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
519.6146@0.8684772	40193	40275	41211	44443	47833	50115	41043	39539	41825	43733	54030	52967	53281	54432	43486	45873	40623	40396	45271	44157	51056	49822	33438	34968	44682	49963	47232	51788	40645	36085	60194	57299	61954	62913	62008	63684	61980	67660	69287	68632	56374	55361	60918	60082	53515	56644	66200	61087	60717	59360	36671	33372	69830	64844	68861	75782	58352	57900	23404	22040	25852	31346	12411	14384	36105	39071	33871	34889	45502	38268	11997	9318	23374	26116	37904	36371	31276	23954	20284	23741	9522	12020	14906	13071	40537	33662	9582	9704	11112	10766	11305	12575	17736	13069	12074	12119	13428	15426	39344	33216	16950	20762	26668	29073	28510	28818	44522	40935	28408	25914	27859	29712	21135	28313	29517	29405	28935	30522	19734	21797	31701	28941	26144	25349	31246	31443	30889	28390	33105	29774	28738	30991	32419	31415	34271	31543	33344	29229	31663	32652	35977	32585	29656	31292	28371	27642	32283	29071	30638	30092	32052	34945	31812	31172	21072	22000	27174	26109	20510	21796	31181	33826	28103	29081	19081	17663	19545	19988	18242	18239	24392	23660	21618	20842	22066	23546	34152	32885	22341	24426	24878	22732	18329	19377	26345	25899	21772	19567	21763	21015	25718	24692	25288	22123	21501	22341	20470	18729	22822	21765	26106	23152	32633	34839	25390	24844	26404	25747	23048	24083
412.9589@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13449	15088	1	1	18941	23085	1	1	1	1	11227	14756	44969	39606	1	10094	10429	10940	6626	1	1	1	19131	22344	15808	18238	10893	11364	64154	69768	47218	49107	56484	57693	12629	15016	59651	57753	40990	41343	1	1	25573	24013	9807	12419	8789	10149	9928	10326	11897	10199	13971	11683	6729	10201	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
310.0247@0.9090002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27633	25929	1	1	1	1	1	1	20540	23371	1	1	1	1	1	1	1	1	20180	20867	11499	14224	1	1	59113	58439	31704	32629	28330	27147	1	1	25911	25875	21836	19312	1	1	15126	17968	1	1	6316	7718	1	1	1	1	1	1	6269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.7833@0.8529987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50345	56207	55064	54994	54406	69459	48910	47323	61890	61890	48729	45672	56842	59341	23799	29794	42143	33275	40821	48048	52518	45237	43897	47434	57555	53309	41374	40994	54628	54976	45318	52690	49226	46596	23305	23407	51060	59141	45678	40911	37930	33111	47242	50081	22951	39592	37139	29688	30429	27346	33484	34629	33170	31409	40769	36981	17342	13303	18871	17777	11261	10396	16788	18997	15306	15698	13939	11890	13044	15856	12996	13951	17558	14053	17076	14786	17133	19294	16463	19441	18158	15934	15809	15430	13685	17177	20128	20700	17605	15665	17922	18322	16348	17044	16618	16411	10923	8887	18239	16839	11760	11699	15590	14991	18042	20392	6826	7595	5947	7726	7229	6735	13435	11257	5927	6366	7449	7524	13305	11071	7873	9886	7531	6695	10724	8423	9449	7937	7560	1	8115	8590	8817	1	8312	9138	8979	9340	8156	1	8490	9812	8442	9629	15716	16093	7896	7886	5565	6901	9265	7623
> limit nullnullnull 1.1839991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24246	25928	33759	38552	60753	59175	29216	27456	38388	36669	26821	28079	61220	65448	9434	10408	23428	22781	25130	23187	33250	33114	49815	49723	33596	35963	28032	26275	52073	54559	50764	53321	54127	54140	16814	15719	57741	61268	40387	42196	27312	27227	49631	50444	36091	37766	34475	33791	20469	22159	14644	15909	21450	18761	43369	43299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
545.6346@0.8619449	53889	53874	58354	52505	58996	51307	51556	50309	45792	51844	60305	54335	58711	55923	46364	49117	54537	50668	53210	54878	49498	46304	45618	46833	53680	57075	59304	53105	50060	54038	39101	40289	42133	38579	36851	36042	36489	36481	45810	40593	43038	39803	29678	28959	28474	39674	40291	39769	30379	29275	21067	20226	41541	44995	31547	30631	47203	44150	32146	35548	35717	39646	21077	22476	40268	39481	47239	41604	43285	41831	15931	17549	32205	28018	48831	45005	43001	29694	30960	33827	19748	16909	27399	19420	41245	40233	15477	17576	22062	16901	21807	21436	24431	26471	26574	21794	32709	29547	44838	46886	34453	31840	37331	38840	38952	39032	47470	41742	43385	36573	42500	40792	37642	42361	17170	18853	13747	16224	13819	12867	18258	16983	15163	16343	18189	17817	16014	15516	18319	18530	15921	17676	16995	18625	17998	17989	16413	17703	17598	16297	18189	15314	18223	16427	17002	13262	14837	17577	14440	17294	17715	15187	16574	17004	11491	11986	16029	13875	14245	14855	18267	15776	16753	14259	11367	11114	10081	10940	7953	10332	12006	12569	14054	13500	12380	11295	16570	15443	14133	10739	11282	12248	9937	10178	12641	11898	13095	12371	12462	10789	12645	11774	12715	13569	9603	11457	12491	13101	9063	12987	13797	11055	14314	14535	10959	15043	11111	9767	11897	11914
820.6082@13.3888445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25001	1	1	1	1	1	1	1	1	1	48067	36303	1	1	1	1	43994	32638	1	1	1	14751	15269	1	1	1	1	1	1	1	1	1	102163	1	34323	1	1	1	103330	1	12841	1	35394	1	1	1	42780	1	1	1	59949	1	1	1	16046	1	92039	1	61140	13789	1	19231	1	31167	1	101032	1	1	1	97442	1	1	1	105954	18489	1	61560	1	80593	57091	1	19496	1	1	1	1	1	1	15038	1	1	1	69064	1	1	23690	1	51114	1	1	1	1	69136	20246	62786	1	1	1	1	1	1	1	1	1	1	1	1	28623	127662	1	1	23553	27043	20607	65668	1	1	1	1	49093	1	1	1	1	48467	1	1	1	1	26495	48857	1	1	1	1	1	1	1
611.7389@0.85990286	54334	45392	60461	56243	46057	49773	61842	51425	58675	59480	47977	46023	54000	49070	46233	40860	48818	60862	44082	47054	40333	46476	52599	52370	44965	46338	44282	35911	55787	58744	55140	58314	58706	55281	57989	59404	53295	58737	49774	52203	61065	53496	51071	49262	45146	46586	47486	47900	52390	46905	22161	25676	46252	40566	63193	59871	51707	57133	62969	62269	59010	58364	73824	75218	61303	67867	63911	65008	54957	52795	79172	80208	33289	34427	72802	72145	67713	74492	65142	61586	68295	70715	67813	68548	48390	53401	73270	73815	63028	70724	70112	74002	39949	39281	77478	73235	67332	72109	56832	60226	67530	66117	55501	52766	56652	56673	65117	60584	46598	55399	61314	60088	65040	58936	35517	33975	46478	47099	26497	26085	45231	44245	43691	45366	36009	41213	40546	38064	36544	34306	44287	41106	33937	33081	33536	31886	42659	46925	39043	36707	46807	41474	41267	34007	49470	49098	39496	43027	51843	51870	42915	44885	45249	41261	19331	18756	40084	47056	27966	27635	36519	40185	47628	42933	17206	17123	18737	18066	18396	16511	31617	35453	17113	18317	21668	16088	27432	31815	19887	18490	16940	17422	20149	19640	14759	17502	16877	17995	18647	22759	16457	14496	18580	18647	15862	17462	16683	15124	20186	21703	16459	20225	35913	32262	14909	16317	10894	12630	14434	15207
846.0861@12.09611	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42851	50638	55844	48544	53993	47550	48039	50511	52567	44885	180226	47178	56288	48018	30628	26144	29133	28612	24825	65173	34333	31647	43452	42249	39880	35088	30792	33048	22070	24500	27614	23771	29108	27716	30282	26648	36115	25787	39585	62841	33370	26351	40049	32132	27358	28106	42391	33197	26975	74633	34257	27766	30143	27189	56832	26243	15366	38470	36104	15564	16849	17478	16689	32914	17091	15202	17239	15647	17641	16871	21769	20270	16559	19059	17780	18128	15302	17516	17243	14338	18554	16097	18671	17821	17360	18805	16456	17161	15415	16857	16703	17087	20097	18694	16099	12578	15114	21282	35753	18574	16885	19123	17347	17892	17612	15001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
654.8797@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11055	1	48226	44685	8372	1	1	1	6913	7391	61118	58235	15714	15048	10331	10971	1	1	1	1	41102	41739	31981	31949	8840	1	72894	65681	60594	59789	54327	60855	31232	31674	62714	67090	49163	49248	18675	9023	41843	35842	27152	20333	23960	23665	9209	10157	16832	22055	14815	16871	35015	27463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
114.9964@1.092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7753	1	1	18261	23309	26853	1	21585	1	1	1	1	1	1	1	1	1	17694	1	14038	18956	20929	1	1	1	1	1	1	1	1	1	1	1	23460	1	1	11692	1	18567	1	18788	1	1	19807	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6-(2-Chloroallylthio)purine nullnullnull 1.2560002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36673	37331	49150	43352	78665	78353	40686	35394	47769	50756	43260	34377	105247	100393	60416	49939	65176	65323	38819	34872	28229	31562	64044	64584	60556	63363	35762	35574	76215	90386	41951	70363	74371	79143	38390	43739	68481	83245	78657	78845	47068	51638	68451	63011	51912	36926	53830	57969	40883	37867	45815	46654	47822	44528	64713	58897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid nullnullnull 2.4475374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44469	44432	25348	33446	173393	177871	43670	46838	38974	48603	27335	29926	124816	114907	39592	41348	40620	1	49208	45591	80474	94062	74878	119761	110818	123596	33932	51364	251753	455093	261378	162994	104577	109238	72436	76370	284148	288405	132232	186309	49927	68227	248843	107000	99559	72347	111476	108808	35456	40980	67297	58947	107212	60188	93136	89507	34880	39110	42010	39934	1	35137	88717	28256	19653	25110	1	45239	80432	1	1	55157	53057	42938	76182	52018	68746	51310	1	56642	116620	115465	53129	37828	105138	30722	1	1	34342	58321	45815	49855	1	19321	78407	66841	57047	68793	32205	40123	99368	104326	46462	46164	53196	27303	24664	24561	47894	36943	141292	137941	47108	43871	145728	146059	126258	56517	91628	102787	38768	35717	151242	152163	32887	29718	125632	123046	226833	212888	97654	90192	115772	115782	217412	227673	36333	33398	185706	175552	26306	34613	117266	111612	49129	50222	103587	112382	191919	209168	128057	149387
563.863@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31288	41018	36701	42897	34452	32802	42187	40756	41198	36918	29389	28992	19224	22327	42481	42159	46461	51770	43537	24064	18585	28094	22072	23301	28423	32022	38366	31515	18961	20121	22094	22114	25623	25065	30480	40493	38624	40516	42622	43642	60233	52510	43908	41729	50113	50574	48430	54061	49353	46740	48882	48733	52718	49791	65726	52769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
187.9389@0.85679805	211045	226331	188646	199657	307562	322802	193752	191596	272720	244389	329965	341684	239328	250038	164159	168093	238638	230757	234534	232812	314684	323663	125680	118626	279959	276763	262703	258198	171970	175140	520851	521836	538337	536860	617031	582517	597600	597893	446128	460984	583106	567432	521109	527899	301370	309894	397591	400718	529050	531438	400819	413727	419160	397360	644725	639944	503408	511955	316700	315320	226490	233791	161702	159284	348325	342263	361885	340615	286705	277272	49669	101850	253051	245293	328321	313582	299377	245004	132892	138389	60442	39427	83348	84709	193159	194536	58246	69580	31732	64483	63360	26829	110504	106695	96555	86036	92830	96215	255744	247201	104022	116661	192643	179389	185523	170582	299860	301731	152503	161616	233406	225337	174049	201869	69902	57213	55734	56460	40880	50081	55452	39430	59842	49663	53075	52884	41157	58682	47347	58110	56694	63009	57521	62692	51157	64761	64301	57708	68529	71530	60819	57500	72397	57492	55961	55444	59781	64263	65980	61386	61030	66524	53920	55118	53971	48263	68953	74359	54630	53525	57712	67879	58985	65254	39319	43553	37668	39355	46356	46591	43788	50611	75101	78155	42022	46984	65640	71162	56317	59414	45484	43162	44533	44928	60679	62477	83606	91177	47709	43350	64886	64417	86801	80331	48343	50094	71970	71975	48659	48016	61523	59873	55562	61106	52200	49296	57270	62448	67079	60089
Aconitic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34969	44417	34861	42388	259748	265692	33368	12728	39919	34578	18116	28801	242118	256436	39698	33885	39867	28334	36942	36080	22508	18381	135529	128401	56925	62165	7811	16426	809297	810165	234367	263662	314296	338976	94849	17586	457368	453628	74934	67075	21324	1	85789	59490	39188	14999	35869	25045	30402	1	105922	41619	30263	24923	147973	78339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-Formyl-5,6,7,8-tetrahydromethanopterin	59983	60844	20796	19388	10940	9249	31572	35856	62739	62607	24111	25923	43149	42302	44490	46248	33908	33238	37063	39324	35215	38905	36723	40428	27162	27731	97628	98825	51674	50522	88765	88597	63288	66772	107354	109433	108279	105412	117674	116470	105276	101876	65571	67554	123505	122137	89662	96746	38390	37122	19959	22732	115624	108414	17793	16887	55544	53393	18124	19009	22828	22901	18218	19322	32224	31924	13163	14260	1	1	37874	37511	37056	41387	12688	14018	44994	45457	39154	40783	11040	9910	13706	14407	1	1	30212	30352	39771	38368	14800	16384	9681	11002	33253	31022	30219	30505	40188	44065	61882	63216	43226	41330	19175	21071	1	1	27776	30370	29307	24456	19549	23429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9708	1	1	23513	24473	14406	15011	1	1	1	1	17714	16975	1	1	1	1	23407	24065	21143	18256	10264	10723	10321	10177	37051	37271	18839	17664	8517	1	20679	20406	8016	1	1	1	18399	18622	15224	14837	17524	15420	1	1	12615	11783	9960	8962	12238	13341	10000	10349	1	1	10994	11383	10085	10706	1	1	13694	14897	8266	9107
142.0261@1.5159266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22165	1	16565	19384	435903	70274	40090	36472	17247	22843	1	1	1622061	1676625	1	1	24992	22961	28791	24239	37079	29493	778740	733032	495353	83417	1	1	1326138	1595071	955127	959366	1405526	1438167	1	1	169837	152122	985717	949443	1	1	116303	112715	1	1	1	1	1	1	1	30686	1	25226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22931	1	1	1	1	1	1	18836	1	1	1	1	25908	28817	22299	19619	41788	39855	27205	27431	60458	61749	20033	20372	40821	41585	1	1	21509	24238	17129	17725	49216	50236	54520	52609	24022	14441	70570	68795	44982	43465	19681	21543	35077	31058	12381	1	42034	41169	25946	25588	33715	36145	52875	53789	51751	45334
694.118@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19000	21046	8347	10421	19150	19431	1	1	1	1	1	1	58983	57221	12623	11055	1	1	9955	10986	1	1	26589	25577	64375	70284	1	1	65184	65799	38570	22366	38544	40124	1	1	36459	33152	78461	76167	1	1	29000	29442	7853	9887	11489	12632	1	1	46053	47314	32309	30535	13536	15379	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
266.1041@1.2390001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67225	63298	1	1	1	1	1	1	39844	37762	1	1	1	1	1	1	1	1	27202	23678	8462	9205	1	1	55325	56161	35502	37054	25991	22455	1	1	40277	33498	17170	18142	1	1	27000	25932	1	1	1	1	1	1	1	1	1	1	17960	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.7098@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43739	38548	39310	38917	38278	35123	53913	51283	51541	55932	47458	54976	30865	36010	28326	28841	45665	45804	47480	64400	49601	49693	39791	41014	42470	40298	46051	40476	29583	28217	31224	31010	30090	32953	18229	24645	27197	30452	31702	30069	47769	45543	36844	27309	34849	37425	41201	37092	51077	51350	41788	34625	42328	44300	46497	44034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H Cl2 N	38914	35535	31640	37097	43432	51321	27322	25170	25247	25949	44996	41075	49968	50579	46033	39037	45971	45006	43737	37287	50698	53320	26656	29292	36451	41329	61639	60866	36584	40557	36344	37699	32617	32372	28622	35522	46073	46133	38552	41155	38417	33071	56610	48053	46169	47691	39036	43132	48612	48298	33942	30659	40921	37669	36109	38838	47306	48451	76593	72820	43051	62590	27086	25688	32380	34935	36098	42812	41954	47179	15744	13642	52135	51730	80809	63030	53441	37318	62865	86425	19527	17222	22091	23892	44672	41270	11860	10431	11681	17412	10406	12035	24780	25836	24865	16941	10935	13873	68299	50411	27352	21856	28140	24103	23534	24572	27561	31432	72160	57559	36628	29793	72646	53854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.3776@13.666995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27701	1	1	1	1	1	1	1	1	1	22638	1	1	30939	61852	31589	1	23391	320972	1	160315	1	72404	72111	1	23125	21428	19974	75848	1	99793	63472	206068	1	117564	61796	72926	39059	277730	1	1	53971	140617	1	1	205294	85376	15806	1	44068	347926	60057	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-hydroxy enanthoic acid	323912	60329	361062	344107	165597	65906	182413	157910	265983	322135	165331	136943	52223	303349	151535	109156	131842	137714	315702	329827	338102	152967	163014	351277	384556	186083	394141	348514	354954	389597	82706	171600	181906	156247	188504	137404	347630	151955	169442	150698	187511	178132	351614	363146	67846	207082	375586	140235	93420	75932	427145	200633	183843	170103	434882	94425	38643	196203	39546	119874	84814	193630	100327	42804	94868	83723	120727	120945	191385	89457	91345	16585	174713	116409	95216	200338	46258	205815	133233	103398	100628	106062	106757	27507	228043	106161	1	78117	28193	241932	105101	52967	176868	238461	192422	62489	37603	150621	55472	308027	127174	1	129988	112023	51382	290570	314989	121116	47379	112610	130870	145980	1	114732	59692	149110	58487	365736	50993	119880	346464	111334	160255	356696	264922	153773	374780	57091	341582	112269	161578	92717	100673	360466	55410	292798	145948	230601	185482	200500	347515	165454	142387	154170	149577	175584	27345	148294	327383	130616	367306	41375	298705	361664	325003	126987	354251	379270	155917	137958	139473	149700	375259	303210	421942	174876	60674	420396	408780	395816	81077	331425	426388	422170	79275	85674	58460	75694	77700	73407	303823	183743	340699	159021	148083	163208	384355	398771	156081	163119	59053	367793	405146	409184	383267	335794	310689	305682	156090	319351	359568	388991	176567	378755	382159	185592	161951	146335	414094	179581
281.8344@0.8628185	54349	46775	57601	53649	55392	56937	49359	54500	55039	50675	61592	64302	59704	65100	50491	48147	56668	54476	59686	51183	53278	55113	46961	46741	53825	59733	49703	53889	47276	49380	76280	72401	75396	79890	76969	73242	80737	78021	73482	72764	74414	77531	73130	68661	63864	68298	67127	67535	67776	75243	41696	43622	71198	77368	83015	82451	76780	75965	46919	42262	53902	51246	26360	25362	67008	61544	64870	61430	58926	62347	14085	11072	26314	27592	56418	54554	59534	82384	64123	58586	19967	24193	28599	29011	60227	60039	8241	8976	11585	12312	10994	11774	21181	19371	12202	13713	18998	20283	42690	44836	22478	21285	36098	38599	37200	37270	63732	60586	38546	36219	43311	46796	35662	44176	72402	75868	84315	83019	59199	51949	89449	87460	76519	85515	77989	79429	76024	80316	78725	73481	78333	82805	80647	73535	77456	81167	91239	84107	80077	82191	90069	84272	79922	80298	100419	92904	75216	85758	93540	93607	89821	88415	86921	92141	47824	46385	86001	90844	60554	54006	75096	81403	89948	90769	33664	31213	36884	37280	30647	35139	60374	62980	33269	35457	41460	39703	63964	63920	41458	41082	40355	39265	44254	41650	42149	37183	35413	35617	42272	46324	35837	37588	38108	45095	42275	44475	37163	36428	42334	43834	44094	41470	73901	72918	39190	42714	37528	39782	40871	39266
472.0429@2.6340005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28892	31577	15632	14655	1	1	1	1	1	1	1	1	59949	1	1	1	1	1	18434	22036	1	1	37389	36766	69005	67115	1	1	71550	67449	47152	49070	49915	49225	1	1	45089	46743	81309	87505	20423	19637	39796	40944	21570	21627	23055	22785	1	1	50055	48348	34860	37443	1	25420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isoguanosine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24465	23447	14445	14847	49148	49773	15718	15001	13712	13987	17034	16447	49182	44560	19390	19405	20616	19861	16814	14421	25361	22547	35103	31455	54676	55940	1	1	58595	62251	42711	41176	38642	40209	1	1	32562	33202	59705	57786	17313	18487	59932	56697	13077	13320	28150	27111	10863	1	27716	29065	24001	22255	21153	19751	145578	26282	18291	23290	103556	102438	30504	90000	21787	20270	28780	29366	24928	27643	1	14502	40022	1	89812	87318	1	1	110308	112287	83910	80745	126409	131651	82018	81860	133345	137850	1	1	20291	1	1	12538	34921	94894	67835	84943	16856	20460	40891	40549	23322	20614	23849	20583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H4 O24 S2	45400	40151	44218	46954	29233	36816	48288	41326	48298	46750	37178	37575	42861	39562	40451	40024	43273	44051	41887	40386	34479	28330	48634	46788	42056	39570	40621	38363	46424	49920	20335	17811	17276	16371	17451	14936	15447	15668	15975	15698	14680	15648	17148	13780	13406	14097	18876	19297	14493	12639	18193	13461	19008	17498	14454	13004	18782	20334	31367	30767	24006	22964	27483	30214	14809	18952	21786	25732	19699	27020	22626	25399	39595	37298	25791	28789	25737	12509	11654	12434	20828	23834	21296	29429	20781	19464	32169	25587	36783	36600	37104	38497	29701	54039	46307	42665	45181	48141	33878	32761	54868	48013	42564	42034	39955	40932	25227	28184	41316	43143	40176	37392	66292	44681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0400007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54039	22524	53921	75602	68993	66379	63635	65284	72430	57370	62995	69359	39644	36182	50506	47413	76193	14392	78562	28247	41325	68973	29894	35541	45829	12526	65024	65714	1	35683	32915	47527	34573	36977	81069	43761	33126	47848	33873	68962	68450	22827	30575	31348	30465	64455	65036	62617	93525	72672	28812	60046	65845	86225	84167	64010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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583.86@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46537	42048	40252	43431	40112	43094	43925	43760	41545	40936	46320	36770	47783	48644	39570	37863	45556	42938	37824	40671	25999	30612	37902	39491	30710	40043	39842	36850	62523	70772	59928	53677	62873	55668	41658	41704	68372	61799	55327	62173	50556	50852	55956	59299	50429	56538	46305	50285	43547	50752	48634	49497	46642	44101	62264	54845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H4 N2 O5 S	26695	22167	22141	19412	19852	19728	22161	18828	17555	21513	20208	24942	25701	20904	21177	21240	20535	22302	18158	16790	16369	17220	21438	19525	17799	18667	25629	17413	23030	19328	23247	19341	21864	26746	24105	21666	23620	23359	22033	22009	21307	17577	21311	19094	23172	23839	20569	24533	22126	22009	130107	43602	27965	24292	26926	20783	28603	22202	1	1	1	8987	1	1	11655	12753	9912	1	1	1	12308	1	19767	20758	18050	15874	15286	21491	21117	22968	18193	21145	17107	21988	19259	16056	15667	15618	14569	18516	15903	16334	26687	22462	21584	18378	16290	17028	14351	13326	21750	17215	16185	14646	17989	17967	12281	15513	13763	15154	14045	12584	1	10889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H6 N3 O11 S	1	1	6757	1	1	1	7378	7055	1	1	1	1	1	1	6992	7496	1	7861	1	1	1	1	10413	8994	1	6666	7493	6508	7937	7778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7334	8287	16254	15993	22452	20687	34884	33686	17815	17244	23275	23215	17826	18446	46378	48167	7571	8690	14826	16028	14906	16116	23084	22429	33229	39875	23303	22961	19146	19686	49090	41352	41130	38269	39259	41457	24795	18502	53164	53616	33059	34285	20150	21864	38364	39235	28416	28248	28386	27563	18040	17403	13785	13497	17460	17745	1	17327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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321.9416@0.85555387	47737	49866	53975	55703	51472	50501	49485	49768	51381	49203	44811	49925	51708	45533	45853	47432	51805	51544	49991	50190	46043	46077	42562	43849	52012	57353	41801	47074	47198	49239	42742	42067	49313	46938	40889	42805	42558	43459	42920	45116	42716	46376	38038	39711	33212	34672	39602	42819	33998	40584	25452	22951	47406	43066	44028	39900	47249	52567	28456	31751	34733	33129	32089	31641	38553	36075	32912	39075	36971	35161	32541	30651	22277	22692	32379	34525	36817	37245	28174	28831	27592	23876	32184	27744	32101	31503	26605	28809	21278	26110	26435	27323	16908	18986	27479	26046	30719	27301	33357	32052	28956	30763	30853	31287	31675	35300	38557	38333	32266	31995	31582	30585	43030	34999	38612	36907	48667	48217	32586	34140	50430	44866	43456	42907	41406	37579	44056	45435	43501	40953	43956	43768	42580	40255	41373	44479	48931	44724	49149	45895	47180	44946	47362	46314	48364	47468	45847	46093	48011	52625	45806	49687	47297	45549	31521	33183	45528	42828	41281	37006	47474	48677	48852	46593	20949	21205	23689	24086	22956	23786	35207	32406	24638	24570	25842	27572	39633	36271	26449	27024	23800	26877	25817	24376	25057	25959	27752	26793	26798	27123	25593	26066	29966	29218	27360	28122	27012	26027	27614	28206	28548	26450	40986	43118	27009	26947	27667	27102	23394	25135
473.7697@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44729	45322	37113	46306	33543	30414	49438	49744	54017	56625	41841	42757	38065	33783	22298	25108	48359	50960	51925	63967	47221	44748	29815	26522	36352	30942	42360	44481	32210	34607	27371	26541	26448	29844	13589	16019	32587	24197	20104	23959	44729	40369	31230	21053	28801	29368	31077	36623	55663	58255	25108	33881	41520	40669	35034	39609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
568.8715@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20860	19042	18159	19703	46160	41877	15025	15498	16524	16664	11702	13839	55153	54874	24819	25786	20717	25525	16783	1	9840	10516	42756	46876	36542	36840	12476	13976	59156	55506	49117	57360	50809	54102	24569	28726	59594	53232	46156	50771	28629	24479	45262	45380	27014	28081	24059	31124	21845	23911	27719	29901	26863	27550	41064	31154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
463.869@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55734	52477	56935	57941	40330	37234	55972	60590	59927	64042	55728	48072	34185	37983	58410	62452	63457	67965	59726	35459	27613	33188	32181	32487	44468	38504	48922	53087	33582	33410	34016	37447	34117	36341	46278	39326	42255	43608	42453	53341	77535	73830	57937	53536	73613	72443	71752	72773	64775	69855	72588	70702	68461	68577	82566	73760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.6077@13.420842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33249	1	16173	1	34109	38287	1	59408	1	62658	49679	1	1	1	1	49058	28057	1	19804	1	1	1	1	28362	1	1	91572	1	161811	99911	165627	1	145033	48914	154199	123709	1	55659	1	132848	106843	36858	63726	44667	1	1	118107	1	33349	1	34915	103182	1	1	1	34562	61300	1	1	1	44403	1	92955	111190	1	1	104732	279405	121931	18947	1	30360	1	1	113474	111028	18720	1	104540	1	1	90902	51863	1	28183	53095	1	25968	97428	81058	1	1	36094	123981	65809	57764	48602	47064	45644	1	42792	1	1	1	1	1	1	1	1	1	1	1	1	1	69982	57623	65798	1	1	1	1	1	1	1	40568	1	1	1	1	1	15847	1	1	47298	39564	1	46598	1	1	1	1	1	1	1
663.7514@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68482	61591	64059	57085	75525	68864	55490	54242	56132	47465	52438	49038	69502	68023	37232	32836	47599	48920	56358	51905	63089	62085	62559	60660	67982	71635	38446	42584	72325	66498	59465	69564	74491	59525	47866	42452	71205	73526	74849	65754	56027	56875	63378	67136	65772	63453	69166	52933	41796	45493	57178	52212	51280	61464	76165	71412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
305.8575@0.8592866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78600	75390	68219	72988	95191	104692	87300	78151	92309	83769	73524	84097	78292	94976	43047	49701	71844	79766	86274	111090	87138	90288	96402	82322	80162	87115	78143	74396	66503	72729	64348	69984	80986	77277	48865	40170	84517	93244	66846	83135	65239	71330	75291	87361	63920	75219	73790	74140	81405	92114	67478	82539	75023	70110	70499	98149	35286	34250	32091	32328	23611	26629	34467	36112	35993	34354	34935	36613	36390	36104	37945	34865	37500	31709	35526	36827	39173	39331	35565	38942	38413	36016	36737	37904	38351	40096	38957	38013	33904	35848	38313	38608	36987	39844	38130	38931	26005	25232	40833	39101	26295	26673	37468	41103	36296	38429	16677	17536	18509	19630	17654	16973	22779	22145	20161	19104	18634	18595	25193	24275	21168	23271	17035	17467	20569	21302	14735	1	19652	13003	19194	19349	18499	1	19412	1	19656	18936	1	17577	19912	19888	1	14235	25427	25892	18472	17830	16781	10711	19581	19525
335.9318@0.8396891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27763	27495	24048	27388	39353	39535	21670	23711	23374	25862	22869	23428	41346	38292	29493	28346	28348	29438	24253	16425	14189	19057	24685	24128	29685	31905	19281	22110	41392	39664	38879	48738	45409	48937	47619	49029	51413	52640	46945	50132	33383	31952	52759	48082	39302	34376	34956	38277	22524	24103	34867	33405	31634	32065	53886	44419	13390	13236	14568	13096	18123	17125	13542	15463	12468	9650	16068	16698	14651	13049	16363	16194	14929	13517	16127	17247	15097	14838	13573	16186	16437	15197	14917	16482	11716	14667	13950	12553	14593	15787	12807	9137	15649	15741	12336	12697	22417	19016	10022	11084	22963	20346	16054	16015	12885	12036	14464	15866	12913	14704	16328	17054	8896	9633	22153	21458	15215	14278	15057	12571	15223	13937	16588	18362	11340	12809	24476	21713	33413	31658	16016	16330	27588	27538	28704	28878	13872	14208	28113	29238	16243	16878	26353	24815	9706	10477	21886	24727	30668	30470	25188	27457
Uracil	213785	215563	197669	195502	148838	142132	186585	182779	202765	204108	157868	149801	171902	159425	139808	129253	227153	219709	161939	155982	164640	166751	139697	142132	170875	171380	182663	178093	240320	243340	45310	42827	49321	50636	49915	44566	27185	30413	32836	33674	48207	50941	9258	10968	104837	103557	24234	26300	38432	39137	18386	19026	26780	29762	8735	8594	33158	34022	35699	34337	14579	15897	44528	42147	18838	15302	7360	9448	1	1	22610	25028	28764	25101	13258	14510	41467	44318	22964	26021	34968	31189	49395	52338	10783	6613	62026	65619	42464	50456	29940	32178	14470	16334	28369	32124	51794	48895	30569	30261	52471	57148	19735	16274	19569	17539	1	1	56101	58669	45942	48266	24700	22153	33409	35416	11721	11266	28839	30927	25908	28239	20602	23926	33483	30947	17079	17629	28168	26665	31770	32124	32518	30528	53307	56435	34219	37826	29346	31528	41142	39802	31452	33893	33713	33451	9912	8645	19995	18299	20382	21318	26086	26717	47255	43798	19007	18111	28702	23546	22469	25592	26037	26603	148235	152206	251023	240765	235132	237528	200599	201956	282142	294086	222253	217076	332751	334903	225403	236430	309066	301723	189496	181202	377569	387090	352233	355092	290930	276574	334713	333203	403110	407205	183503	182497	344563	349943	178745	180332	318885	312802	232299	230094	350323	362088	470500	467935	354245	349060
205.9812@0.78945756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26446	25829	18378	18441	22979	25066	19030	20516	22833	27252	18061	18750	26459	21803	27416	19735	30683	32066	25987	15605	10197	14559	13256	1	19508	19179	21086	21642	23676	22986	15319	17492	24828	30231	17461	31388	45036	47089	40941	44747	57712	59120	55837	51519	48835	52051	60935	62437	59089	60143	43607	41650	55054	57715	62842	63872	23625	23155	24513	25357	25186	24701	33451	30983	31255	30872	9602	29989	26168	25613	25035	22981	24926	25344	23542	21062	22468	21034	26392	27372	29019	27388	27180	27825	25007	23912	27605	27509	24151	27525	25334	26082	28580	30530	28120	28974	8915	8913	30064	30612	26929	24926	23140	22966	24282	25323	7118	8600	10338	10650	8690	9232	13365	12820	12389	11189	12386	12840	10546	13635	10531	12225	13736	13096	12450	11985	10748	9108	18091	14976	14129	14239	7846	8311	25665	21267	12456	13189	14218	15708	10832	11751	18762	13307	16868	19192	11775	10318	7558	10024	9413	8923
C15 H2 O17 nullnullnull 14.046002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19602	36677	38498	24289	32324	20466	28697	21770	18516	13445	48435	41646	34005	26970	27205	15934	12474	16937	17499	20952	30022	25768	24790	21680	1	1	14767	13565	16353	22386	1	19062	19963	17724	18346	19659	24680	30878	22179	1	10253	14456	27848	14342	7987	15477	23139	1	17792	19228	27383	16869	11134	19755	25150	17737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
210.1583@8.929902	24049	24685	13014	18115	13421	13238	16434	19102	14793	14959	15865	18090	17601	15703	19655	18714	29707	20246	15903	15068	25428	28539	22713	25666	16485	15966	15751	13626	25394	24074	15497	15927	15492	14441	19931	17241	15833	14738	20582	18395	18503	14493	21079	19831	17084	15809	15096	20839	8117	9924	1	1	15683	19429	17599	21302	21709	21046	1	1	22786	23642	7127	8715	8662	1	14617	14972	7950	9618	17609	13406	1	6588	1	1	1	11363	1	10690	1	13637	11268	13173	13608	1	25445	27275	24140	22418	1	1	1	7690	32040	33320	14437	14042	25860	19706	1	6736	12016	7861	1	1	1	1	22426	20793	12217	10445	305948	45495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H N2 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34848	37533	40874	44607	61455	57298	33880	30295	33122	37703	23918	25675	79210	76256	23933	23809	28708	27293	32636	25252	32582	34030	51053	53662	53857	56214	23052	24487	73148	65220	57251	61521	66047	66291	29660	29723	71921	72580	70774	67448	34641	37239	61812	58084	39296	42253	42351	37660	17401	18363	40257	41328	41110	39975	47278	46815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 N2 O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37843	34158	30458	1	27485	28000	29437	29401	37577	36688	28931	30144	27061	28446	1	151646	49057	46122	46046	31716	19995	22724	16195	1	22658	24741	28616	29416	24361	25609	28900	23035	28245	32245	1	18842	33216	31775	31466	33537	44056	43689	34162	31347	75305	37580	41393	44079	54047	58107	28753	31551	41752	96948	75339	54632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Perfluorooctanesulfonic acid	53504	45983	25779	26983	17732	15810	42250	38694	41687	35972	25227	23923	49358	38779	46426	39048	110951	44991	41291	37753	24210	27169	39535	34735	26312	24469	29797	29633	41141	37641	50996	49454	54091	55414	30067	29850	32541	32844	65825	60259	57395	57780	25335	25167	50248	48828	64622	59157	21760	21942	13495	13794	70108	62886	17719	15716	80508	81665	22480	23011	22629	21222	25435	24225	16854	17813	15273	16418	9134	9356	33220	29500	12281	12520	22017	21041	20875	20955	31357	33654	60576	37575	31049	28916	10612	13553	27560	24410	25789	27008	25376	23002	14625	14501	29881	27532	37869	35365	24465	21652	29010	28645	23727	22276	37630	27315	1	1	26051	23062	22879	23729	26036	20258	39227	35879	26684	31008	49791	46461	32260	35230	26922	25665	35407	37950	31421	31503	46373	49178	37571	38599	36690	38175	51360	49883	40801	40022	37671	36760	44579	48419	29535	29742	33993	31377	35053	34980	22232	23598	33355	32006	33889	37174	68932	65560	24286	24586	71941	71781	34054	33439	21451	24293	17202	15896	18472	18380	44618	48550	43936	41763	30876	32405	25686	25184	54245	53730	19139	18388	26924	25967	15184	13133	45072	40193	43336	42161	20196	18812	36004	30759	37500	37613	17698	20211	44515	43642	14973	16668	58463	39999	31457	25427	37898	35160	55208	65062	40893	38368
532.7219@0.86963254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47112	50016	50307	48092	44316	43278	65724	64621	63303	68671	59434	57878	47153	45665	36929	36906	68311	65852	63453	60925	58696	53616	45475	40079	47611	40291	54885	52670	34594	34995	41746	40264	43325	45509	24231	32033	44366	41934	42752	44891	62467	58478	43588	44136	52566	52331	48937	52134	65133	71960	53024	50414	57396	58488	58863	62268	65518	67106	67798	71920	46050	47768	70064	71908	59353	57715	67496	68331	67740	69321	65506	63849	65671	69839	62759	70920	68730	65026	72195	71405	69202	67164	73506	74139	69511	69214	79854	72793	65818	67214	70602	68984	70031	74615	68257	65670	39081	37679	59081	62537	41078	42424	62810	66053	62951	69042	20505	21617	23463	23617	21548	21969	36558	36456	24252	22081	26158	25925	45090	44451	24392	24760	24827	27272	25971	21388	28094	26417	23945	24427	27817	27038	23233	25078	25340	25877	27034	27387	21706	26281	25547	24026	28123	29444	44653	47533	28332	27465	26564	24462	28089	29578
719.8424@0.8417384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26970	27038	24897	23759	26818	22351	28621	25893	27114	20419	28453	26499	22557	28723	31837	26364	33391	33529	26852	16741	7884	13583	21579	16382	20422	15014	23666	23847	24996	32891	37400	37678	31894	33096	24094	38284	47567	42017	38718	39132	33002	34929	40158	38244	30424	32335	34635	34046	31798	33604	27877	24350	33534	27714	38688	30613	36238	37389	35252	34539	25670	27527	37271	36931	37699	37569	33706	34897	33705	34379	30267	27406	34955	35648	30792	30777	30469	36366	34352	35195	33802	31907	29210	34342	34419	32548	38082	38595	36085	31563	38954	40769	37153	34701	31060	38971	21709	18254	40272	39128	27862	24267	33035	32943	36677	37838	17530	18765	23500	18615	18724	20168	31644	31720	16199	16191	23097	20631	26480	26867	19849	20368	21425	17223	24183	23907	20609	17505	19267	13579	21736	22281	15223	16073	19510	20298	22774	21828	16318	17226	22702	24941	20896	20646	29182	29417	17760	17992	18157	17524	20265	18255
C11 H2 N O11 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35403	38213	40291	45585	79130	77763	34821	37820	29243	35656	32958	24826	87227	85884	32396	33482	37354	35250	37349	31160	27596	17346	65031	59123	62239	62264	28930	26705	84627	102086	80300	88938	96744	85597	56589	67119	108274	102047	97452	87040	37261	44586	92627	78761	51212	53533	54938	51183	29121	33956	45036	53867	41900	55283	60153	57850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
199.082@1.8434671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17602	17505	1	1	1	1	1	1	16599	16238	28508	19880	1	1	1	1	18240	22673	32118	28307	14371	21466	1	1	41776	49924	37622	41748	35736	29314	23816	1	64543	63512	36502	37617	22368	22868	52649	53225	18089	18094	28487	26959	1	1	18818	22486	17424	17084	45749	40186	1	1	13231	1	1	1	29834	29684	1	1	1	1	19538	20658	1	1	1	1	14891	1	18049	15073	16033	1	22261	22305	1	1	21563	22353	1	1	15228	14616	12180	18104	1	1	14968	17064	1	1	1	1	1	1	1	12014	12910	11594	49504	54489	70833	73774	52167	46573	47680	51617	225305	214430	76034	87153	87617	89038	47902	43439	107820	106982	32828	34736	148648	154338	245704	261488	81265	72713	143572	159923	227746	73510	38845	32629	200735	190384	45794	51633	29464	96304	49023	45557	133266	147372	172499	156138	157415	152942
587.8157@0.85599995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	149671	158992	144349	139876	110723	106767	170036	171793	178927	178104	147315	145346	90081	83380	122398	119887	181815	176071	169513	147740	117021	124193	58364	58462	87241	96708	134694	134527	59837	63107	68628	69937	76497	78927	71404	73362	86020	83620	101552	103274	171157	165316	107340	105839	141006	143583	145320	149959	180960	178704	129497	130001	162828	160732	178853	170499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Acronycidine	36925	39080	43674	44004	17438	16782	29406	30550	29266	28123	14792	16378	21730	21532	19162	21359	18057	22576	22593	20726	12182	12866	41407	44225	21000	22587	28988	29422	34266	35710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6723	10846	11122	1	1	1	1	1	1	9493	10343	8338	1	19328	18270	19023	20875	14198	12347	26910	26308	56093	51243	31499	30076	13278	15325	1	1	8358	9946	7180	7943	10552	14475	8298	8495	23565	21993	17229	16592	29183	27657	19112	20312	20934	21035	22025	21489	26391	24231	25121	24549	25407	24713	21979	22886	22491	20854	27609	28808	20778	22706	10226	9585	22994	22695	16624	17699	15746	22012	11536	11224	24646	22324	24457	23193	18355	18474	21436	22613	17228	19225	18975	23963	18239	19615	14534	16771	13619	12999	14597	16518	17521	18556	28206	29255	11339	10938	23077	21825	16948	17128	9751	12414	1	1	1	1	1	1	1	1	12292	12887	1	1	18801	25470	1	1	1	1	1	1	16032	17436	12849	13598	10148	12172	1	1	1	1	1	1	1	9026	1	1	17156	17598	1	1	1	1	1	1	16416	12369
C19 H18 N4 O12 nullnullnull 10.902176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21186	156371	19638	22792	148992	17464	12411	262157	167577	14230	19914	148264	82162	146201	95730	42939	70815	11539	74394	83766	82243	87466	17179	83366	8839	26561	64259	46582	10256	74484	86103	49976	48582	38469	45811	19065	53829	79586	67285	54643	53262	132965	51107	73470	64906	96450	8974	16755	28865	63433	94725	77902	97948	84752	274944	85654	52353	44639	36657	86764	60965	49311	57782	29183	50698	75311	60245	24937	44208	43245	56500	56220	38679	45230	51792	53416	30361	13901	33630	48902	53825	55069	57597	21274	73545	50053	58991	49172	35678	46421	30365	45222	52533	29242	69363	42441	15611	58672	72023	35050	48020	8464	79559	71605	66826	60806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
651.7264@0.8568974	31669	29763	29323	31408	20827	21126	24146	24890	27896	28022	19275	20491	26592	29326	24961	16475	32765	28792	19577	26069	22161	22741	25225	33336	24086	27189	25170	23956	32868	28228	9353	1	14362	11281	13521	13314	9165	18411	8692	12806	14606	12131	1	7604	1	7644	1	7197	9543	1	1	1	8131	8012	16932	8909	13805	10616	51665	49439	48974	51204	68672	72315	46956	52407	50199	55403	45210	45184	71908	79907	32998	32516	48036	57029	61339	54703	57510	53729	64812	57945	70314	57817	43017	41383	71176	73500	67339	62047	61610	67088	37157	37525	75856	68177	62601	65138	47327	52135	64314	59488	47024	53604	57537	55036	52945	58140	38359	52372	54382	54425	63923	59940	1	1	9506	7582	9288	13621	11271	9636	1	9846	11177	12041	11068	9746	12906	11427	9524	7668	11010	1	12020	11216	15418	12178	9638	9460	10226	14797	7674	9549	10612	1	7903	9146	1	8151	13268	13939	9604	10322	7343	7831	1	10465	14041	14546	10199	11416	7386	6400	7188	1	6830	7062	7752	1	7638	7859	8054	9927	7085	8014	11098	9514	1	8072	6562	7485	1	1	7728	10180	11684	12614	7275	1	9563	9721	11730	11345	1	8433	9951	8791	1	7137	10658	10701	1	1	8807	8322	10848	13517	1	8957
821.7915@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51968	54521	57635	60291	35406	37765	73146	56142	60463	60040	57431	60569	22445	26447	62120	62109	80160	72272	66414	33588	21997	26029	18245	21712	28859	31386	48234	48938	24150	23836	26649	27490	25349	30276	37375	48501	37126	32755	39886	46777	73032	81299	55572	45081	74890	70632	68503	68326	77108	70447	58891	70742	68327	66165	83764	68992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.9228@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67384	65902	66723	65770	97921	92451	66091	68648	65568	69281	59872	61394	101748	92516	77189	75620	74807	72199	66910	49931	48274	55571	74605	68905	75833	71002	53105	53309	101212	95638	92828	101668	94424	102069	102875	96759	115593	116713	102300	107871	81451	77797	107681	106292	87257	82907	82011	82484	66637	66327	76252	77876	74909	76969	117155	90232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H13 N3 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17262	14472	16491	13291	6597	1	12044	11967	7311	9367	16696	17956	19563	21409	13254	10425	32714	32017	13999	14568	33479	41865	21508	21668	50034	49161	19277	20672	8829	12173	19404	19369	22021	22018	1	25418	21553	21554	50444	48792	29003	34445	45993	46356	30354	31135	46744	41434	23136	23051	41961	44813	41203	34624	1	61053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.6577@0.8643339	21306	15049	18219	20918	27888	27859	21768	19559	19811	22594	27752	25017	27844	28946	19546	23219	17978	19255	20290	21490	29098	27970	15314	17730	24086	25953	18600	22761	19460	17336	58624	57289	59612	57888	55014	57692	60828	58590	54822	54849	53663	57677	61942	54436	50899	55929	53323	52839	63841	62052	28166	26917	48291	44467	69400	68176	48309	51171	24884	25829	34690	31967	20420	19539	41189	40545	41451	34834	35654	40153	17702	24093	29058	26459	51084	40629	37147	40968	28331	30803	16210	15709	20089	24118	39628	36345	16261	16771	18950	15707	15884	19450	18962	17392	23549	18281	25979	21592	40213	38619	24411	26737	27647	31566	29149	31363	53061	49227	27435	33806	31549	33061	35704	34317	15332	15777	19160	16789	7093	9135	14852	16391	20314	20174	16413	15507	15074	16079	15389	14963	17148	15175	15018	13791	16252	17680	16993	17746	17153	16382	15215	16002	15534	14827	19097	17175	16845	16879	20476	19911	14024	15377	17945	18960	8998	7762	19044	20935	6306	7105	16393	14742	19327	18854	10586	8976	9209	9586	9293	7432	14695	14956	6654	6487	9350	9627	14601	11770	10962	10576	9217	8027	11354	10716	6496	1	1	5612	9248	12098	7462	5717	1	7805	10769	11216	5717	7002	12722	12779	7115	1	17430	17611	7368	8109	1	1	6595	1
517.8504@0.8521333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16912	18253	14487	14576	20030	23102	14795	14344	20917	17547	1	11174	26306	28704	10612	1	14802	9458	15988	13289	12377	13481	18081	17599	23030	23954	11294	13566	28428	27369	24401	24750	30094	29222	14924	13866	32345	33704	26069	20179	12382	20624	29903	22843	21402	19693	14798	18818	1	13712	15284	19559	12010	21001	19146	14910	69958	70384	62730	67828	50803	50259	68739	64616	64568	65336	68944	65520	67921	65480	67827	70006	68596	69778	68156	70461	72402	72131	72920	75730	66280	70361	68321	68559	70253	74249	66743	72246	64626	69069	64085	72625	69269	68516	70925	67236	49538	51767	68317	71355	55203	54287	71154	70587	74508	67698	34919	37437	39753	40998	37670	35957	49464	50829	42024	41203	38121	33047	54497	56339	41148	43854	35818	32257	40802	40427	37548	38625	42741	47832	35895	39570	41548	39985	45302	45525	40522	36776	35186	43066	40585	41843	43576	36421	55390	54355	40912	38112	40438	38947	43604	41153
853.7625@0.8455272	85665	75615	79158	84829	68571	59289	81291	88761	81823	86028	58683	70986	74412	83977	69480	75597	80159	81246	81985	78898	64335	60364	86272	74727	63363	63029	57565	72894	88442	77690	22318	13777	26465	22844	22511	24387	23763	24043	22694	14900	13559	18653	22910	23056	17302	23599	24838	28511	24954	20912	11678	15301	25988	25589	21038	18737	26186	15099	54915	53635	47485	57464	64444	57705	41703	37667	48476	40112	33429	34197	67292	63404	40855	41527	33400	47042	42569	27454	26479	32386	44186	50441	56552	61293	29833	35696	47496	53772	63891	63119	63381	64458	42078	39992	65512	71979	76400	73731	46868	42951	64826	64074	58783	61908	58100	59016	34026	34903	58071	68132	54210	56991	58288	57705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
734.2086@1.0489999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60338	63353	51688	51657	42953	41534	16090	20249	43199	41299	15521	17589	70679	71102	25978	22661	31238	29257	18687	17858	38643	38302	21026	19299	47524	49317	27491	29828	94036	88398	101369	101965	36273	36193	15813	17669	53179	50162	77947	77875	58292	55080	89307	84465	34702	35842	39762	40438	12449	1	66848	66939	63282	62403	77465	67879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
119.976@0.7929996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16471	19130	12534	10094	17089	16232	19158	14072	17361	19374	12479	10923	13957	15398	22185	13082	24891	21244	18651	16844	16169	11680	1	1	16301	14778	14449	12813	14656	15344	11141	15590	21272	19344	8828	11653	24517	27694	27041	26478	28362	26104	23647	29227	21121	28646	26173	24892	28415	26247	16919	17582	28267	27083	29012	38040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
237.851@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20480	31498	24959	36032	36514	36184	31487	28078	34270	34737	26669	23979	36845	33093	15178	11031	22941	25466	33847	44197	41702	38485	33440	43550	38351	27791	29757	31174	28118	25612	29316	27114	28703	29664	17736	14562	25549	30094	27519	31778	25798	27346	26593	26856	21073	26385	32080	24141	24979	32247	23567	26648	30042	22809	21173	29446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.8498@0.92693263	10414	10863	7373	8997	12599	13930	8619	6644	1	1	11083	10782	9805	8858	14195	13903	6160	1	8383	7737	13985	14158	7828	7124	1	8845	11806	11723	7623	8873	28707	26956	16936	16609	23061	21516	24024	23633	17026	16863	27186	24751	36642	35113	47689	51250	25258	24054	37120	41293	66355	53316	21473	20725	33953	34228	17937	17446	8197	8179	14264	14725	1	1	13252	12366	10580	11417	16570	16839	1	1	42809	38690	22300	20720	17181	18162	28978	27035	28165	31250	16100	16946	31694	27393	7357	1	12877	12822	9995	10639	22576	56695	15276	14554	15010	14627	29548	28000	18798	19666	27969	27336	23127	24297	23320	26188	34727	36242	24868	20544	15874	16351	49089	48543	37179	39901	30174	28965	32059	31336	51647	50070	43977	41272	40136	41245	51220	50361	40447	39828	47629	50381	50698	47637	34530	36024	38259	40254	29737	27674	46188	46016	31235	31126	38045	40813	34847	32751	28992	30123	40634	43591	49394	48850	44906	43736	18583	19892	44972	42892	49947	48740	55108	53561	49263	50350	51705	53127	58800	59067	37071	31772	40538	38599	54110	55817	71268	65810	46125	46012	75611	75488	44010	45118	40893	39310	51419	50887	50446	47931	33867	33142	69158	69982	40657	39964	67047	62879	43248	49551	117822	109920	51008	50985	46271	48682	57600	54850
788.0427@0.8929999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8849	12248	1	1	1	1	1	1	18996	21199	1	1	1	1	1	1	1	1	9577	8880	1	1	1	1	52526	53765	23654	25036	17192	16732	1	1	22618	22764	10665	10153	1	1	1	8633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
349.9994@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52194	51227	12715	9587	19711	15846	8836	11561	1	1	32932	32415	26470	26185	14559	15291	11586	12934	19883	22462	27811	27597	58445	51522	35718	33944	31014	32242	67308	67178	50465	51885	24973	21763	17126	14450	25286	24071	25747	26035	1	1	19245	21009	19395	20461	17261	16302	15703	17563	24521	21320	28741	26551	21921	22805	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.0351@0.9120007	103563	96993	113133	113796	63299	60315	132345	125476	112174	107626	68646	63007	86347	94701	95425	88966	99357	101265	97508	90199	50044	46337	154933	161989	84393	95138	80017	74266	123493	127431	17426	18466	21058	20596	16420	16519	24774	23457	22762	20979	21256	21262	12496	11742	7914	10633	14187	14343	13186	15731	13684	14231	22614	18827	22012	24305	23786	25818	27357	26431	23999	24455	54269	51574	17176	21180	21922	18141	10061	13076	31895	34069	13058	11969	21678	21801	21084	20288	28889	29120	33668	30620	31882	33051	13254	15044	45223	45470	38851	42122	31085	35865	10815	14234	41385	37629	41007	42211	26659	27017	36164	34312	21989	24056	29908	32709	17574	15345	26292	23815	25122	25010	34449	28846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6-Hydroxynicotinic acid	39177	40450	88199	91234	81903	78304	82112	75694	75219	69859	65421	68075	43091	44490	77026	78793	47109	41387	75313	78128	26200	32684	36149	37983	50124	31327	33078	31429	31309	32215	51113	38714	47421	34343	39056	39783	35949	39255	38881	37453	41376	32871	44270	39374	39273	36778	34126	38452	35935	36231	32684	33143	84887	87123	95975	77824	65370	69791	39820	41748	38407	37317	39321	38953	29955	37875	43900	43516	48135	45688	41322	38057	35139	30325	37805	38685	26673	22339	32186	29381	36876	31882	28661	32855	62725	54846	40874	37406	68747	66305	31118	29003	26272	38389	65864	63819	45068	47353	30566	33364	54054	53396	34361	20336	40402	43489	28062	23678	30761	32730	20925	32552	28667	30886	36767	35430	21358	36774	28521	34817	28836	32006	36699	35331	50857	48005	43770	39359	27964	27583	32600	22487	31605	30764	28849	33933	30278	40187	62056	66549	185845	195072	138612	142236	77756	80060	45405	42448	44467	49471	72850	65198	61676	54775	36261	34272	55331	49082	56035	64177	65446	63993	30138	24744	24691	30410	25368	27592	40364	27406	32307	30015	35293	25928	34890	33273	28255	30720	33964	50469	41747	52001	50114	45467	49987	49237	64253	56379	38007	39249	37241	52270	64476	59548	59236	63024	37655	48562	54413	63451	55635	56783	55023	57742	63443	68727	41775	47474	43831	37571
C35 H49 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32592	28048	17016	17346	75557	63983	37055	30792	9897	70437	12132	41099	91812	69516	51763	1	1	39303	1	1	14480	16704	387758	149398	79082	60773	12966	13863	75302	65247	91076	87038	104311	85239	73060	9709	121006	72799	119716	90412	112120	12663	101795	81569	23660	22616	37923	1	1	1	1	23715	29260	29126	26380	18929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H6 N2 O16 S2 nullnullnull 14.046003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23678	39994	23710	22198	20978	20790	25542	25356	25213	18932	25494	29942	22814	24171	54140	30953	21328	20150	28256	1	15226	20058	25655	24877	10505	14444	38207	16740	30096	16070	20341	16732	19317	11370	1	15703	13852	24977	19265	14674	20244	9798	19566	18200	19980	16500	67228	10051	13880	15937	24571	14184	1	21213	26277	27168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H30 O3 S nullnullnull 10.528189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55380	45634	1	1	54883	1	39119	67445	1	1	38034	32344	28143	1	41299	38465	104780	71308	54037	54677	89131	121069	150316	52850	21373	1	54771	42672	1	1	1	1	1	1	1	1	32509	1	37210	1	77967	68784	31569	1	65727	96248	61207	1	43144	49638	143058	64917	1	33400	321117	26161	99134	119067	172960	169520	142812	181437	127235	151694	178607	182361	111638	97913	94226	97144	69462	105216	132672	109685	116331	85932	99090	50415	103557	103572	126637	123820	55224	55142	112124	114710	45933	71201	57338	61041	83564	59416	103468	116088	67177	56884	106736	151388	53978	78462	110210	102380	104946	132244	158301	170325	1	1	1	1	1	1	1	27526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21856	1	1	1	29821	1	1	1	1	1	1
935.0385@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7790	1	1	1	16137	16576	1	1	17640	1	10493	1	28012	32595	1	1	6520	1	1	1	1	1	14842	13243	9762	11219	1	1	51778	49104	34553	31213	20941	19081	1	1	26949	25178	30062	13211	1	1	10185	10586	1	1	1	1	1	1	1	1	1	1	6665	6580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.736@0.8644905	30031	25697	29923	23575	18438	26055	24153	28007	29981	27525	23958	30569	27933	20942	19580	21566	23275	26380	24393	29041	21271	22008	24498	23004	23781	28109	25740	24575	19289	24276	16255	16686	21630	22803	17654	17142	20873	20014	18991	15614	19538	19861	16930	12700	11151	11410	13312	14391	12629	11615	6978	7298	20641	20818	16108	17049	27045	23018	44343	53348	50128	47029	47938	49918	54101	54825	62638	60709	48314	47737	37605	51135	32000	33567	60830	56784	59183	64382	54434	52835	36317	37925	55629	49405	43233	46061	29617	38652	38783	36806	36882	47647	30827	30083	38842	38082	51973	46894	55742	56678	45619	48516	51478	45010	51081	53233	48256	50670	40425	45225	55923	51762	57540	58929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
376.8633@0.8779996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32770	32695	33811	30974	40891	42135	23615	22030	21247	21449	20394	19427	57748	56177	20744	19898	20667	18855	25100	24133	27346	26773	49028	47554	46219	47168	22778	24183	49970	45522	47847	50505	53260	51784	26891	30982	55581	53937	49899	54376	23521	23075	51281	47668	36079	37741	29000	32319	17856	19312	34648	29906	33116	27003	47115	38190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
8-hydroxy-nonanoic acid	146769	195181	214088	205214	456137	165538	188808	207275	194814	188705	102240	174416	398226	78062	174922	175477	182565	364394	79990	173147	180984	203734	203297	197782	161525	520036	222762	187865	190403	74669	122438	33036	114532	192106	196171	201902	446683	470862	185825	173202	148426	185597	200453	157507	72019	193855	117202	195375	218757	137272	242451	66989	63365	482970	504699	204835	225097	247780	131278	131063	123066	128507	138767	112678	293602	23548	115916	138902	118279	115573	119241	116530	112421	139915	307988	154755	25672	91640	342919	139662	137064	147480	276295	135052	154566	137336	292139	122317	135466	134434	153909	85944	108773	155280	79730	167748	156294	171094	162717	174210	161593	160981	72355	168392	67643	155886	155086	171441	171691	44348	101065	175777	1	162709	191154	119736	157711	181527	184007	196670	217818	210579	163613	193127	160696	190220	203839	205917	190616	181720	189622	94895	178471	109496	463281	497729	67528	195130	176085	180769	490613	485167	177456	96982	151847	211428	214606	473144	110536	179003	203137	183000	193176	515431	174630	195864	183377	461302	203587	107268	188313	53850	192068	205005	212391	156934	63991	197641	516329	208005	44264	133474	201776	84171	112092	219721	218671	227069	198887	178074	206984	178119	190474	199398	211350	488955	116553	69652	188208	208711	218629	501470	203586	201666	196529	190759	217164	144939	57148	207031	197164	515209	211863	185942	196524	192599	233111	1	213372	182678
Stachyose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	185288	182869	155463	156950	144694	143049	66326	64137	127240	122630	53353	55192	264979	254137	80792	81481	102648	99710	63405	65100	131384	133116	90838	89216	184494	191400	106899	105993	391973	392661	385126	391719	150895	149078	58511	70122	212786	203153	285525	289976	181391	183260	320798	320529	129446	126227	141672	137114	43165	45282	225053	226507	207334	203785	250868	225954	21730	20916	21642	24037	30573	29944	22141	23114	24584	25054	17777	21546	32598	29487	33143	34775	18887	21035	21323	24123	16068	16425	16452	15451	31135	30873	12578	13452	49975	50031	22384	21169	30974	31567	24044	21553	38445	37357	30742	29188	31350	31959	24930	27651	46055	45987	21754	21705	20715	19566	1	1	1	1	1	1	1	1	1	9757	1	1	1	1	1	1	1	1	1	1	1	1	10920	10340	1	1	1	1	9118	10945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9642	9027
495.8229@0.8574488	38727	41230	44666	43865	44927	38551	42049	43034	41101	37959	40186	36021	43655	37214	34817	34786	44181	40198	36654	40922	41310	41724	36677	43789	42744	36898	40350	38980	40611	49003	52745	49843	58102	55499	53963	49561	59027	53395	50321	52425	51317	51875	43718	43872	47360	51969	49339	46079	51046	52664	27590	25429	53631	52217	62274	57937	56985	59394	49163	46546	46221	47052	51378	45288	49958	46053	47257	47230	47439	44752	74346	66495	24416	24512	42469	45788	45805	59253	48794	60396	53321	43603	49340	51478	45851	43078	73962	67729	55472	56415	61012	64066	32124	27368	69047	60883	54443	56813	39866	43836	58345	44908	44354	44331	38528	36760	47765	49324	37542	36114	40684	38858	38593	47317	24927	27867	33690	30407	19801	20361	29068	33549	30469	30475	24263	26229	28170	29699	22130	25372	29672	28202	24603	25184	26265	23910	28419	30414	28972	29708	31914	28814	27642	25472	34692	31076	26591	27988	36931	32474	28343	27925	28341	28504	16600	14536	33076	33144	22301	19952	29212	26110	28148	32315	14562	10935	13373	13862	12417	11760	26761	21593	12491	12924	16528	15282	22353	23598	17048	15399	13796	12767	14563	14789	12977	14831	12175	11067	15197	17102	10573	13373	14630	15755	14508	15003	13696	12672	14279	16756	12364	15131	22139	26704	13311	13636	13975	12081	11912	13097
429.8092@0.8598863	22124	17302	16561	18542	17869	20608	18310	17598	21429	17472	18044	17182	18565	21899	13934	16710	24466	19314	18867	22098	20499	18220	16197	17530	17446	19132	13416	18933	20002	19442	17870	19898	23686	18084	17330	19336	18648	19683	16885	17500	18094	18438	19562	19952	19334	19844	17507	19399	18371	22063	9881	7959	18199	19684	21012	19869	16425	22552	45317	44538	38416	40432	37812	41918	53034	45783	43199	45451	40012	41061	43437	46694	23782	24093	46589	41909	49387	48257	49853	43244	39811	33033	47909	32322	42671	42346	32531	36436	35051	35635	40999	33404	17752	19407	32291	33955	35279	31181	38921	41031	23591	31979	32693	39916	32063	44504	40997	46554	32957	34091	37826	37663	42761	48436	23107	25265	30021	23485	22105	19401	31418	26139	25930	29166	30449	25102	22893	26324	22810	26930	26378	26375	28084	26959	25223	26984	25785	29663	27728	27266	27712	23780	27273	27992	27782	26839	27495	22741	31777	29256	25978	28579	31913	28665	17655	14024	28730	27406	18690	16555	24834	25158	27675	25841	10647	11056	13089	12019	11334	12661	16061	19224	11693	11247	15535	11804	17071	15152	11782	14960	11736	12565	14300	15259	11746	9765	13195	14006	10903	11437	13024	12130	16199	13688	14481	12855	10684	10389	17036	15531	13254	11425	17185	22530	14271	10466	8883	9631	14289	13405
665.017@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13847	12542	1	1	1	1	1	1	26066	26102	1	1	1	1	1	1	1	1	13093	12510	1	7117	1	1	58979	56353	27330	29192	19156	21663	1	1	27829	25793	14356	13610	1	1	7501	7696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H2 N2 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14085	11800	11760	13584	28725	27079	8928	8723	6697	6763	1	1	40865	45381	9253	9780	1	1	1	1	8574	9511	29198	29862	21841	25299	1	1	52134	50337	40836	43213	38188	39014	9505	12068	46661	47039	35848	37825	9224	8725	30771	27054	16209	15465	13392	11624	1	1	11956	13366	11273	9356	15918	12872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
230.9946@0.9910003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30105	28174	28595	28012	31278	27417	27989	26493	30682	25567	22626	24788	35910	35726	18855	21301	23551	21481	24225	24611	24694	26578	25989	36479	29652	32309	19286	23713	31911	29835	30339	32316	34772	32624	60719	37824	38824	33564	37000	38515	28430	29886	39925	33898	30631	32155	32374	31651	28645	29008	25109	30371	31846	29012	1	19720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.582391	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49473	61964	49864	43977	39574	55204	55280	47527	46003	49100	36285	44164	29524	39605	14419	19890	20859	20551	21276	19090	16526	13115	1	1	1	20575	69826	16591	23105	18297	18990	19333	125299	17332	23592	75431	26905	132188	61223	10023	18866	20615	21226	72753	77542	26460	1	19603	27638	20298	28159	16517	22381	27754	254559	25082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
310.0535@1.3549998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14635	14931	1	1	1	1	1	1	39928	38912	1	1	1	1	1	1	1	1	40396	29991	35714	32167	1	1	46740	47391	64481	67817	37050	35976	1	1	34851	34209	58913	57337	1	1	38928	35218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49190	59383	26780	26211	54431	55014	35610	33885	20542	18286	1	1	23528	70155	26106	24413	24346	25962	34711	33659	29567	29669	54447	53005	66909	74536	1	1	65756	66278	67651	67250	61245	66709	1	15325	55669	51910	83017	80377	33643	33958	65739	67324	30752	30350	27773	21861	11568	12300	38109	40000	34124	33106	33299	29547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-Alanine	5971324	5864855	6370909	6232035	4086703	3730821	6444679	6405803	5891400	6199871	4657270	4633238	5195875	5335476	4754499	4746462	5891376	5954871	5221281	5066795	3212970	3166984	6381678	6564912	4405336	4683406	4736117	4751653	5853929	5949460	93605	94791	123736	123991	134488	131640	92527	106900	83568	83071	116390	113137	112826	114843	155819	156048	99506	98874	70924	68344	41573	45542	146833	137831	44680	46412	144099	138174	6073512	6047382	6484775	6460122	9654015	9752134	5503325	5408543	5768503	5848105	5238761	5256628	1.35E+07	1.34E+07	4514205	22641	4764229	4744750	5260082	5340859	6931354	6907663	1.11E+07	1.07E+07	9645958	9635463	5055001	5088317	1.28E+07	1.28E+07	1.10E+07	1.14E+07	1.12E+07	1.14E+07	39200	5228262	1.17E+07	1.17E+07	1.08E+07	1.07E+07	4973043	5090797	9292450	9323963	6855616	6962203	6982403	6920546	3901369	3975257	6375616	50045	34013	6158247	8227959	8132567	15992	14652	18831	19705	13053	13109	8696	10447	10533	11981	22318	19269	20618	22625	18125	22712	19197	17363	25754	34282	12291	21471	9936	14158	18815	21247	17935	25341	23249	26689	10470	7908	23483	20320	8120	8185	14705	13692	11504	13671	37294	36278	12390	7378	20620	15707	1528109	12216	15755	16489	38862	35457	37475	36565	37398	40626	27367	21322	53003	51230	27617	36890	44294	44036	49754	50292	41979	39357	27164	33588	61838	65154	56424	65148	32059	31472	75627	74417	54760	60411	40922	41568	48746	49731	40414	45192	54956	49174	19092	18563	50732	50835	77424	85843	60351	65116
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12080	9720	15011	13674	22096	18914	1	7890	8776	8748	1	1	29301	36976	12374	12271	11539	11523	15138	15916	12167	14794	28162	34285	25199	22419	1	8611	42190	43564	50142	40704	43742	34528	1	10740	33517	44861	44256	30273	14050	13862	29042	26503	13617	20194	19778	16276	8219	7447	16846	13816	17029	19305	42061	23880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 O20 S nullnullnull 11.075995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83355	179246	180266	135732	141517	92247	141107	142665	163875	568014	135703	180232	150873	133690	70416	65250	47008	51312	61371	45570	52240	52042	1	38437	49156	60757	59130	57395	35362	65384	62292	65979	71508	43089	62073	82144	64875	83444	68923	43154	73984	60942	65363	54319	67446	36254	56797	52899	53272	68396	52004	62494	43642	46462	17915	72458	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0960004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35535	37104	65930	69729	39105	45510	55788	51654	47081	40353	33618	35547	1	17362	34139	21897	59393	57316	23935	20815	23813	28816	16933	13877	28267	20413	20217	23997	17997	17538	10350	12237	17184	21068	36552	21975	15843	17726	15912	17475	31835	35812	17728	16329	15478	12133	24222	18740	20030	17097	26722	26408	16998	12750	17724	49373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
330.8435@0.8645002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30741	28657	26563	32990	33506	38686	34365	32233	31879	36627	30691	31793	41872	46170	13424	18460	31414	25601	28184	37369	34714	38817	48517	27341	40526	43708	21413	24798	44891	38865	32092	36818	42872	40690	22352	21912	37923	34381	36058	37051	26245	33091	30743	39377	28082	32575	36289	32412	27362	28055	31873	26301	30543	28191	37056	37431	5721	6799	7239	7994	1	1	8551	6827	6707	8494	1	7515	5657	1	6891	6538	8159	6220	1	6564	1	1	6420	9077	6700	6162	1	8774	7202	1	9069	7415	1	8416	10049	10510	8884	6473	8414	6545	1	1	7371	10555	6923	1	6646	1	9926	9989	1	1	1	1	1	1	7148	6656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7059	6924	1	1	1	1	1	1
C6 H3 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48910	54468	46542	45297	58369	57654	47228	43126	46887	40945	29298	28288	49940	49578	1	19607	33302	1	38700	55208	63384	54740	46867	43277	50752	47333	29113	21625	32446	31021	44711	37243	43772	41601	29293	25523	39086	39749	38038	39928	31982	24987	41265	38882	37099	33141	35665	30274	21865	18468	33287	29994	1	37130	37793	34264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
421.9033@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53958	45952	56895	53210	41063	44213	68946	59985	68065	70394	64451	63195	35581	34873	35801	35299	56875	62141	55979	47162	29953	37856	32127	23477	34430	32055	53297	53143	31349	34718	37869	38030	36521	39418	30219	35677	45709	45010	40019	43117	58595	44222	47686	43746	53162	41773	40702	37933	60701	56515	31702	44978	48223	50651	36389	43036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
545.843@0.84949017	74391	74238	78371	78909	61343	58976	89095	81911	75918	71689	68147	63472	77412	66735	56052	67791	76424	76634	65636	71469	56243	53679	80184	69113	65053	69255	72951	67210	84803	89055	33881	34929	33221	36750	32721	32546	27086	37165	33744	29631	32147	36650	30577	29165	36148	36878	27269	35647	32326	33503	16050	16328	35982	32296	35753	32594	36062	36160	83145	79788	80170	73787	103178	114203	66209	73809	76033	67506	61983	63935	119231	111731	56848	48693	63854	61948	70407	54922	55939	58510	85768	87146	93646	102041	57595	55908	99716	104274	101489	108139	105307	111507	75504	62009	119400	124864	117397	110056	74663	73808	114098	105982	89391	82312	80451	82576	46080	44534	82094	82107	75011	72906	76898	86500	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
679.9543@0.89200014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8279	1	1	8213	28595	27229	1	1	1	1	1	1	40220	43244	1	1	1	1	1	1	1	1	25278	28762	17320	21563	1	1	53409	54641	38327	44237	40131	36876	7017	7154	42830	42782	31306	31517	1	1	22304	20858	9038	8990	7587	1	1	1	1	7145	1	1	8490	7641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 2.8370192	217757	163923	224465	225312	216464	273447	264626	220315	192364	237642	157373	295198	158645	267998	73192	66431	284705	220877	169439	43529	75123	136505	249015	199898	183055	234113	186305	267030	494573	119454	261814	163467	479277	160283	121653	170125	505119	248598	215883	174936	128497	499670	154773	131397	114861	114272	136823	406794	220386	117184	93376	89129	143991	148945	220273	98767	335761	331774	1	1	1	1	1	1	1	268607	1	1	205295	1	1	1	1	1	1	337648	116209	1	278049	527728	375897	571825	92734	251386	333394	244977	201797	226732	426377	261915	353533	141436	1	101727	410283	381772	179763	118838	228273	271494	237413	155203	301822	485308	297189	471570	71466	78916	86839	318664	199483	577099	1	565166	403298	394552	345226	106550	378676	407546	279821	180267	120574	335884	274498	107967	270970	226359	266296	1	312394	262683	312852	328030	633998	519242	445178	812245	358000	448451	467460	484234	324731	542990	512215	538076	285544	219719	286697	380029	277048	349113	134001	451127	496959	400419	365788	515396	382211	341919	345468	347726	421289	383855	161499	215616	156151	387978	179564	180142	201986	140927	201660	154842	224138	133989	139923	162454	609087	1021679	186677	182613	315322	416156	225918	242408	188449	276200	166384	65021	242651	159950	83190	105925	88909	106050	100011	48718	541259	331301	258565	322669	89987	222245	112442	200315	163841	261810	112262	71152
126.0318@2.5142055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22821	31632	21037	53717	50559	26856	20490	1	1	15973	13517	29175	1	1	1	27984	17263	1	16809	46602	57227	1	64594	39895	1	30801	1	160857	226705	29771	90129	43299	48901	1	21182	37422	158549	29954	97134	48464	24831	27014	70312	65059	31179	18383	16327	1	1	42328	38019	31158	26610	1	24459	35889	41137	20416	23488	34134	50548	22317	24033	24326	37088	39514	32449	24002	30610	14596	28298	20136	23731	27430	31209	42885	38310	43760	33574	27411	19551	15262	16120	25958	16840	41351	41673	17519	25589	14718	24068	1	24277	29736	48296	23928	33017	1	1	21869	1	19951	1	21544	18384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 8.071935	48979	51087	18291	18950	9358	8932	30238	30648	51461	56011	21563	24323	37439	36835	38551	37260	30361	29253	34525	31374	31929	35286	35866	36132	24163	25663	77928	79956	45005	44817	73789	71478	60466	55996	81841	85666	84415	84661	89459	86995	81610	85267	55510	55650	93397	92913	76491	76231	34360	34443	19576	20160	86233	85768	17253	18428	46718	47216	16163	16601	20437	22289	18101	18999	29960	29283	12967	12983	1	1	36120	33193	36424	39249	13908	12433	42790	42593	37314	39964	10042	9452	11581	12651	1	1	26346	28059	33816	34883	16870	14989	9864	9923	32612	30315	28485	27703	38851	37127	56927	54066	39825	39918	19336	19797	1	1	28034	29826	24562	23088	17561	22744	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8607	1	1	1	20582	20983	13875	12132	1	1	1	1	14333	14234	1	1	1	1	25496	23542	19616	19567	1	9719	11204	9789	33690	34050	19155	18442	1	1	20968	19601	1	1	1	1	17920	16420	13429	13488	14798	13700	1	1	11097	11221	8978	9465	12872	12451	8365	1	1	1	11117	10971	10033	9004	1	1	14217	14553	1	8833
6-Gingerol nullnullnull 13.392008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29256	25093	23109	24022	49519	24181	36254	35019	44855	23087	28786	32314	58130	34185	38165	30062	33697	27471	30631	23300	73409	60143	756607	906879	246539	65301	44831	33931	25293	29284	33374	31735	46646	34470	29081	32438	112184	40992	80640	44073	54340	31557	111170	53031	45838	40090	77987	47664	30608	47336	73795	56515	26765	32999	785423	38349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Homoisocitrate	70698	74397	8136	7519	14204	15715	15510	16050	11777	14125	17763	17205	7200	26509	9234	13872	26384	21116	39254	7602	18615	11619	24535	20233	1	1	19206	16740	18450	18685	1	1	1	1	1	1	12695	10015	10981	10800	1	1	11982	9895	1	14221	15460	12602	1	1	1	1	24510	25546	1	1	18436	20352	1	1	1	1	31939	30504	1	1	1	1	1	1	15600	17439	1	1	1	1	1	1	1	1	32604	24116	25829	25691	1	1	46749	43495	31693	40237	15481	14581	1	1	26495	25518	31847	37684	12234	8975	52589	54014	1	1	1	1	1	1	1	1	1	1	16231	1	8541	1	1	1	1	1	1	1	1	1	7186	1	1	1	1	9826	1	1	1	11123	9778	10757	1	1	1	1	1	1	1	10178	1	1	1	1	1	1	1	1	7341	9709	1	11707	1	1	1	1	1	1	14909	15376	12067	10291	11136	13846	38936	38855	17529	17787	91777	93190	1	1	32445	38940	1	9502	12582	13880	1	1	23429	29067	48151	49177	9640	11168	21147	24335	41981	36645	14280	13923	46913	42119	10989	8762	17279	22260	38409	42059	29108	28552	26989	17018	44779	52026
524.0793@1.1790005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8422	7372	5544	1	1	1	1	1	8180	8357	1	1	1	1	5730	5838	28133	29185	14677	13151	20847	21252	12770	11801	11928	20216	21299	25572	9465	10427	1	1	14169	16233	22561	23080	1	1	48328	47722	7728	7666	5787	7197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 12.146997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67534	59929	72557	72697	109914	86363	80300	67736	60655	62311	74835	75854	73597	76160	36592	29985	29923	27536	35952	30831	27446	31115	1	1	1	31373	31472	29205	31817	27784	31574	27186	24095	28587	29007	24236	43251	27817	28264	24116	33002	34007	26479	39289	29660	24340	1	29287	31454	39837	25015	24950	18402	36267	18601	25803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.8539@0.8399658	30468	31324	34759	28543	34461	35371	33962	33443	34073	37579	38438	34669	34389	34613	32713	34188	31408	27101	30089	33601	31537	31905	30840	26837	37258	33328	32106	32462	29990	32485	38101	33294	34876	32378	35052	32395	35359	35498	33621	37272	36460	38460	34486	32583	30636	31711	34258	36561	32415	34233	32514	33245	40164	37733	37340	38577	39235	39343	31566	23981	26761	30386	50784	54475	28192	30784	28839	28085	21398	26118	46055	51927	43925	48660	54733	54123	36120	14061	21190	20691	42435	44197	37673	44490	19548	23393	52459	51750	47340	47019	45519	49743	29277	35970	51731	54115	52577	62403	58658	54666	57445	52032	26621	41304	43372	50354	53611	51073	42019	44103	47584	49002	63789	55430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
237.0084@0.93972796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22704	27274	26619	27454	30258	35225	15904	15605	28192	31716	79372	77011	33856	34032	15127	12383	22246	22512	12526	16765	21528	13787	37913	40668	41202	44869	70332	69597	23335	23195	27589	23598	29940	29919	19356	19715	29289	36505	43220	41303	14100	13884	33971	32738	15738	19721	24676	24537	56549	50100	22819	24920	24341	23623	25106	28258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6806	1	1	1	1	1	11755	11983	10235	10608	11605	10203	9601	9686	11058	10684	19858	21789	9865	9537	9460	9155	23209	21941	9705	1	1	1	9982	9732	8354	7645	23836	23305	1	1	21168	19690	25861	26359	15091	14774
823.8509@0.8379544	46596	45536	45358	43710	43148	42485	41339	40021	36486	47329	41724	42916	45462	42801	41179	40672	37368	42747	43150	46072	45243	38687	38337	41831	43755	43132	44720	42306	35720	42230	29510	29639	32229	30029	29430	26982	29718	32054	36245	32649	28216	30131	24460	28501	26422	24361	29818	31693	23678	26084	33183	31743	38772	36147	23165	23206	36925	35098	23782	24548	27533	25422	14457	13956	26864	25220	26786	23976	25322	21693	10503	9254	48776	46046	41738	39994	31851	10770	7043	7936	1	7533	11973	12825	20210	24551	1	1	14708	9809	9016	15143	16860	31740	15386	14228	20324	21934	44113	42463	29202	29139	45370	40361	39202	33762	38861	37955	42594	41733	42363	39018	66068	43678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(6S)-dehydrovomifoliol nullnullnull 8.039974	195335	171541	80335	61870	51105	55292	72231	67637	60512	100061	82252	97871	217356	84476	124715	167152	271817	148904	83283	110682	71141	85456	74920	83039	51068	54153	53294	58597	50959	34191	54651	83192	92843	84237	66146	55907	99198	97838	99769	105017	121645	128226	90566	89322	58473	58927	119426	124568	20955	17314	129634	109036	182960	132972	16729	21419	96231	103135	78767	77190	167708	176608	71151	57616	98420	111286	40320	40323	128629	135263	80756	68463	213357	189677	117294	110677	124519	108064	217502	191305	332794	238328	223337	197456	189631	189731	57972	63585	79280	89374	74886	67011	161683	173230	138414	121239	178122	155564	174376	161609	222935	188814	153441	139720	208860	191546	63149	66093	328762	287435	200322	168784	172036	213215	148955	133723	172610	157992	184979	167141	136506	123837	103050	92044	99441	102189	85804	73073	112768	111589	86147	81148	110069	120520	111932	137943	92180	148250	44528	44315	38658	35357	43312	47646	117291	110957	68928	62345	42947	37893	131750	118380	71955	55608	294339	288458	71935	92803	136664	128706	75649	69152	115337	106403	62605	76946	66943	66901	45877	63486	42989	41726	112747	103817	135753	123606	171374	174393	63551	53808	36396	27238	44503	45670	85837	69353	133721	126977	124248	117253	41744	36018	32689	37470	84601	81862	91650	81225	50177	45585	111150	31785	21173	20493	25063	31592	44576	40763	51222	45309
395.9118@0.79399985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27185	27388	14883	12686	21750	19106	19167	19918	27432	26468	15556	19409	22127	20288	13483	12779	35446	34753	34115	28882	9091	11090	1	1	18330	15789	17643	19490	28015	27290	17348	22387	23958	25011	8050	14172	33560	30214	30258	34274	36845	35640	34098	34192	26856	34526	42353	40082	57116	56494	26744	29141	39934	42871	41530	51713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.3455@13.383169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18061	1	1	1	9194	1	15347	1	13369	1	17525	34755	14980	10207	13811	10708	16809	16222	260496	140610	117720	25829	26104	19294	8178	1	9092	13303	20737	26880	12067	11731	36886	15940	31585	13275	27916	21592	37655	34724	21161	16287	84514	71221	14928	14360	22305	29241	9585	14274	838795	9845	21331	20784	15194	13191	44911	21331	35486	23450	15381	19671	32788	30173	26471	38995	24082	27010	49554	20464	46605	33189	31051	23156	25641	14972	48391	23210	24001	29501	18482	37879	43316	14110	33673	22355	14620	16898	15677	23980	35274	12661	42806	25453	14558	13101	20672	58645	74951	39748	20569	7436	56334	30138	26669	44688	31351	21530	16378	17446	18300	33071	170243	51320	13943	20408	23261	23096	33872	33285	22496	15367	22182	32157	26736	12633	46334	25149	34375	49262	18081	32754	20746	51181	22159	12973	21114	24924	150872	34520	17638	26335	34499	13089	49422	79649	82972	20323
276.1725@9.829471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9673	11017	1	1	1	1	1	1	1	1	8561	9062	9421	7408	1	1	1	1	24271	21931	65803	58801	54501	48142	16959	18336	13485	11415	21001	19695	15864	14755	10523	13831	33428	28060	50520	44088	18996	16486	38436	37827	18705	18167	27591	24421	1	1	37451	41642	18265	16257	45584	23554	1	1	1	1	9333	1	9891	8857	1	1	1	1	1	1	9279	8710	1	1	13182	11560	11432	9573	14015	15279	1	1	1	11465	1	1	1	1	1	1	1	1	14663	9045	1	1	29198	27413	1	1	18082	11683	8413	1	1	1	1	1	1	1	1	1	1	1	9767	11339	1	1	13208	12457	1	1	1	1	1	1	11374	11100	27244	19918	1	1	1	1	1	1	1	1	15053	10901	1	1	12883	9865	1	1	1	1	1	1	9267	10446
1069.1841@10.762581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10391	10115	18505	12152	1	1	1	1	1	1	12908	9389	1	1	8298	1	1	1	14364	11866	61820	40033	21143	15761	9406	9810	9644	10625	17528	16462	21658	18835	1	1	23769	12800	25068	14708	12468	9944	23646	19751	9590	9460	29932	11588	1	1	15634	10950	11022	11979	11006	11023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8459	1	1	1	1	1	1	1	1	1	16922	17755	14448	12627	1	1	1	1	13318	10173	34803	27610	1	1	11296	8350	18870	13449	10090	9743	16564	13401	1	1	11637	10182	12947	12217	9224	7636	10291	11084	15090	9347	11825	12888	36687	10738	1	1	21994	15325	38853	48136	14061	12993
C12 H17 N12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23419	18603	22774	15058	17101	19117	1	17294	1	1	17606	23061	36976	27833	38157	25644	36852	18486	29940	23000	33246	55439	39231	47315	60226	74732	34640	37636	45357	41147	52151	49775	51195	45938	14835	22456	46587	45027	54597	74037	26404	16801	56563	47970	19023	40559	39995	28455	1	1	24630	18862	36910	22327	1	37073	71767	70272	73762	66314	84040	86767	75094	73761	72952	60989	80423	84124	76226	62448	79414	79871	71086	71086	85629	80499	81723	83644	75904	82519	76238	74247	61713	63970	66588	72949	73771	74549	71786	69122	64590	62118	66251	70179	69429	70801	85227	85870	62507	62863	88621	93118	73937	76893	65664	65268	65579	65677	63013	62418	83181	83256	82609	83293	73811	81250	71897	69379	84573	72581	51865	52585	49507	49975	51759	56177	68734	60653	78847	92471	57389	55865	62286	61272	67788	70894	57691	57252	79932	73144	55757	51869	75570	62449	71093	66229	59244	56389	63973	65689	67523	70624
C22 H6 N O26 nullnullnull 11.890197	67092	1	45550	48111	72414	26776	47164	42366	74954	31102	36378	29773	21183	1	39356	42343	32735	45064	42600	33552	36549	30126	40974	42056	43392	20226	35707	22868	20443	16632	24576	27946	12371	12577	19797	20887	15367	13027	15678	12833	18164	27665	13314	24038	17496	23280	30658	30380	24941	14590	17689	186513	20827	21662	59295	44239	86026	16318	16218	15564	15339	17812	18029	11567	15682	11019	11597	1	13381	1	11688	8516	40216	22094	12410	9488	12031	15900	20267	30163	85091	55607	43534	31135	19061	18755	16195	22007	19097	17603	34136	27133	51551	50910	59287	27994	47687	37172	76855	28415	46385	27043	19036	26082	70329	29814	12534	15672	22198	18398	12330	12930	57569	1	72821	67489	30690	47264	46938	43725	33971	33892	30263	20072	23703	43835	19295	37579	24906	25898	20670	22750	20973	18299	14360	14676	15307	16738	22635	19138	20582	25260	16986	21452	24338	12125	11739	12085	12243	10932	9881	17200	13415	9075	30326	27451	12968	10625	11970	16517	14969	17140	16420	22410	43213	81465	32315	26977	26326	30436	36264	23884	31769	34952	35692	26777	18444	15109	59854	47846	32621	47974	38073	31691	35846	25076	35579	56121	44197	41700	34329	17974	47601	44766	37466	31749	44322	22471	26760	18817	20078	17803	30767	22258	16514	25921	24255	39992	18339	28549
681.7252@0.8695789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49053	62664	54959	57277	58948	64266	65128	57701	61335	61692	61717	55850	70913	78510	36326	34955	49038	55545	67274	52980	65591	52546	52760	53526	63020	54421	48799	43129	85885	78125	62538	68578	63864	65253	37720	35912	77236	72020	63992	63428	54483	51918	56869	57929	46062	49250	59443	57383	46085	45470	42337	44650	50673	54942	65591	53693	14347	20357	23334	23340	20615	19742	23644	26271	12702	21310	19836	23914	20824	17202	23968	23904	22900	18184	23077	23562	19225	18729	22420	24450	23486	22346	28916	27636	23131	26044	30822	21627	23633	20861	18187	20874	22652	19567	19742	17672	18127	11945	16007	14425	21450	16399	24556	20243	12614	15945	8293	9229	9089	10077	7361	6547	9548	15627	12640	8892	6872	8770	15861	9818	7644	10420	11666	8867	10882	9936	11342	8652	14895	15033	9262	9186	10327	9551	16074	16926	8392	8537	10438	10822	8270	10651	15724	13246	10720	11626	13539	7740	9202	13500	10965	10610
Pradimicin C	51750	51112	16129	19651	7873	9035	29566	28527	54884	55380	22042	23042	38989	39779	38673	39929	29893	29162	34091	35557	31045	32123	33331	35096	23744	24853	83179	84658	47235	43890	76324	75210	57034	56900	90651	87635	92180	86555	95492	92446	88899	87106	55374	54763	98959	101213	76690	78918	34332	31974	17219	18076	90715	90511	14847	14122	45183	44827	16407	16733	20673	21692	18353	18655	27981	29648	12437	11357	1	1	33409	31628	37287	35636	12865	12485	41532	37463	35226	36556	8828	10002	12471	13229	1	1	26816	26786	34592	32599	11993	13537	9202	11651	29298	28590	28182	26624	35782	37419	56132	54279	39862	38780	16664	15777	1	1	25443	25461	22479	25136	17402	22910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22727	20533	12872	13056	1	1	1	1	15500	15182	1	1	1	1	21040	23874	18495	16427	9849	1	1	1	32908	32085	17414	17153	1	1	18235	19959	1	1	1	1	16039	14585	13109	12510	14069	16178	1	1	9697	11526	9424	1	11867	10898	1	8371	1	1	11734	10759	8986	8660	1	1	12800	12523	1	7356
310.9593@13.578002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21348	31053	52418	1	1	1	1	1	1	1	1	1	14630	1	41187	1	135950	1	1	1	59758	97061	1	38654	33249	1	63190	1	400194	1	1	40470	1	1	1	45025	1	54851	1	1	61870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Xanthine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27366	28047	29854	28940	40006	39310	27949	29661	17883	17196	8180	1	25306	27572	28187	28673	23190	23253	40002	40687	29806	29115	29210	31951	38650	41204	1	1	69053	64720	47297	48578	30376	27330	13881	11356	37267	37126	35758	39200	37329	32124	77133	74384	35523	40289	24923	26349	1	1	45746	45285	57329	51249	36266	25999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
203.917@0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69270	63426	60876	52902	77251	77264	53798	54811	58103	62672	46396	43987	107588	106115	33942	34103	44688	48308	52957	59978	74567	67063	92202	79755	83743	79973	46381	46670	94276	93198	75387	80853	79886	72425	41586	35054	80582	84073	67023	72273	51376	45818	66145	62708	47129	51899	59004	57463	36833	38735	48422	55291	55624	52881	62620	72161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H12 Cl2 N5 S4	23544	22986	20876	21403	24862	29129	21156	19197	28102	25582	32105	24928	25307	24757	16745	17185	28810	27795	23333	23758	21401	23375	17447	17922	24337	29174	21546	21361	17406	20026	40632	37444	39361	40746	37800	35382	39553	39007	33277	32908	38153	39701	33754	35440	25676	25451	29522	30432	32741	31398	18968	18966	33656	34545	40996	44837	39781	43143	22249	21503	18556	17277	17673	18390	25401	21586	28961	24729	18649	19162	19375	16281	19401	16800	29593	29946	28031	28475	17651	17971	10399	1	16608	16706	19189	19853	15324	12633	13650	17318	16478	16579	12937	14061	19443	21182	21456	22749	29561	25660	19737	20842	24333	21979	28464	27597	33543	33362	21381	21968	25031	25903	37712	28523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Uridine diphosphate-N-acetylglucosamine	132636	132714	144402	147670	99436	97052	178570	171082	140634	144823	102698	100772	136251	136521	126831	123450	117660	120249	118927	119835	82636	86964	186938	191970	119971	131197	124127	123164	177932	184194	44053	42528	44025	42041	155085	150379	32378	31895	51978	50287	68212	62371	40375	40416	48438	49688	56868	58780	28617	33165	10952	12694	72369	66275	12989	13997	94824	98392	15457	14373	16709	17359	58440	55191	15154	13187	11308	12669	11700	11760	39170	39058	13063	11970	13157	11216	11497	11040	21123	20692	33413	35457	33662	37244	12213	11740	60273	53696	43196	47166	30053	27357	7823	10550	49891	50472	43583	42402	21462	20753	49783	50360	17631	17352	16650	16982	9304	1	15671	15458	18494	18820	21283	19202	28304	28764	32032	30519	39072	37633	32260	32775	20307	20284	34418	38187	45035	45281	29408	30454	29919	28813	38383	38567	35059	35808	32265	28900	30285	29726	28970	29353	31029	34522	19679	23598	30946	33113	28711	29647	35136	32486	30380	31118	45978	45187	24012	22652	51079	54469	26562	25520	21238	24289	97551	98275	87618	89254	65324	60393	33466	34719	144028	155736	98881	101185	95269	94603	102572	100442	160610	151651	78690	75295	142238	134647	163786	164477	128449	127432	151223	150253	165653	164951	105435	103552	156525	151009	94997	93456	134964	138787	52519	50237	121566	124989	170083	170177	131294	127593
541.762@0.8595317	30054	33021	33612	34375	38927	36630	26178	28868	36113	35112	37629	31971	36555	34838	28953	21978	34340	39619	32127	28668	36203	33731	21175	28550	30390	35161	29776	29834	21121	26632	61862	58615	66141	62781	64795	61030	62362	65814	51470	54834	62679	57144	59586	56032	51784	50475	52804	52927	58080	53398	26880	28271	52289	48717	69730	72386	58618	60866	51532	51634	47928	42887	39974	40316	59004	57790	61081	63108	50299	47871	53773	42163	27665	28608	57910	57571	61968	83442	53726	55819	41603	40976	41098	40288	46919	51261	48903	40130	34082	36000	35514	32813	21743	17895	36037	30661	34722	30857	50940	55506	38574	37193	41839	41911	46689	37558	64258	65537	38629	36653	46799	48485	50976	46223	31124	30375	41062	37653	25519	24330	37606	38282	36800	38427	33107	33714	34968	34562	34283	31982	37219	35869	31230	30952	31712	27993	37369	39291	35474	34564	37799	35599	33916	31657	42027	39718	35710	34625	46251	42756	36727	36589	37685	40546	18830	14811	36887	38613	24311	23772	31739	28245	37630	39758	12402	12814	14554	16081	15263	13132	27410	33358	11665	11140	16413	16241	26095	26184	15977	18335	17709	17263	18658	21610	14012	14706	11981	11692	18714	17427	13190	12008	17880	15153	18376	18196	14107	11529	18022	18156	13615	13093	32534	33737	15017	16771	12298	11883	12112	13334
118.0282@1.1829995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23572	20434	25073	23467	80966	79846	27991	26566	19447	12051	15854	16314	60863	61905	10928	11214	21089	26694	25246	25306	47981	44866	55033	61556	29634	36682	24099	25706	31388	34679	37872	38583	28625	31052	1	9384	33298	35357	38516	35062	33715	32972	36934	32900	32429	37195	35241	22457	23251	22731	9526	17308	19598	18359	34988	42018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Lysine	11238	11154	10054	12213	9348	10506	1	8331	10960	10322	7581	1	1	9594	10623	11223	1	1	1	1	7329	9531	9563	12199	13715	16721	12222	10113	15189	18247	36714	37220	42776	40029	28209	26298	20668	17860	30584	28698	31031	32830	16811	17841	60642	57279	39142	47093	12997	16806	12335	13315	27625	28524	8958	7656	39821	38723	11443	10052	12969	13301	8904	1	13920	14801	1	1	1	1	11001	10107	19479	16509	22587	24809	14741	15841	20533	28039	17520	14433	11418	12305	6772	6702	16182	17564	11720	15584	14472	13168	28407	29909	24358	24437	17998	19029	45711	48276	27482	28936	37488	43357	44101	40683	11415	12417	30830	31280	57428	57409	51592	51379	13060	12821	12705	16040	22987	20338	38579	38787	18581	18927	38545	34903	14857	17147	12908	13744	23278	21513	38121	32790	19911	18073	21313	19322	31439	25426	15139	16098	28738	27662	13655	17327	15763	14533	20665	23533	13592	11614	18776	21571	22994	24908	17088	17117	30293	29666	15444	14445	27362	26283	24762	22867	33344	34702	24935	25433	40013	41390	58523	56977	24358	23422	46356	46635	21040	22625	32860	34723	23039	23910	39402	39827	53486	55125	25627	25422	35579	38831	54361	58390	23614	25460	52347	46187	28715	28016	34633	37888	46626	39439	40543	40880	37930	35425	51501	47087
509.8131@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	247200	243716	197727	192188	196155	202403	231114	235971	251962	254963	192477	199228	183983	178901	160446	153326	263906	256490	245191	217234	165043	172454	105591	119408	153371	167929	188073	191852	185031	182883	176961	195030	207837	198688	154746	161332	236747	231789	216972	209556	231122	225833	216593	209280	218842	217675	217932	224087	247657	261428	182335	180121	242515	218822	274558	254728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.94@0.8394947	28834	27261	29838	30433	19545	17768	34343	34788	26896	29064	19478	21015	20913	23129	26589	24922	30803	29839	27427	26208	18685	19441	34642	34195	24402	23762	23389	24869	34534	36506	1	1	1	1	1	1	1	1	7596	6453	7593	1	1	1	1	1	1	1	1	1	1	1	7777	7537	1	1	1	7643	49204	43920	38962	41707	42220	37180	48500	47319	45741	46113	46311	47130	33701	38198	47012	45269	55858	54481	49881	39684	30577	36391	23690	28909	26093	32339	44350	42239	44324	45829	43606	45076	43835	43180	47575	47014	49800	50418	45071	48887	50135	46963	47474	47150	49788	50737	48491	43633	54503	59677	48007	49392	53298	51160	66686	55959	8443	6790	1	8662	8814	8984	9474	1	7604	1	8612	8503	6939	6800	8129	8921	10892	7811	7035	7172	9536	9595	7899	7084	9494	1	8330	8351	8695	9454	8253	1	8417	7511	1	6777	1	8522	7099	7870	10807	9783	6188	1	11157	12335	1	7805	1	1	8684	10320	6935	9178	7997	7121	1	1	12608	12470	10131	8082	10044	7141	8857	8889	8127	10754	8331	1	14779	13953	19003	18884	8996	8308	14729	15232	17011	16632	7672	7120	15927	17306	9193	8734	13836	12578	1	1	13019	11680	17269	17623	13048	12226
4-Deoxytetronic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75094	84704	64071	58141	200076	204641	155201	141889	71326	72665	39730	45384	143262	154442	49271	46280	79071	71247	126274	125202	141211	143622	191694	177884	268524	269057	71016	71499	291878	286197	274513	267328	143734	156877	1	43584	281249	289471	270871	267483	157733	158958	382345	386671	109002	117222	124232	104679	81799	79749	109166	118747	70259	73233	85954	108506	20164	17383	22108	23009	29994	24213	28192	24613	1	16782	18870	21277	22733	22381	16214	29520	21078	24632	27803	24495	19484	20589	18677	12553	24003	17119	25895	24351	18104	21862	1	1	25909	24521	32305	31882	26902	29368	29548	35638	30719	30364	20396	23183	45327	42316	24650	20064	38169	37300	64201	77824	69835	62929	93009	99367	61312	53387	184922	162534	56238	63592	136073	140894	44209	39459	73534	77571	64629	62563	177262	188443	139770	140727	76926	82374	250228	247813	153392	151212	73052	70927	122833	130670	48669	56314	141051	160312	85120	75482	133141	144295	186794	181787	170859	176761
727.8048@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57705	54440	51304	59223	85433	88644	50372	51081	53434	46604	47720	37666	82809	84554	55659	59094	52066	54840	45057	35200	33299	30304	60900	62461	61370	68096	44880	37260	95911	92737	110647	110251	114579	122157	116825	119418	146840	143353	125133	127183	57182	54363	124937	121443	70922	67976	67664	69543	43880	38768	67348	61466	54731	55308	101128	76019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3'-CMP	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10213	9386	17800	18729	49238	48403	15201	17993	15521	14588	18055	17081	41036	42881	7395	6846	14363	13073	10446	11467	27376	27649	38086	37032	23313	23637	19053	18329	50608	48336	35717	35560	27080	25525	9642	13332	53216	54156	26876	28527	19076	17791	43037	44839	26101	24980	25068	24027	17006	20322	10514	7539	10396	9420	28656	25435	8479	7104	14988	16574	8959	7397	10813	11106	1	1	11273	12045	22675	20797	12622	12159	10015	8500	14243	11303	9956	9734	9740	11421	13618	12439	17121	16848	12309	11580	8199	6909	16338	13768	8876	8933	14460	15448	8854	9920	8598	8878	1	1	17240	16149	10480	10775	7808	1	21199	19331	12245	11228	13216	11082	8122	6590	22730	23613	13411	13668	18036	19321	16316	15977	20423	18286	13926	16962	23296	23646	31210	34561	17036	15989	27496	26823	26261	27127	17551	16955	32877	33592	18210	20641	23933	21944	8159	6754	16352	16373	24185	23227	23192	23498
297.825@0.86771613	65572	63275	70893	57713	87387	88717	67749	60003	64040	63952	84392	86483	76920	72160	72260	74048	63466	61829	72176	71760	83834	86530	44821	48828	78755	81352	71213	70981	55712	53174	134793	134324	144903	136690	131641	138253	141628	146684	126092	124398	134470	133262	132100	133251	127865	136542	128450	133404	147157	150123	78574	76623	126044	122563	151334	158144	129987	129311	30371	31069	27359	28529	14358	6029	38294	32567	40315	39780	45880	52026	8614	10025	35506	32468	45480	46451	38517	35449	27112	37474	11258	10860	18431	14111	44448	46514	1	1	1	13916	8116	1	12457	12312	11243	6886	10407	15055	46587	40728	11682	17051	30245	39508	35389	30190	52370	50322	32798	32155	40478	38835	36411	35523	25098	27449	34896	28582	24394	24804	31187	30653	27767	32340	31391	26437	34567	31909	26230	30651	30627	31048	30084	31003	29751	29808	30105	30785	30628	31010	34007	33203	31873	32828	34773	32581	28072	30242	38823	33313	32559	31024	31109	31268	21193	20204	32316	30980	25280	24596	24292	28004	27839	29776	23438	18484	22175	25408	21373	18963	26603	24517	20994	22224	23417	23200	24898	24631	23799	27330	23769	25269	21800	23090	20767	20202	21326	14388	23253	24271	17253	20572	22865	22964	21079	23377	17902	22039	25065	23869	19441	23243	26470	26948	20501	23038	18727	18173	22874	20823
Nitroprusside	54242	50327	44165	49219	41775	40097	43756	43196	24050	51322	22703	39483	47961	43160	33003	32163	66490	53433	19298	41981	36657	18484	39190	35770	20416	48586	37300	35864	36581	36610	51101	57892	59731	61596	61687	55157	57879	61410	51632	44882	57747	61795	52835	53233	8135	35397	43480	39885	60513	61117	41554	41739	52734	49391	74803	70488	76367	74895	61558	60827	47577	45426	45910	52954	50957	52437	58740	55047	51437	47628	47645	44449	48657	37929	67755	64610	60170	58939	38458	41531	20273	14871	40337	45297	42457	55470	45146	45899	34079	47337	45716	48858	19559	39235	52833	52894	45451	61172	68519	71416	53829	54162	59902	57832	65508	64649	71132	70936	55631	58144	69886	69924	77361	68412	1	7548	1	7969	1	10587	9175	8251	1	1	1	1	6941	1	1	1	8420	7959	1	1	1	1	8906	1	1	8978	10521	10080	1	1	1	8742	1	1	7289	10236	1	1	1	1	1	1	1	1	8432	8764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
332.8335@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43935	58480	45073	49058	57925	59982	45236	47235	46853	44899	37698	41199	68200	59706	30733	31442	45902	41724	45081	49601	55648	53713	63730	59322	61586	55755	41207	41815	52727	55367	52733	60536	58919	54511	36404	38235	54240	57905	59131	53989	43426	46530	54861	53476	43877	51359	53673	45428	42870	38266	47119	49841	45688	46721	59798	54904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.9883@0.88322854	20510	22461	17082	21955	13481	16165	16632	17921	19982	20356	17180	15257	16010	16828	15557	15212	22673	23806	18381	18684	15138	18613	19326	17008	16716	17221	17993	15986	20356	18192	1	1	9858	12167	1	1	1	1	1	1	10077	14621	1	1	1	1	1	1	1	1	1	1	11925	14684	1	1	18895	17868	52596	61548	59335	55002	74548	70186	65453	58412	63000	60578	48824	46460	75547	78561	45082	38699	45751	47425	55525	73072	75598	64781	69432	61273	67098	61511	45483	46253	59175	51857	58932	56585	51716	57589	44614	41956	62716	58510	63233	64275	43668	47669	60777	65659	47727	49542	53881	53653	43708	37873	50600	47754	51204	49319	64565	60757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 1.18058	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85401	1	38486	1	1	9650	1	47535	35198	20186	1	15380	1	15611	11680	1	1	1	1	1	1	1	1	1	8960	9384	1	21918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13646	12786	1	19040	1	1	1	35324	1	1	1	1	1	1	1	1	13487	15735	19002	19998	19566	38870	34513	24568	25146	5455	21655	78214	18639	26150	17520	1	188892	24868	28429	48004	16291	38391	21205	40736	54461	18682	17150	18321	19245	17731	25919	20015	17643	17588	18932	17828	123145	9709	16076	29099	1	18489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
853.9913@0.8910003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6338	1	39787	39046	1	1	1	1	1	1	45401	46776	1	1	1	1	1	1	1	1	32427	34345	21352	20727	1	1	52875	52353	47364	46706	38747	41844	6521	7107	50554	51382	37340	36643	1	1	30378	27204	8849	8573	7120	7676	1	1	9089	7749	1	1	6821	8154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.3938@11.201997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24993	13898	1	1	1	1	1	1	48880	20749	1	1	1	1	1	1	32088	18078	320353	33960	26513	19008	22801	8355	1	1	1	16429	22651	14558	1	1	49261	19546	51534	22159	1	1	55042	12401	1	13782	41095	1	1	1	28451	1	1	1	11160	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.0627@4.818775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31346	1	1	1	1	1	1	1	1	17057	1	1	1	1	1	1	1	1	1	118481	1	97831	1	1	1	100383	75066	1	1	1	1	1	12718	26664	109374	99036	1	1	1	161170	35824	187978	19413	1	1	1	1	26240	325371	24070	24190	1	1	17826	17635	19635	14878	16635	26087	9249	9927	15788	11498	13676	13285	8820	11284	14268	11399	9970	14628	12064	12158	13799	16723	14833	17286	10589	9824	9655	7860	11841	9839	14577	13357	8827	14810	13412	1	10983	8460	13018	17283	30616	19066	9062	7915	16375	12871	9516	9226	8004	8957	1	1	1	1	16898	9822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11055	16190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.039@1.5629998:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34474	31003	12117	14196	31069	31685	1	1	8355	7938	1	1	56903	57512	14680	14258	1	1	15218	12874	1	1	34391	29666	48188	50036	1	1	48002	46986	44428	42492	46811	20404	1	1	29870	26963	63300	61891	1	13252	26310	26615	13944	15129	13154	15137	1	1	29205	31696	24303	25975	17306	18717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C8 H13 N5 O8	28007	29096	33515	30298	34408	29293	30610	26214	29218	28796	28146	25882	29847	25727	22378	25139	24165	23525	27100	24638	23748	26876	27193	35319	39808	45833	36397	41792	35673	41284	35143	34850	37551	37522	36718	40621	40171	35794	39359	35717	35994	32037	33853	37169	34904	35844	34257	41127	38738	38976	17469	18155	47258	51787	47986	47128	48007	45480	29980	28970	30469	33072	29999	30641	33248	32580	35076	33941	32455	33563	29318	27853	28586	26042	39479	43405	33486	33750	41286	38223	36412	41073	37521	36812	37260	36736	27164	28312	29806	32472	32979	30951	17508	20172	44346	41087	41965	44498	48520	45671	40836	42495	42377	47409	44033	44094	46374	48218	47685	48701	47835	47788	57268	50887	52014	49163	52972	53437	56239	51715	57571	51778	51049	51426	50715	50708	53075	51119	50536	53672	48907	50561	51591	52712	53081	54392	54445	51634	52419	55395	52102	51619	52055	49895	54920	53865	48589	46727	52511	48705	48639	47177	48887	52452	43685	46234	48624	46044	49700	53812	46570	50258	46022	47815	25585	26948	25715	26720	23714	25705	24008	25781	23257	26395	29449	26481	25987	25481	28995	31542	28617	26412	28821	27961	27227	28575	26333	26048	25801	28015	26420	25129	27229	26266	28226	28232	23435	23089	30427	29967	27530	25865	26200	26381	26405	26695	25400	27468	25458	27403
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661.7506@0.85749185	39803	43847	46590	48585	37116	28320	45718	43851	44600	38525	32547	29083	33633	43707	36725	32070	50708	44406	42814	32833	24869	30152	46829	46093	38812	45192	38832	33058	46760	42063	1	12198	11142	16285	14395	14546	11948	12733	14841	10681	15441	13860	10300	1	1	7377	1	1	1	1	1	1	13136	13257	1	9573	18213	20683	55369	67018	50655	51724	61846	70850	48717	47515	53363	39210	37792	44564	83469	75771	31904	39325	39775	42630	55466	46061	54060	53432	56564	62795	64480	60524	39106	35591	74588	64442	60346	58200	64256	58288	32194	34622	57388	63686	63587	59063	39971	36306	60329	54807	53869	58282	49421	52120	33793	35750	45278	49752	53589	42450	60284	57253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H11 N3 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9123	1	40018	20087	21136	10525	31154	23180	18591	29185	14724	18466	22082	16566	1	41179	9488	29896	1	12903	13552	7195	10095	64055	1	11230	13524	1	1	55638	9141	49804	14366	1	7802	1	20924	31668	14334	1	13028	1	29271	18309	1	16447	15662	14451	54368	1	15581	40568	1	9719	98593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H N2 O4 S	19315	15749	16058	16953	12845	11794	18306	16070	19925	20768	13305	13083	14994	14312	11038	12894	17651	19047	15305	15060	10942	11734	15191	16526	16160	16608	14785	12429	14772	13583	10982	9287	10663	12133	14645	15459	14129	10301	9504	8522	15293	14859	13189	13041	6510	1	13826	13262	6288	7161	9676	10009	13174	13380	1	1	23592	23698	50599	49481	32521	38326	62577	66158	39721	39191	42550	41025	32855	31783	68872	75240	27864	29080	38235	32569	39852	39271	29403	29787	49334	47187	47071	46587	30913	27223	64101	59957	50283	48268	56834	54112	23726	26031	58174	54810	51788	52809	26524	26001	42810	43694	34443	35828	32594	35674	35963	27156	31427	28417	33714	31859	39343	41085	18178	17814	18124	17511	36484	32899	22861	21060	14092	14015	22850	21712	19077	21131	18111	16626	21111	20654	16548	15810	12601	12084	15710	19347	20809	20802	19060	23205	25229	23139	19255	16526	19354	19818	15847	15101	23914	22156	13648	14594	24339	24542	12859	12444	35392	41673	18729	19349	8769	10076	1	1	1	6673	11551	11343	6786	7294	13430	14052	11619	13087	9767	8358	7463	7162	7282	9514	1	6011	12330	13396	15121	15257	8414	11898	11694	10557	19278	20592	7615	6765	15072	15676	7443	7598	13789	15158	1	1	11487	12411	10188	10275	11254	12201
465.7997@0.8692053	31557	28858	30350	33397	31347	24859	29410	28926	33164	36278	28294	34042	31339	29809	21688	20353	38802	31833	28858	28073	23628	25960	23191	27353	25179	28859	25014	28995	28031	24110	29066	28322	34906	39627	32986	26567	30946	32295	23225	20332	33293	32444	23696	22136	17429	16975	22894	22215	19417	22860	11831	12390	20449	21718	32451	40065	36707	32799	42710	44340	41839	40682	39161	29130	49292	52150	53913	58429	45289	44010	29968	34834	28468	25406	52599	51595	56388	58296	46000	44187	32707	28525	35620	38046	43763	41501	30727	29161	24442	28263	35823	28383	18929	18875	29220	28642	29630	36897	38094	44965	29596	31886	33415	34482	45830	39608	51049	58353	29427	31836	44566	37381	46460	48158	8585	8705	9989	13968	15362	10122	10350	12834	11696	12322	12990	12716	9189	10831	1	8490	13059	13064	9385	10205	9752	8473	15197	14814	8690	12455	13695	16040	1	9971	13360	13558	10504	12242	14342	17541	13754	12369	12114	15430	1	1	8911	12297	9769	11008	1	9764	9548	7674	1	1	1	1	1	1	9984	8825	1	1	7429	7935	1	1	1	6892	7682	1	8716	1	1	1	1	7487	1	8081	1	1	10159	9250	1	1	6366	6576	1	7068	7888	1	1	7866	1	7447	1	1	1	1
1572.8293@0.9820001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6272	1	1	1	1	1	1	1	32562	33110	1	1	1	1	1	1	1	1	11885	13441	6544	6592	1	1	48537	50831	23547	23428	19007	17184	1	1	13701	15181	8032	9138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
685.0912@1.2464025	6336	6730	14070	11856	6856	6643	17729	16224	9975	11560	11687	11753	13492	16811	12784	13276	7231	6060	12057	10275	1	1	23368	22655	13438	15781	7912	7407	7850	9169	32656	32251	46637	46157	11493	12008	31891	34160	36672	38539	60846	60541	28041	29980	26291	27553	52497	53403	9663	11205	9824	10644	43245	43672	10237	10739	94498	92079	1	1	14543	15674	41588	38303	1	1	9302	9560	12183	14886	63065	66889	1	1	6679	1	1	1	9911	10404	34227	37658	18840	17720	15186	14327	41349	37661	31161	32314	40458	46116	6447	1	42670	40362	20654	22228	8482	7035	17230	15753	1	1	10251	1	13284	13630	1	1	1	1	10784	10147	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
595.5358@0.86437654	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16508	15101	19750	17225	19075	14570	16504	15203	20488	16733	21109	19780	13517	14540	14829	15364	21627	22516	17695	14604	14651	17158	11709	13830	14438	13124	21570	24786	19688	18680	13848	14779	12926	15138	16639	14743	16763	11590	15633	12366	21110	19623	17305	13526	16967	20931	23450	23255	20694	22380	23251	20433	21922	20292	18655	20193	8077	1	7706	7929	6747	8130	9365	9343	1	1	6717	8881	8017	8000	7851	8157	7395	8041	9297	8616	7590	6236	7117	6948	9369	10171	7718	9558	9773	6772	1	1	1	7307	7606	7264	9448	10007	1	1	1	6426	1	1	8613	7335	8364	1	1	1	1	1	1	1	1	1	1	1	8071	9848	6970	7639	9666	10249	1	1	7041	6983	1	1	11468	9863	8190	9692	8123	7213	8752	9358	11057	12008	1	1	10297	7287	1	6645	9024	10823	7130	1	8520	9351	10257	10659	10635	10741
C20 H24 N2 O22 nullnullnull 11.909054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41618	97545	159400	125743	44927	51383	102355	126211	47628	50148	57228	125120	65518	64189	59239	70653	35704	62752	60990	22924	28843	66945	80539	34579	96710	57690	66563	61647	67501	62429	56592	73835	55932	26354	72916	58576	77035	55902	64927	70507	65072	65253	70587	61693	36746	64110	77584	68020	48522	51429	72480	1	58482	58259	88812	40214	43452	13716	23016	15997	33236	37590	39543	16624	22383	22284	33207	31864	1	41020	23592	30373	41150	29572	45832	50375	24936	41364	24144	25263	24428	43550	32378	46540	31774	31253	25831	27820	28682	21664	27413	29517	28191	33068	23154	34266	42026	31175	18744	28015	24778	20451	29781	20825	44716	21692	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H10 Cl N4 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13710	15038	16862	15195	39706	43405	8078	9335	10338	8950	1	1	49552	46684	1	1	1	1	9077	1	12551	13961	40576	38902	38336	37529	1	1	37689	39398	36518	39973	40487	41216	16753	18055	44572	45591	40924	42247	7915	9919	37268	36824	19441	15360	18765	16145	1	1	14364	17852	15125	16097	21099	18761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.8593@0.847147	70432	73755	78109	78131	61519	73257	75160	71408	71567	72008	70215	55489	74746	66596	66853	54098	71756	73180	59417	64797	60554	54439	73958	76021	58749	62931	71169	67303	76408	73688	64835	64386	66978	60564	55679	63619	66833	65809	56914	57509	61487	68401	64211	64061	58281	69359	47978	55876	69141	69284	29447	27907	60123	59817	67708	66087	68030	51801	36781	33014	33437	33288	28822	27945	41918	33866	34789	38976	35323	31389	26009	24059	27410	35195	35417	43096	36551	21647	20533	20494	20505	22926	25799	33977	26560	28374	29708	27874	28233	34365	25430	29171	29422	34191	35337	36853	31717	40134	41327	37121	47551	39089	41428	40475	40110	42202	33710	35878	42658	38506	39641	45687	36779	39344	11140	10788	6366	12933	12606	11416	13456	10692	6624	12683	14922	13172	11237	11968	13774	13301	11402	9243	12881	12941	16548	14665	15030	9753	7868	11911	15202	13634	12331	12243	13206	8721	13340	11265	7921	10194	13914	10359	12398	10570	12646	10934	8441	11151	13437	15460	9373	15296	8969	7976	7206	6989	1	6991	9189	7968	1	9113	13581	13086	6607	1	7130	6860	7358	8234	1	6733	1	5814	10016	7697	15222	15498	7192	7329	10033	11336	14782	14191	1	1	10438	9614	7337	1	11336	8473	7330	8345	7366	8674	10759	10159	11029	10200
242.0877@3.3407345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29373	25871	26373	27414	44422	39716	26993	33233	23048	21686	20619	21759	60460	59580	16996	17718	28794	35805	24623	21864	39218	38950	118186	115382	140585	135398	16248	16212	324786	324548	222115	225969	165441	168744	1	14068	167058	169447	173429	181111	20985	25023	187492	193973	23838	22630	59597	61423	15253	13766	22467	20323	23853	23516	40555	49299	34397	13803	1	1	27998	37539	44097	34016	1	1	10088	1	13363	22953	1	1	35200	1	33568	1	37543	13974	20489	34522	42353	1	13506	33774	1	119498	1	8656	1	12688	12099	13560	1	1	35700	31180	1	27215	1	1	13653	57075	1	1	55838	39380	1	1	11955	22156	1	1	22207	14445	16098	22128	9934	1	15897	17086	25412	23227	22218	25463	13775	16748	28251	30452	31277	30235	21024	13283	21690	35466	28813	31056	11648	14282	34266	26643	24168	8413	45615	42785	16405	10896	30095	38387	34245	32450	34965	29309
C6 H Cl3 N2 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31762	36738	37787	39429	35087	34393	38795	37860	44258	38680	39967	38622	44202	42302	28632	26568	41336	43199	36890	36224	38379	37172	39001	35375	36225	38421	40491	37151	40023	34795	29913	31504	37933	33737	22207	22933	36284	44071	37496	40377	41010	33561	34797	35832	36206	33426	35099	37840	43221	42402	39908	39177	39089	36481	41494	38798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H17 N5 O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11615	12283	13834	13753	51437	47584	9356	9480	1	1	1	1	45086	41408	1	1	1	1	1	1	8649	10189	35651	39449	28295	31020	1	1	48502	46546	45530	50754	38550	40643	13187	14036	51006	50957	42113	41131	9524	6930	36166	37512	21339	19656	16918	15963	1	1	17250	14737	13133	14287	17003	19986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1041.7559@0.84135085	43841	42292	43242	41360	47771	47794	40827	43693	42739	46168	44416	45457	46036	46097	45603	40868	43655	47564	43919	44142	44138	41763	39403	42775	45576	47861	43281	44407	42112	44784	45260	36951	41247	40071	33923	37435	39368	39016	43102	40722	37436	39181	41004	36445	40140	38384	42058	44510	37444	33390	30258	28313	45917	47895	34714	35425	37737	40857	52054	50788	49744	58990	39402	36281	53092	53944	51052	57955	49217	47318	22609	35431	46263	59460	65869	72909	62090	28935	19329	23602	20001	22551	31354	37490	46242	46372	28485	30357	39648	38642	43609	31664	40734	49533	46099	42749	48406	50200	79272	75748	52255	50731	69720	71553	66876	71283	66866	69541	64392	59895	71776	67934	70175	69029	21939	23993	19957	22992	24218	23616	23897	23645	20981	22270	26339	25153	24038	24852	27194	25213	24221	25662	25310	28933	30547	25031	27988	24755	25692	28855	26718	24961	23910	27158	22793	20377	24514	23459	21973	18499	27243	24802	21958	20061	22454	23758	18964	20666	23742	24935	29920	27056	20385	20834	20431	21474	21038	22247	20753	20394	15405	19126	22699	24054	20780	22374	23351	26577	20594	20581	21867	18672	17148	20362	21608	21226	19228	23715	20220	20626	22915	22341	21369	25158	21080	20469	23572	20768	22854	21058	22996	22923	20865	19977	22981	24547	19021	19929	26079	25868
644.0825@13.406003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29853	34421	11046	32073	16912	32374	24063	25044	23855	17549	30499	18607	30088	14400	1	1	1	1	29751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18318	1	1	1	1	14889	1	1	27319	20106	19401	1	1	1	36560	1	1	1	1	1	22743	49903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
375.9994@0.8780002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9364	9997	9245	24896	28648	1	1	1	1	1	8240	44705	47553	1	1	1	1	1	1	7887	9181	36051	35501	24552	25367	1	7519	39429	36588	29556	33516	38229	36316	8997	1	34864	35053	32017	30050	1	1	20765	21193	1	1	8915	1	1	1	1	1	1	1	9381	8932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.9799@0.8909998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56204	56381	43481	43255	146019	144881	24522	21591	26035	25596	23833	8441	197086	196401	24540	24632	17196	16686	31373	29560	42938	44075	157150	153620	106793	114205	23702	8893	284456	280832	190207	192024	168473	157990	50404	53201	194635	186080	134037	140316	26402	28492	111757	112688	55239	54107	46923	50851	13031	15833	51930	50475	47911	48252	56361	60029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
550.6948@0.8700184	27228	26772	26097	27622	24996	25215	28148	25736	30514	24122	24510	25739	27750	24486	21350	22038	29227	27399	25597	23864	19061	21302	24417	28731	26130	28980	26236	26854	27811	28131	10114	12666	8785	10476	10919	11544	11172	9679	13778	13468	14115	14566	10841	1	12553	12286	12229	12038	8230	9120	1	1	16953	12781	1	9965	17076	13762	47769	40441	42455	43905	45284	41257	49392	42947	49748	48954	37958	41864	35431	34832	34722	35910	42428	48703	44154	40558	38624	37610	28965	34777	36547	41045	44433	42126	29784	30612	28072	33557	32312	38045	26197	30643	36615	33488	36633	36982	51903	42457	45238	41494	45924	50186	50532	54514	37763	41353	50129	55789	50485	44119	59923	53668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H4 N O10 S nullnullnull 0.8359989	1869227	1857185	1848557	1839827	2184481	2129176	1738777	1734872	1847994	1886499	2039379	2035100	1965675	1970330	1949864	1921826	1739789	1713818	1863346	1828937	2059181	2057577	1619220	1656489	1986398	2092352	1947283	1992904	1737695	1754514	2609388	2581038	85722	2611140	105839	2623003	2648491	2659072	2664489	2631723	2641466	70724	71326	2732612	2710228	82536	2712119	2709123	2772621	2840693	2888701	2794493	2867723	2775576	127933	2842246	2773674	2836650	1211375	1205285	1290766	1287398	850422	93062	78927	1447383	1439226	1448212	1423604	1427972	501613	500013	2144162	2156722	2204850	87748	1642367	941060	663932	96270	431997	490713	671117	786900	1315744	87903	438150	440586	691468	712520	764363	765621	1504740	1585691	115774	968141	111222	122152	106450	2264840	1430423	1455587	1961076	122173	1958140	108607	2316874	2279604	1941948	1961372	2055512	2075740	2581838	2104321	2227416	2325439	2341733	116959	2257537	2298077	2279113	2284178	2399934	2415789	2274479	120843	2298683	2324415	2311062	122915	2303666	143946	120313	2171941	2197323	2215321	2206592	2242764	117342	2214830	2252280	2251806	118125	2240759	2292706	2287690	118158	120968	2365999	2356136	2321545	2309585	2342093	2328000	2140609	2158007	2368540	2398040	2173290	2150942	134817	2258653	2337435	114395	2401488	2385085	2421429	2375983	2357206	133151	2605438	2659286	2183773	2200426	2467710	2502392	2528525	126836	2652502	2590785	116570	2530709	107736	2664683	2398876	2356742	117162	120119	2571909	2523123	122105	2323401	2272413	2306292	2581819	2501667	119941	2243259	2564497	2619760	2417111	115362	2766519	109080	2428369	2435037	2325979	124998	2384953	2373231
C18 H43 N6 O13 S	20084	21204	29441	27691	26437	21979	13936	14978	15733	14405	17421	17105	20709	13762	13010	11042	32433	16699	14871	10945	13826	18993	19183	22387	33603	31611	25949	29391	21494	27295	23409	22818	25816	23456	29146	28473	26029	23610	41231	40693	29923	27708	29021	28632	23673	21568	40529	35866	18306	19228	1	1	56411	49227	26226	23368	43515	42992	1	1	1	1	1	1	1	1	1	6238	1	1	1	1	7971	1	15033	15731	13672	15599	16940	17384	13420	11850	18340	15003	16606	14627	10486	11101	10188	11307	11274	12909	1	1	26517	26553	20183	19189	26952	28211	26108	22583	33340	33051	52674	42182	35399	32875	40588	45112	39588	40993	21933	53833	7647	9263	16072	13825	15241	14147	16407	17857	12288	11247	12028	12023	10041	9547	8245	6460	8655	7064	10539	10295	8897	10474	14087	13217	10871	10193	10474	12225	10927	11731	13578	13557	6697	7066	11258	11701	9355	10127	12946	9700	1	1	8995	10340	10948	11735	9881	9353	9695	11299	15881	15770	20910	19161	18057	18059	14462	14504	15870	14728	35989	28496	18073	17909	32716	28667	28989	27729	30993	26372	21766	20309	14855	13761	26432	25158	17362	17092	18698	18137	31382	28513	16860	15729	30518	30074	28857	22793	24318	24217	24072	23780	24901	27887	22466	21370
220.0226@1.5760001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15015	15548	15250	12409	1	1	1	1	15752	15402	1	1	1	1	24290	26115	22944	21156	23535	25471	44595	43807	1	1	24071	24162	44096	44882	16802	19769	1	1	34098	36173	51168	53895	28211	23846	56049	63719	16437	15031	18566	16602	1	6930	18144	20514	8837	7758	1	13445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7-methyl-4-oxo-octanoic acid	141952	115282	185083	262813	159199	184237	1	141177	178985	1	90783	115742	206523	1	1	92205	182990	101892	32790	136846	1	1	240391	1	249496	111503	89817	1	50833	1	1	33792	1	1	1	1	1	1	1	1	1	1	1	1	55710	1	1	70325	1	143783	1	34182	1	1	78553	61708	69177	19332	1	1	154666	1	128076	1	26717	32172	1	100147	122878	1	1	1	202031	20008	62703	53475	125975	185181	58954	174556	44384	89309	78260	1	200122	183343	68896	130719	196036	174484	132982	1	55572	75799	208242	166898	170688	72127	77290	60294	60908	64062	151329	114121	147697	27711	150025	67901	70899	162482	49786	1	1	161623	32427	187285	130155	54210	68496	103669	54168	133491	60025	25862	50481	58472	84274	51824	81145	29238	50476	21479	50055	63917	80825	74457	134572	94108	64985	45283	83653	68268	92352	57366	57114	22921	68433	24746	53502	65850	92579	34016	118410	77153	88444	69617	39307	80390	14947	24743	62649	50912	36378	39452	156567	140356	282766	255675	54278	151162	67246	56543	258991	155574	142478	101219	170308	98480	48595	25538	191529	99303	39225	148011	58783	86556	33475	116469	168537	163364	317807	174691	163948	84360	34518	53452	85440	85310	107348	149076	155799	111269	81028	120933	13652	122394	109173	169117	160373	151440
Dihydroconiferyl alcohol nullnullnull 6.2478466	267624	264530	121114	89031	144503	87487	71341	86325	109309	92509	173351	130206	222224	232077	350928	287612	892374	195145	209913	202896	170321	207120	111748	88212	61640	103426	104822	114253	61408	138056	154565	178086	200333	255848	122602	160046	220847	234992	125621	186866	293586	233034	164438	183152	139450	152400	290733	203895	75188	58927	246522	207090	273301	252556	71401	26686	269739	234789	122131	124940	232096	230656	105846	72322	146636	145064	67509	73325	158426	147413	122698	87869	261669	275591	172581	172893	148679	175513	310729	298687	523521	347683	295351	295252	267620	246899	85623	86432	125655	122900	113427	112520	224702	222297	212589	174559	225926	227712	267824	239401	280372	264933	191825	184005	285117	226921	111394	100709	398894	388787	227057	198774	139041	262592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
959.807@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29276	31436	39693	35901	31056	27281	37278	39540	38329	35252	35456	34130	31682	27436	63380	63075	66215	63052	42064	18481	16394	17842	20755	25804	26677	29419	32833	34383	26736	22284	28307	26501	33171	30465	35002	40379	35664	32900	45782	43016	68755	64418	44267	41005	67551	57650	59219	62538	54284	55440	58074	64357	65583	65629	90887	62573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Methylsuberic acid nullnullnull 14.044005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19455	18217	14766	27884	33583	29924	55191	36988	16364	24649	27310	27608	23597	17300	22120	35826	23877	94797	38415	24049	14325	39206	1	17729	60709	50694	27583	29560	35830	29944	27624	15283	18293	1	1	20491	1	1	29481	44281	17353	16819	27011	13882	43629	46417	51638	67250	1	46553	22556	13076	18516	21223	20507	32032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.0734@10.39298	33079	31876	29483	27590	36209	33718	24675	26837	26498	28851	25921	29241	31589	33801	34804	31857	57663	37677	31738	30420	38184	35668	26733	25031	36452	35192	31008	34684	22286	24567	37452	41179	38697	40914	29111	31402	29092	26447	32119	37163	27618	29556	30897	30324	31645	31528	29503	28241	32587	36320	12748	12558	40103	38196	32401	34503	30267	30292	10414	10590	12501	11506	8361	9148	12136	12593	8189	1	10403	8703	9127	1	14782	14760	22016	25700	20545	23963	26086	25866	47355	32541	24925	22700	21938	24627	17199	17295	19348	21805	22138	18686	7744	10384	24530	21908	23017	27998	24260	24407	29314	23983	26314	26606	27180	24718	21368	24731	24543	23302	22073	20762	54213	22252	34032	31305	23578	25642	28100	25278	23966	25216	26785	26971	31142	33354	39191	43639	36823	36335	29905	32408	29980	29722	29316	28988	28528	31904	26385	25292	29349	33856	24615	25553	30339	29130	29341	26935	22943	24595	25970	25322	22126	24182	25948	24843	23844	22923	22486	22585	23033	24880	27604	26273	14118	17122	22690	22125	21708	17697	14283	14775	14527	14463	15104	17833	22892	18910	21521	22849	23685	24153	21584	24825	16417	18005	18104	19657	16257	17174	20366	14700	13382	13742	24760	24579	20381	21518	22825	20046	21872	21609	24434	23888	19964	20241	17373	15789	19381	14866
311.8075@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56112	50591	56260	47480	70901	62788	47852	45754	48411	47655	48194	45886	82613	80610	38395	40427	43721	44239	42010	37910	73713	55304	61231	66248	71827	67048	46177	49764	74870	81716	63032	77591	71544	70021	53414	50160	60345	80160	61512	69144	49889	50291	67062	65247	54416	54757	56544	52290	41035	42098	59689	59048	52839	55900	56118	67906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 N2 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	110016	103078	107161	101991	78703	76186	118087	115656	115179	112469	104043	97660	52949	54861	138429	137480	142813	140106	122416	107865	86896	92575	47559	61492	60203	65463	92036	100257	42533	46616	51532	55775	55088	58502	109214	107264	75484	68577	84476	88874	142834	148033	97347	94614	135058	132910	132608	135485	141209	139489	128437	128380	141226	131096	177718	146205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.8004@0.85662943	29594	33260	34052	32053	28731	23207	32879	33215	31666	35790	21533	25715	27710	25346	23941	25246	34085	34592	33164	26241	22770	24194	34933	30589	31970	29288	25670	29113	35547	32881	14475	14984	17803	18372	12980	14815	15119	13427	12997	10566	14892	16722	10862	10543	8765	7108	12260	11777	9415	8188	1	1	10677	10734	13651	13896	18675	16808	35029	26678	28490	26916	40856	43014	26882	26206	29417	25639	24215	23786	43808	40468	15119	17239	15341	26426	22903	33075	31340	29860	33848	36192	31384	34873	25519	18502	37023	41358	32761	30959	38207	33305	17508	13825	29663	30424	32522	30835	27940	22099	31296	29578	27131	25238	21186	25225	18859	17242	22311	18771	23222	23234	23734	28924	9154	13339	9863	7967	10319	10098	10315	11890	9346	12371	9817	8900	6623	9436	7306	7805	6793	10363	7830	11151	11039	8892	10744	8699	13049	7781	14268	9256	9809	9384	9092	9489	9879	8439	11383	8842	10312	10836	6886	9488	8391	6955	9026	7044	11696	13335	10383	10128	6418	10492	5840	6637	5590	5817	7092	5738	8061	8911	8763	7438	5642	7330	7709	8728	5962	5490	7976	6396	5648	6552	9335	8560	10188	10168	5431	7341	9540	10736	10251	10499	7057	6290	8724	9597	7589	5467	8652	9056	8912	8564	7851	8287	9814	9634	8630	7090
568.0023@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17996	17128	18243	16053	42722	42187	13660	12356	13121	11180	1	1	41128	40892	12933	12758	12713	9641	14999	10058	14142	15556	39754	36184	33368	33589	1	1	56322	54157	48566	47886	37611	37436	18535	19541	47200	44911	39018	40237	16291	13864	37564	33682	25816	24577	21693	21770	1	1	20553	22275	19863	20912	26321	25725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
622.2526@0.97999966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7776	7324	8700	6750	17447	18425	1	1	1	1	1	1	42795	42356	1	1	1	1	1	1	8612	9079	26819	24090	21423	22160	1	1	41603	41029	31944	31552	31458	31237	1	1	32900	30691	25626	24859	1	1	18635	18213	9642	8530	9534	9143	1	1	7592	7663	6699	6556	17056	9275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.167@8.4937105	26323	25562	16128	15932	22555	21725	24447	23703	14967	15612	13154	14916	13342	15233	15659	14476	17208	19169	13910	11303	21152	24276	17191	17541	13010	13432	13542	12785	17684	15034	14720	12137	16419	20073	14161	19186	21371	22292	22464	29630	20702	22135	19402	18630	17831	17029	16190	11988	20294	18355	1	1	25168	28444	19373	16560	23715	22825	1	1	16081	17010	8981	9136	1	1	11058	9671	7292	1	1	1	1	1	7986	1	9276	10994	1	1	1	1	20874	16312	10681	10494	30115	28530	23667	25869	1	1	8851	10892	36709	34103	17011	15119	29713	30252	8971	8235	9216	11049	1	1	1	1	21263	19711	1	1	60623	36205	1	1	1	1	1	1	12770	14213	1	1	1	1	1	1	1	1	1	1	1	1	9359	8795	44893	44289	1	1	32615	34699	14389	11948	36775	38970	44725	38585	43268	42653	22645	24782	32722	35261	1	1	1	1	1	1	20859	23151	14451	16991	1	1	1	1	1	1	1	1	1	1	14954	12741	13144	10872	9856	13728	10856	11338	13170	13839	15248	14880	13957	14338	12432	11988	16154	16173	11314	14356	13881	11550	9397	12874	10253	9241	12522	11245	11945	10130	11847	12139	12913	12152	8780	6757
Methanesulfonic acid	163984	167651	123193	132772	114642	117114	219319	225685	201062	204918	123433	125207	181270	180733	187083	191428	224717	203841	185502	178983	134970	141748	224324	225548	153065	159191	216916	220819	219664	238297	133226	122117	125487	121288	104908	107079	109351	108655	87765	98004	92755	96773	68128	61423	119592	119835	104963	99631	82417	102450	73901	76685	137511	134772	79498	65028	115532	109774	109638	105319	105682	105009	407889	409450	90784	87306	118472	123925	229539	222904	588507	620553	101308	99416	93722	98920	105329	98772	115148	128343	232166	228085	205924	219502	234455	235528	719703	702969	499534	489014	183357	206559	39863	68089	522251	504140	271583	291938	130514	123570	539305	535424	87017	87785	118795	121191	270128	257475	79563	86211	123496	119458	117796	99801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.8233@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44898	43803	39993	34437	53535	27398	27780	27135	31178	29875	31268	23819	41370	41222	60315	59509	44036	38398	33556	6492	19804	21022	34101	36185	41817	47154	29875	24668	34640	35757	51738	47585	48450	47712	55749	69484	59469	60684	66536	69071	54526	59336	74703	64348	65169	69535	61795	65986	37836	32127	66334	63372	63301	56203	103662	72364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Kelevan	31895	29279	29318	28099	34246	35630	24817	26640	37126	40719	32754	34780	39917	37188	16383	13276	41151	40201	32445	33751	31560	38995	13455	10475	38008	38658	25653	23198	16561	17845	61661	60871	84003	79138	72837	72735	69899	77124	44324	41768	63189	67875	42092	43085	16371	21580	34015	36839	51270	56193	16386	15496	38940	38566	90397	81768	70540	74611	41530	33125	22019	21408	34141	34145	34192	37303	40517	39556	25007	28836	23177	27074	24042	23128	54627	58474	55128	58461	21948	22632	27553	41293	22496	21215	25398	26149	12512	12320	13406	15183	19813	20461	6300	10669	18388	16562	27138	27583	38824	38623	26421	24971	26008	29142	33579	32322	58154	59005	24417	20691	38923	37973	40534	38818	40797	51553	50599	66615	86561	87457	78386	63667	60972	63040	68164	66091	62410	61878	40183	39760	51679	49183	41722	45998	43196	41107	55212	38401	45342	43101	53379	60575	49270	50616	60057	42300	60162	41324	55188	57059	58656	81804	43461	59840	31112	22890	55537	55835	81310	62928	32222	43934	50357	30455	35561	33226	42378	41242	32163	32812	38678	56533	39080	36421	51030	48242	33056	35145	31389	41487	39705	33766	35235	31841	44472	32218	42848	36829	37994	37079	37215	24305	55577	51805	28882	25856	40110	41795	31297	30552	34752	32974	25056	16503	32400	39442	34564	33453	39804	25779
231.0582@1.038	89611	67509	88017	84925	61176	69725	87428	105245	121811	94055	77884	70777	104836	86904	66193	51828	47608	85226	83795	75892	43763	58193	74981	16522	85203	56712	64440	78742	76034	91479	1	1	6947	7485	17255	9646	1	7846	16611	15311	6322	1	1	10469	10856	6494	12297	23140	1	1	1	1	15636	16618	1	1	10161	12120	124444	119662	23123	14631	126175	127793	123584	122834	122577	125868	22751	22072	134981	133430	101833	93382	16959	17788	11521	113671	27081	26680	71810	65042	71125	73361	42430	39769	163062	157366	134335	43232	40737	41627	7589	20643	54485	48857	76467	74520	17978	16268	72217	67755	25329	23756	36854	34538	29110	31592	46886	37075	34852	30100	45595	40177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
253.0547@1.2045001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28850	28576	1	1	1	1	1	1	17216	17614	1	1	7459	7141	1	1	1	7275	14671	15189	1	8176	1	1	32391	30252	22679	24160	16872	16233	1	1	26893	25656	13610	13362	1	1	23627	23027	1	1	9468	7857	1	1	1	1	1	1	11119	10046	1	1	1	1	1	1	8754	7754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7791	9401	1	1	7930	7019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9552	10447	1	1	1	1	1	1	1	6964	1	1	7764	7823	12689	10979	1	1	7838	7562	12427	11516	1	1	8080	8848	1	1	7030	1	1	1	6815	6907	8616	8745	9373	8868
7E,9E,11-Dodecatrienyl acetate nullnullnull 9.397057	35259	33477	31349	33501	32202	30870	32381	28589	31214	32352	33021	32452	29583	30116	37156	36174	43937	30355	32320	29992	32635	29451	25180	33342	29485	34409	34060	31895	34056	35203	31248	34684	37516	40457	40051	33061	32281	29912	42974	32029	36115	31026	36103	32634	36663	45420	37666	38247	35010	31657	40283	38900	39515	38839	27393	29985	31623	37392	20571	26785	27488	27399	23218	24476	24092	24563	18808	19232	22049	21638	24079	21685	42418	37734	34704	35688	34422	33906	36776	30970	42870	36847	37859	34681	34333	27029	38565	26037	29949	37507	31598	29001	22706	32943	33539	31456	37872	34950	35847	28860	33569	38158	31845	40680	38514	41077	36395	37004	40330	30413	38775	35148	8626443	41860	43762	45686	43671	49378	42298	49576	43005	45702	43021	42321	48037	49376	45995	45467	48199	44376	40716	44131	44888	48841	46627	48574	51154	45771	43116	50513	44308	49318	48524	42488	47181	50539	44724	43574	44828	44356	45329	48230	49771	45752	50658	51881	43823	46109	48765	55558	48115	47642	43325	43304	41775	44245	47979	46157	44593	46341	46321	45187	44396	44623	46599	44033	47892	45278	38670	46067	41240	34386	34497	37416	40659	40503	44121	43017	35908	37237	39088	42119	36391	38801	37965	37986	36646	40931	39261	38599	41163	39578	39997	41564	39569	41281	39688	42286	41936	39780
720.9489@0.8380002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13624	12156	16766	16903	11103	11101	9083	11142	15388	15969	31811	32365	6012	6003	22375	23623	26686	26680	9694	1	1	1	1	8304	8550	10526	31352	35125	5855	8965	9583	13753	13821	14264	14693	21273	14978	14930	22845	22670	22121	21312	26060	26161	19675	20843	26187	27351	48459	48790	24093	24198	23255	26217	31725	25575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0968866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24082	25071	55321	56867	27940	33807	45220	42215	38868	38421	25400	27040	14083	12205	25896	14595	47358	40461	18871	16663	23355	20504	11953	13984	21243	16577	15113	13399	13201	16782	1	1	15596	14429	48885	20004	13196	14524	13590	13494	33877	30709	14370	12303	13360	13988	17687	19069	12492	17618	26432	19109	13321	16094	14339	35045	15271	8673	9605	1	11870	9942	10289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29118	32357	1	1	1	1	1	1	15329	14154	1	1	1	1	1	1	10549	7894	1	1	1	1	1	1	16457	16342	1	1	15813	19928	7575	10128	10148	8853	10987	1	34214	33134	44510	41997	8546	9109	19267	17489	14949	17415	1	1	10695	9922	1	1	37603	37257	69338	70543	12179	9097	42914	46245	18217	20003
C11 H15 N O10	731527	724245	771565	806756	564687	557677	996476	996381	886581	840583	551167	526812	822463	819682	662221	661859	799062	784970	782636	754488	484767	490150	1156621	1129598	686168	720477	709685	712137	1015360	1033039	6637	7103	8362	9176	1	7299	1	1	1	1	12989	10218	1	1	11862	11541	7512	7013	1	1	1	1	1	1	1	1	8272	6577	16790	18022	15378	15459	30692	30654	16986	16339	12081	9780	8275	7507	41304	37996	8877	9130	11440	12091	13467	10929	19264	19155	35594	31499	26192	26021	11101	9946	46892	49804	34595	44338	31604	36125	7552	6733	32927	30580	44258	30441	15329	16442	34213	34040	18703	20727	17620	16742	6189	7004	15634	15412	17813	17007	10972	15253	33866	32001	20632	22899	25246	24635	28267	28973	23064	20469	28666	28921	30021	31170	25748	26759	30729	31302	33865	34221	38028	39322	34299	36241	24380	25978	33752	34610	24705	26765	29635	28805	23127	22986	29235	29236	32466	29847	40012	37941	23108	23759	27769	24807	43841	41816	22749	25448	26784	27806	40523	41972	38176	35248	38842	35130	29132	29032	70006	74317	44521	43053	82456	86442	37943	40985	46427	44510	31280	33451	70688	68769	100475	96579	50585	51455	66487	69978	97750	96106	39339	41144	87852	85796	47741	48159	57799	59407	44933	47399	62596	67017	70133	67929	77341	80751
443.6882@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21553	20809	26627	26939	15268	12783	39361	38391	36640	35182	47460	47255	13193	13776	24926	26880	50245	43148	35660	26184	19090	20035	14020	12292	13627	15500	41413	43427	8028	8080	11023	11938	10090	12416	15344	12623	12793	11382	13918	14743	37224	36668	14726	16557	21722	21073	24049	26820	62030	62000	24014	26444	32583	24826	21963	25224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-oxo-4-pentenoic acid nullnullnull 1.2802615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	133710	122601	93225	101014	301795	286774	203541	187013	111676	106050	82575	77700	218069	206467	86214	78069	115546	115239	255059	421525	556619	554171	575306	481039	512295	697983	287466	290947	392980	645060	436864	433588	254045	266007	59384	97480	320431	349787	380249	367828	191222	172704	404735	408491	116369	139219	133176	134387	147069	162831	136455	206548	123835	116022	212712	179119	136666	142496	51904	62895	157620	160657	102987	87143	94926	93281	151421	133924	75773	78247	93379	89496	65440	72019	204645	188428	325596	307325	81519	88198	82364	103081	56069	58876	79068	75174	86228	64597	81867	79149	102707	97358	67820	65890	140188	140312	138701	122891	51655	53806	128037	146328	73241	64450	91298	90283	124546	120639	95555	100287	126800	130335	86423	88227	165867	181719	94931	102056	145343	152223	98304	89965	123429	102670	96999	97184	171438	180409	177741	172542	104579	107108	271210	263155	155299	163512	100422	100972	132736	153823	94662	91279	132535	142575	74082	84647	136089	141046	188439	194088	168420	171570
325.8972@0.8541728	51813	55689	50978	57248	43714	41066	54147	52107	59512	59432	44199	42969	48847	47244	45753	41047	60412	55925	48078	54563	41262	34814	52324	53758	48823	49991	43724	50122	50048	57208	26924	22977	29574	31957	31312	30450	28844	27681	24290	23374	28168	31194	17626	17992	17128	15647	22838	22777	22038	19751	13110	14337	24078	22763	23855	25594	29523	32808	43059	39939	53663	46510	69844	71919	37328	42185	40905	40469	31535	32555	69197	65149	27332	30553	33649	28374	36695	46386	52518	46702	62587	59061	65994	57448	30534	32031	52730	54255	51918	56548	53963	56353	43377	38796	60985	60097	54977	57533	35453	32898	57809	56322	40232	44851	44212	46650	31237	26619	41041	45335	42553	37148	53028	51066	12207	12426	11970	11278	16949	19988	21431	12636	15939	7511	14931	13867	12409	15915	20033	22317	11388	14258	21621	20145	18194	17295	19770	11881	19618	15914	20006	20067	20481	11951	13254	16400	13341	14943	11574	12989	15228	12894	14528	10528	20314	18589	9025	8094	28021	28767	16574	16896	10893	11840	11536	11380	5936	10130	14904	11657	10783	9658	21369	20851	13638	14079	14964	11135	13202	10943	12100	13565	10671	8564	20753	20265	27970	27500	12705	9447	22213	21574	22982	27303	11553	10996	21416	23293	10797	10322	18912	18972	7565	5519	16480	18207	25867	26055	17113	20541
> limit nullnullnull 0.8359119	17175	19966	16056	14425	27815	28386	12413	13814	17730	16721	25702	27413	21589	22410	20143	21400	16408	15976	19944	18770	30258	31811	11290	10711	20459	20121	19832	20652	11890	11339	74476	73153	72418	76193	83885	77213	77055	81062	71131	67530	77037	76328	81112	82887	80298	76660	74707	70583	89411	91109	80608	77548	73555	72111	96691	91289	78457	79043	19069	19891	21777	19729	1	8181	28792	30235	26884	27004	28897	28033	1	1	46209	46075	56108	52677	31562	8661	1	1	1	1	1	7310	23403	24415	1	1	1	1	1	1	8011	14171	1	8605	7585	10314	48909	50322	12211	10914	31208	30321	32103	31145	55936	59123	29447	31198	35275	37692	49551	31710	43516	41675	47624	43703	38173	35750	34051	39738	48999	49103	41275	39870	38520	43100	38024	37965	41115	42718	37599	36127	40207	39480	43443	42686	40049	37996	30406	37602	41706	43136	46086	47357	43130	42111	46540	51734	42424	39999	46220	43552	29219	31778	46055	48161	27418	27538	39985	36821	41951	45760	49927	45343	53500	52694	42937	44891	70706	69806	31820	32280	51737	49856	54266	52595	56335	52739	46644	46676	60558	61123	34862	33697	25172	24751	51942	51850	33341	33367	30608	30934	57030	56151	30271	30318	55261	56683	36969	34923	73605	72806	37823	40314	30582	30700	34550	36929
149.991@0.8330001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50560	38208	35577	40559	39670	38929	42828	46040	49799	47737	42225	44126	34149	35553	54621	51060	57305	59446	54236	39478	29367	34160	16773	19440	33312	41068	45242	43691	28442	32973	31469	35923	43293	42471	27583	53456	52168	48300	54889	52609	64005	59289	53259	55665	58881	62377	64087	62800	68107	66158	55315	60312	64091	57564	86044	55288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 N O S3	24579	26113	27104	24485	28038	28037	24855	24441	23096	29290	22718	26664	23724	26181	28003	26724	26579	21336	22485	27638	30694	28662	24970	23115	24795	28258	25542	31249	26494	27595	26534	27889	23825	26351	25987	26186	28387	25403	24682	24229	26110	26648	32990	32923	40458	43148	34256	34466	45046	46157	32309	32341	29664	29678	36884	39319	22677	19994	20133	22433	15102	15594	17337	16701	16271	13424	15396	15962	16079	15934	38099	52006	31834	27695	17214	19069	15302	1	8182	16853	31554	26030	19599	10028	16224	12758	44114	43766	21644	25039	24203	23142	14710	18936	29454	34353	25159	25077	21211	20358	21597	20817	22632	21314	20158	21301	20797	22643	23948	24983	15981	19621	27657	20768	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
799.8183@0.8414721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47666	43753	59454	56353	43797	36588	56054	53874	58090	52042	47133	38275	27123	25986	50964	50072	47841	57446	47188	33132	27383	32411	24050	22170	33805	39090	36074	39295	24420	23154	36416	39126	30806	42553	55958	54895	44509	43176	52462	39954	57145	65541	54573	57046	63908	60994	55875	64447	51647	48679	60311	58312	58708	59658	76666	64671	35320	35119	28503	34006	35935	36105	38699	39711	30391	32340	32370	34575	32608	36859	34913	37024	38736	36700	37462	34398	30321	36123	36094	33292	37505	36972	37709	34921	35749	34445	34131	35826	33814	33920	36396	34652	35585	35228	32766	34110	32209	31762	31485	32983	41328	37661	31377	33419	27844	30032	29634	29214	30709	31183	28857	29879	30526	32722	38314	39834	33771	32009	40685	38045	34429	32193	32296	33215	28042	28286	38926	37603	36071	35553	34111	30228	37259	36327	40775	42344	28240	32891	37424	34082	32018	30862	37144	39301	34879	30825	32945	32763	37725	37836	38606	38376
420.8076@0.87854373	21643	24614	25352	23131	24666	22748	23285	21779	25459	31853	23719	22743	25704	25028	13454	16119	24106	24699	24388	20179	21841	18489	18323	17254	25410	26358	24269	21803	18831	14743	27071	23984	34819	34400	29536	31340	28720	29263	26257	25118	30242	32594	23937	24250	17034	18025	25372	20282	17944	18295	10997	11163	24184	22734	25146	22941	41891	42828	30402	33222	37966	35940	29012	30033	39919	41499	42353	42897	33487	35733	19745	18537	21448	19836	41618	38395	40005	38369	35893	32815	20161	17318	25669	24455	29395	34855	14002	13410	17124	19977	16850	21259	16652	13934	16573	19043	25603	20923	39383	34832	27360	27184	32937	33384	35960	37551	41437	37024	28776	33806	39548	36315	38648	37795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.0169@0.90900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21196	23475	18539	15448	31957	29951	16514	20643	16770	14363	14187	19987	29095	33307	14827	17021	22114	21569	17295	12799	26214	31460	38101	36561	31446	24233	30597	16409	35450	36055	34841	33801	31103	35295	18565	23768	41582	33411	33767	34266	20823	19937	37618	29944	21105	28879	37751	23043	18344	16491	35027	27983	30200	21738	44018	44844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H10 N2 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51460	62125	60440	57965	136856	145065	43509	46476	34754	43211	40500	31511	45459	78533	39180	39211	48635	52149	48555	45613	73569	72038	78917	75543	69712	72947	30257	36949	124926	125495	91693	76009	108702	103790	38735	47043	78658	100674	83202	94983	60259	59874	40516	66885	60168	62380	52679	60738	39893	42974	46012	45211	53041	60066	55452	55634	55535	54086	66659	63538	66451	67706	71150	65368	37830	44594	73314	71091	62770	69740	71252	69649	64399	67610	78458	77459	66030	63889	66179	67082	72374	78022	91716	89368	64029	73897	51797	53336	67168	62707	47924	43711	72468	78466	49003	48401	72720	73700	43863	33992	140165	132028	75497	78199	46061	40377	27147	31619	37938	34116	29203	32101	35698	38148	53643	55272	37515	39382	31580	36350	34849	29490	37016	37017	37033	36345	61907	58077	84603	82255	42818	37751	58512	54005	75425	79627	36259	29918	64422	67725	39846	36265	53815	57860	27135	28756	48522	49128	69606	69410	52280	54454
2-Hydroxy-5-carboxymethylmuconate semialdehyde	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29841	30683	24705	22943	59669	58384	37632	37496	31343	31616	23509	21198	32742	34680	23289	20600	21307	22765	25426	26267	27224	26377	30488	36034	39033	38259	24111	26848	53394	58448	40740	46150	34277	30015	16004	17257	51130	52143	36901	36391	30958	28113	64085	62370	25053	27529	24645	22063	26265	25607	23717	22950	19980	19599	26863	30004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
828.2744@1.125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37046	35246	1	1	13912	14857	1	1	1	1	1	1	14109	16190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50116	53612	33866	38369	1	1	1	1	16619	15696	14498	17394	13124	13118	34563	31309	1	1	1	1	1	1	19241	17976	11167	10765	8955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.0681@8.154388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21171	21740	1	1	10556	8915	45596	37406	1	1	1	1	1	1	1	1	1	1	1	1	34419	32233	1	1	1	1	19748	19991	1	1	1	1	51242	45543	1	1	28595	1	13215	12162	1	1	1	1	49128	46775	1	1	81982	82180	1	1	1	1	1	1	12453	10482	1	1	1	1	34431	35113	1	1	1	1	1	1	1	1	1	1	34282	33327	22256	20482	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17191	18021	1	1	32076	31233	1	10272	48864	45667	56873	58990	1	1	10407	9788	1	1	1	1	66506	68909	1	1	1	1	14703	14635	1	1	1	1	91125	87530	7863	9633
477.7752@0.8720004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24546	24638	27665	20544	45511	43448	31563	23100	28316	27226	18893	17436	41387	40724	12250	11672	28259	22312	26818	25654	35501	27443	48490	45535	44686	39860	18594	22145	39913	45613	42459	43109	40693	46844	22032	19593	43543	40276	42321	36762	20052	20758	39968	35348	23673	27859	33253	25227	20144	23154	19394	24111	24001	26658	31601	29241	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 O14 S	35589	34247	37161	40931	32301	32416	38734	37677	40280	38531	30367	31742	38185	31171	34910	36214	38676	37914	35032	35945	28033	28149	40693	41106	38812	40311	40220	36388	44768	44123	15998	14674	15149	16343	13465	14756	13335	14792	18131	16062	16133	14987	15065	14334	12846	11105	14742	18619	10539	11073	16087	13321	19704	18344	12168	11753	20016	25322	30387	27572	23132	23526	34266	34485	18552	19168	20795	21479	25288	21980	35745	34401	34984	30811	26607	24989	22195	15112	15364	15143	23837	26326	26004	28029	17790	18905	33383	35367	31363	36559	37322	37966	22197	48909	46828	46633	44532	49729	31561	32796	45572	42682	40520	36155	40390	37999	22603	22422	35905	38706	36909	32820	56881	41920	16096	15500	15942	15247	18824	17330	17019	16355	14914	13126	17211	17481	19121	13662	13988	16552	14925	17986	17009	18642	15436	16443	20507	16739	21302	17141	19386	17411	18107	14334	16725	14090	16957	15856	12713	14695	15608	20393	15019	15422	21765	18776	11321	11424	26326	23329	20041	16032	13729	10894	20223	18399	21318	20103	18218	20285	14834	13155	30066	26712	22021	20177	17956	19826	19936	20276	23468	24856	15889	16429	35174	29995	41120	34367	23516	23689	34182	35846	35798	36509	20185	18915	31712	36040	19526	19451	31596	29775	14647	14374	28255	30435	37201	42051	29821	30453
C6 H7 Cl3 N O3 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44103	39241	34130	45712	44445	39613	43201	38790	43054	37835	37573	37016	49256	43232	23201	23710	33835	38102	43512	39978	37290	44837	34698	36610	42734	31917	30541	33115	36508	40898	31627	33134	36381	33982	20826	19724	34087	36543	32533	40095	28387	34831	33106	33623	32281	35656	34669	37201	30620	42051	31389	28554	31660	35359	34837	37717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.955@0.8709995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	400424	383157	288785	303255	264368	262599	415117	417863	433003	437868	350584	353646	219057	200413	356110	340576	453286	438025	396387	310470	147088	172346	102075	112684	166499	173119	258494	275297	218306	217023	196995	205826	218107	217144	256005	249648	252848	246927	232963	233613	374100	363051	244453	248992	300390	307064	314908	315198	437271	425354	258794	264260	346651	342743	342001	348702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ioxynil octanoate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29811	28677	20161	23518	41840	35926	14023	18783	20765	22024	31275	28867	59753	55586	17429	14224	25305	21670	19659	18370	17576	21766	40344	45536	41219	36951	26748	26767	71182	68665	57974	58361	56658	55471	16128	21139	59110	59279	54613	52097	19219	13498	37475	37261	21491	21584	24771	26963	24086	23874	19885	22976	27220	22519	22914	26346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 8.072828	40746	43760	15085	17165	1	1	28170	26281	45984	44034	21851	21540	30889	30209	33563	33774	23881	25411	29009	29117	28400	28829	30303	32454	21720	22720	64216	65454	38657	40082	61226	61237	51082	50181	70766	68981	69191	67094	70991	69038	72811	69780	48296	46733	76225	73015	63321	64338	32804	30531	17594	19434	72536	69673	14932	14314	41269	36882	14525	16697	18735	18828	16360	16896	25914	26032	9703	10736	1	1	30495	29891	34579	33516	12446	11100	37037	36176	32721	34277	9890	9417	10907	10866	1	1	24521	24510	30181	30947	12567	12225	1	9429	28381	26458	26508	26857	32342	32699	50256	45101	33775	34266	15287	15007	1	1	22405	24347	22020	22549	14623	20796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19699	19059	12689	11565	1	1	1	1	15203	14386	1	1	1	1	20243	21297	18073	17045	9923	1	1	1	28734	29231	14762	17345	1	1	18235	18046	1	1	1	1	15636	14046	11551	11690	14430	14379	1	1	10618	10189	1	1	10967	11010	1	1	1	1	9796	10702	8440	8314	1	1	12289	13112	7081	1
497.7844@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43900	43931	37995	40127	52573	57065	43879	45734	47316	45098	37894	35640	89283	95620	15132	21032	41832	35368	41330	51989	52699	55273	61030	54282	57760	56749	39541	35799	89020	81789	61458	63155	68764	64610	24581	22436	66327	66650	55006	51512	33965	38941	51433	46850	32805	35267	33375	43614	38103	36744	34403	35123	33150	40291	37689	41539	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glu Ser	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17753	101798	47653	100537	126682	225644	35073	36578	65875	57023	24366	36532	126155	123457	18992	73349	61118	49078	19756	19599	25897	61760	49889	46466	48953	67156	35887	48562	177562	151579	188393	146377	42272	58237	1	39550	73548	77601	94108	24282	1	20745	62726	63512	27307	37655	14079	13083	34987	29250	1	12135	22113	35252	72831	19929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6E-Octene-2,4-diynoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20705	25967	1	1	14587	18925	1	1	14249	1	1	1	24031	28621	41031	41938	37158	39437	46490	51131	29237	32454	29336	34745	27219	30931	1	1	1	1	1	1	1	14170	1	1	21265	20288	28763	28755	18002	26164	22377	19223	19685	24008	25268	27031	53031	49697	29661	33089	38154	27106	21288	21558	18917	29242	21193	18272	16737	1	1	1	1	1	1	1	1	1	1	1	22706	19616	22630	16113	14407	14877	1	1	1	1	1	1	29244	1	1	1	1	1	14180	1	13683	13895	15431	18625	1	1	17343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26377	25674	1	1	1	1	1	1	15346	18090	32271	25524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
274.1587@9.160669	45229	33590	27920	16087	12856	12570	11017	13437	19972	16268	17829	16207	41915	32617	51361	31060	139479	41802	34772	24462	16263	18950	16531	19390	9403	16076	13613	179115	14820	12841	133177	141155	86578	13382	142824	145599	125528	104566	185225	176788	185268	198438	67517	78948	324061	304123	143955	148882	61898	65697	17783	17693	200817	197184	20286	19635	7185	58484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8719	15785	13389	59233	24934	20080	15478	8838	7859	14531	9366	1	1	1	1	1	1	20166	21910	15813	16086	10246	12711	24286	14289	8852	9187	17074	10691	1	1	18352	30235	8877	9159	38152	20793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N2 O5 S2	606419	595578	473705	476782	952746	941099	444034	477495	774223	725648	1049336	1045126	724834	707294	494598	501775	574397	602109	654567	649693	1073523	1080679	335392	330255	903862	871109	796549	787999	408804	412130	2095452	2079389	1895436	1919446	2327187	2326520	2234550	2180511	1799296	1800249	2104086	2088103	2187793	2228396	1242113	1212916	1542214	1517531	2461847	2492664	2985149	3010912	1827072	1829416	2938439	2931928	1848496	1850218	869890	867530	671231	654375	357182	352711	1080803	1102334	1074903	1055900	962026	964961	197298	194333	1014044	996073	1165096	1148957	961905	738401	357448	369128	82138	83384	203103	214952	727327	746850	137176	133876	148440	155403	173103	174123	351195	409624	173357	174421	212251	216309	821291	793921	232502	226749	528061	486404	499795	457507	1135391	1134784	403554	401620	653188	633874	484075	512334	1650215	1662011	1795530	1808203	1451033	1470831	1581991	1571212	2261229	2228115	1676795	1687547	1559952	1567618	1321061	1292342	1641069	1640605	1262490	1257964	1356725	1349878	1541245	1569133	1379078	1373443	1599052	1609736	1558373	1512502	1826795	1782300	1788816	1723688	2034716	2043116	1658172	1602008	1845958	1852171	1075327	1057526	1958848	1963234	1063072	1074113	1257213	1229839	1595007	1625561	1176913	1115112	2234168	2226684	2199047	2249025	3188363	3173083	1455775	1526206	2592042	2616652	1902140	1926510	2574892	2511008	2254326	2225190	2764079	2724356	1655177	1642728	1117670	1146167	2652442	2645956	1466762	1452028	1483438	1446952	2408396	2398237	1562900	1561694	2474389	2500155	1826631	1824142	1861745	1889932	1842913	1820768	1296124	1316865	1494007	1502853
10-hydroxy-2E,8Z-Decadiene-4,6-diynoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14152	12542	18620	21937	14800	12585	16465	16177	16403	13984	21251	22039	14846	14465	10116	1	13169	1	1	1	1	1	26741	18266	1	1	32783	31093	1	1	1	11065	1	1	1	1	1	1	1	1	1	1	9442	11313	20402	18558	15903	17085	23101	24917	16229	8762	13742	25383	20688	15993	1	1	1	11162	1	1	11598	1	13489	16210	27656	23178	25997	30123	13482	15292	16821	14274	19058	19730	16644	12865	25385	23689	15723	18632	23359	16605	8811	15667	9690	9864	15982	16764	22535	17890	1	1	15802	18311	14727	14655	19406	17759	15647	14432	16010	14177	18990	11485	7207	1	22039	24894	24343	26717	25660	22277	11072	11195	17206	22616	14734	14992	18349	19141	10615	1	20527	18648	21318	17611	21630	23379	13281	16419	15032	1	1	1	1	1	1	1	1	1	17354	19128	1	1	10575	11035	1	1	11869	11086	1	1	14592	15781	13865	1	1	1	1	1	16726	17533	12216	11828	18710	15982	1	1	13423	12382	1	1	9448	11005	1	1	22747	21159
352.1884@9.916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15900	15314	46485	32784	39780	35670	10518	1	1	1	13721	17400	13652	1	1	1	23607	19242	41788	34980	1	1	30373	24407	11193	1	18137	12705	1	1	24901	21683	1	1	16151	13728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H2 N2 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23149	25437	32219	32160	19623	27498	27859	25647	26656	31084	29808	30907	27841	28827	24793	24830	28937	26871	29794	27232	26669	28262	28027	25832	27268	23000	31898	31594	22509	20751	27413	27098	24294	28184	28833	26504	26202	25326	30052	29996	22521	27940	24637	22989	28967	33363	29556	34170	25660	25339	29436	29024	28254	30939	38598	29302	20771	11626	18464	26946	11806	21437	16440	25863	23116	26891	22841	15797	20281	30495	30329	27978	19989	15604	24908	31605	25070	26514	24384	28474	22391	23140	25812	27825	29600	31379	23528	29194	31631	26083	20255	19398	23978	21818	32626	26554	22425	23090	25128	33141	14349	17925	27071	27854	28808	35436	29405	28982	32055	26579	27884	29181	28385	25369	27663	34300	28269	22142	38272	39243	34020	34006	34591	27514	28082	23422	39769	35514	35939	28726	31406	30557	41361	38702	25404	33216	35511	23073	28210	30551	32079	33166	36365	35268	38402	40014	36265	33042	39055	40845	37346	34352
781.8384@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22756	23988	21045	17291	9959	14983	28710	27666	29508	28529	24543	23971	1	12746	43336	44358	43541	51214	31286	9791	8279	8227	6995	7167	10984	12710	22368	21593	10942	7787	8276	11829	10848	8907	14346	17821	13699	10035	16181	12971	53959	51418	17603	16542	37631	37419	37913	32851	52896	53937	34107	32695	41823	41538	47884	37613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
666.8351@0.8538241	6442	6982	7293	8886	6696	6977	7481	1	7108	7517	7475	5924	1	7777	6249	7788	7094	7344	10184	1	1	6987	1	7288	7112	7404	6336	7994	7154	1	7518	1	1	7540	1	8262	6469	5835	8177	1	6375	6999	7750	7126	9103	7290	7528	7681	6030	6776	1	5716	9604	7223	6912	6388	7499	7856	50159	52303	51155	52508	58757	64145	42171	37926	39998	48627	42326	37282	52824	60023	28307	34337	46977	37331	44023	33151	40401	40192	39029	45689	52747	57687	32557	38613	49100	47978	51288	47570	57706	60793	30365	36848	53999	61462	58869	57965	43553	38215	54669	55786	51488	51945	53388	57285	30866	25381	49334	48106	46914	51081	58955	57698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Terbufos	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55864	51648	37873	40114	49656	44786	53947	54642	58109	55561	42268	42668	39385	41264	34984	34662	61669	64771	70735	68543	38469	40916	13908	10918	34598	35520	36783	36985	28565	24189	25406	26603	33583	29697	21930	21383	42589	41058	46176	50325	48686	45791	44642	42675	38195	41248	45297	50778	71568	68587	27549	27674	48655	44801	66972	64479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.7408@0.8660343	52866	50025	57566	56742	65012	65271	50470	43959	58829	57520	63291	66405	71151	64551	52473	52540	57809	55534	55199	61259	62418	62166	42556	51559	60692	59786	57654	60827	51686	46781	91541	97965	98956	104049	105440	98956	101307	104251	98431	97475	98740	96735	88675	90310	89324	90426	99247	95854	84823	85771	46745	49096	90189	86771	86745	87929	110575	110888	32300	27875	32189	30765	25305	21112	44028	44218	39758	43729	41184	40977	16952	21231	20331	20385	38058	38060	40429	51474	40145	36986	22488	18164	16643	20744	44337	35811	14611	12848	16617	9095	12758	15199	13930	11625	14295	11653	8902	16055	36816	32761	18491	14594	27550	19038	24973	25220	45346	44819	21766	24513	27672	22960	21574	25875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H9 N7 O2 nullnullnull 1.4134965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17438	15566	10342	1	45028	40786	11918	11174	1	1	11116	10852	30474	35867	14166	11895	27159	25624	14612	14604	40452	53909	58203	55433	36876	40630	1	14705	73347	84054	72937	71105	62918	58395	16424	21758	102385	103800	59558	61371	42093	42170	82481	84003	32805	34909	53425	48444	18637	17503	33079	38297	40950	39032	59019	65330	10486	11533	14431	16000	13422	15395	53379	54422	12657	12086	14096	13934	26522	22181	11382	1	16130	16240	15353	15680	16325	17262	17522	18220	44085	45365	14578	16081	45821	44177	13438	11509	17246	16651	17681	14361	11111	1	15498	16088	12797	15341	1	1	16041	16056	12527	1	22630	22965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0288@1.2089998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17952	11215	31690	39378	75082	66209	24131	16481	21685	14891	15328	16561	38828	41884	31166	34423	18009	27062	22691	15124	24748	25232	48194	48840	51246	43797	15538	29361	7239	48285	55853	49237	33509	38169	39740	33632	49647	59935	38355	43809	29658	17516	60624	68766	31337	22353	26320	44615	17213	24849	41305	26112	23706	33469	58617	58652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.8868@0.85100013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12581	15206	18782	12677	8680	8474	9972	10008	8288	9088	23238	18663	1	1	1	8451	10913	9083	11184	1	17051	16331	1	13665	9835	1	30444	27316	24160	26221	23804	19419	12187	7168	17972	23985	17839	15536	1	1	15396	1	9802	1	8048	7865	1	8933	7719	8057	9954	7329	8139	13457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H N3 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135433	131873	126243	125684	146744	146841	136438	139822	137386	137730	126565	125094	141802	149816	110840	102199	150189	142802	142697	146815	126289	130664	93640	92150	121366	128388	119386	119414	114847	110100	114431	118496	128261	132791	91529	104091	148766	155488	154494	162558	141946	143978	144736	148247	147208	146839	158840	152806	150076	148170	122199	135165	149284	147922	196562	181139	10595	13209	13992	13748	12210	12571	16315	17023	6758	7674	17471	16283	13091	14618	15595	15521	14288	12412	17125	19710	15481	15649	15797	16660	17109	16851	18927	18048	19121	15412	11871	12161	9931	10873	9067	7872	17248	15403	10483	9771	12760	13550	8614	8837	15574	15005	19062	17732	11718	10375	10337	9573	10473	7869	13292	10833	1	1	10006	10417	18713	18147	21968	20686	8920	12590	18884	18544	8011	1	26790	24592	15136	16652	11142	11233	30268	39293	10725	17840	8253	11426	13222	12639	11802	10357	31881	35548	8934	10945	28183	24552	34069	43887	15514	14560
2(?-D-Mannosyl)-D-glycerate	29410	35823	27154	26042	26127	27657	26841	29604	41196	35408	27531	31257	31415	29954	37637	39896	36259	34847	35690	31399	29934	31922	29858	31660	33148	32344	41419	42280	35306	38374	24720	27806	24789	26253	193192	183829	26302	24806	21374	21974	26659	24398	17397	18378	15753	16170	17684	20440	36652	45188	9285	11798	29081	29821	23632	21749	26187	26129	26299	23013	25062	22222	48727	50859	22063	24822	25916	27563	25631	23778	36133	35466	26105	25373	31422	24354	30580	27986	24130	20946	33178	29994	40301	41261	20501	23363	37548	42336	32396	35761	34373	32734	12544	16486	48642	48325	35917	42966	26178	29494	68668	77048	23455	27699	26781	26382	24159	27233	20903	25630	12442	28188	37855	31246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
489.7559@0.86110556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31052	32527	27413	26289	22485	24674	33061	25536	35026	35516	31040	29121	25913	22449	16322	13089	29019	24336	29885	45379	34567	36277	20588	19622	34820	28999	24443	23316	18371	17562	19803	19692	16095	13927	16449	14102	18328	20753	19200	23385	31487	24939	19448	20648	23911	26470	25938	25750	26602	31185	27516	25927	21265	26713	28747	29976	20116	18839	21419	16618	14910	14094	17616	19757	18458	18116	23460	19089	20616	21502	22666	18789	19557	22185	21195	20893	20850	22507	24058	25862	21689	23026	18480	20541	21083	20906	22739	20618	19590	19220	22325	17974	21819	23732	21317	21957	13060	12372	20051	21652	14517	18485	22510	22493	22367	22410	8536	9774	9112	8623	7454	6960	13275	10688	7683	10339	9725	10692	14342	15170	10340	10836	12079	9779	10348	9570	9883	11165	10822	10805	9935	8418	11052	9670	10289	14359	9839	8546	8098	11865	9417	13025	10112	11573	14992	13538	10506	9910	10968	12693	8897	11896
397.11@8.3359995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8822	15081	17067	1	1	1	1	7743	10006	9398	9677	32432	29495	12619	14186	1	1	1	1	9304	8050	21076	24789	50273	54710	1	1	40313	38332	28002	26312	37363	37693	1	7999	31580	31191	42544	43230	1	1	34797	38133	10521	11359	19167	20245	9697	8121	31224	32770	35269	36000	10153	18625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0946@4.5295725	7129	133618	29987	19638	18535	1	20465	19247	25112	21953	23925	14027	26487	6738	41236	49089	15448	26315	21366	18510	22607	15573	21086	20690	1	1	1	19365	1	1	1	1	1	12642	1	1	1	1	35714	1	8452	18065	1	1	40770	1	16661	20904	1	1	1	1	20411	19789	1	1	17088	16471	1	1	16568	17440	1	1	1	1	1	1	1	1	16799	11894	12405	1	1	1	9176	1	30152	8195	11516	13296	5250	15518	23216	6145	20929	20423	8162	6501	18075	11676	16698	15698	36847	8931	11987	14018	19292	26076	9122	43240	18374	20303	7738	7532	1	1	16613	14113	19436	19468	10752	7175	35558	13661	1	1	14050	16457	1	14689	1	1	1	1	1	1	1	1	1	1	12465	1	11630	15257	14719	14261	1	1	1	1	1	1	31878	1	1	1	1	1	14477	1	1	1	25557	32551	1	1	37299	12043	1	33055	1	19709	1	1	1	1	1	1	1	1	17229	20891	1	1	54575	31945	1	1	1	1	1	1	25730	6809	28777	32754	16289	11810	12830	13923	14018	1	10649	13079	19261	14845	1	1	17540	14799	1	1	1	1	1	1	20518	15395
581.8089@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103736	106690	109396	105993	140654	148236	93125	85393	101887	97462	80643	84393	155472	157512	66415	65674	85533	85279	91001	96666	83539	86395	107433	113597	113909	133712	74977	77626	131102	125173	125623	127335	140173	142462	90191	86867	153427	145991	146242	150110	92235	90095	122379	131512	106965	109917	99214	97922	84453	77704	93385	96874	91720	91119	108147	116009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H2 N3 S	35753	40474	43164	40934	44069	40221	37006	34251	35702	40037	41026	43656	40862	38836	36832	37278	49144	35815	39987	35264	40811	41774	35096	37809	42939	50793	41694	39509	46015	40738	51991	56428	53161	57021	60747	56757	61732	46079	46508	52587	53893	54847	60610	63761	51332	55587	54917	57156	67012	72067	58920	65961	62146	64517	70826	69860	68269	67907	44976	34574	38864	35309	35373	32191	39421	32263	45049	43644	38750	40879	28000	31050	52169	46769	52490	53243	48913	37318	27063	32425	16744	23281	31251	37048	42288	40841	24440	28769	30105	32557	39646	36992	25374	49320	47151	43725	51170	47406	53712	50725	46702	52120	52126	56170	58731	67577	62201	55596	49455	56338	57184	52946	78925	55960	54841	51650	56280	56878	50603	53591	62599	56649	55206	46549	46778	48013	51692	50759	40036	43995	59542	55856	51578	47430	51173	60472	56231	60602	86911	53310	57502	60849	51244	54499	53946	61580	58817	60908	60217	61867	84871	56793	47569	59212	59583	42935	59520	63182	54637	52742	53975	56770	57172	51835	46876	47327	47224	48036	40957	42355	55887	50438	51085	46938	52952	51963	45703	53276	51429	54417	54087	49893	46187	51912	51169	49538	53513	48587	48509	44671	50379	46855	55917	69407	57664	53599	51424	51851	52194	48066	45772	53975	68726	60767	63189	61406	41042	68486	49275	52047
1092.7484@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25637	23491	28900	26548	16763	16328	33182	29026	31845	30309	31055	28383	15785	12173	39051	38988	39587	50293	34416	18468	12018	12054	10363	13884	17451	21261	27975	29353	17302	19174	21064	21831	21967	15842	30569	33986	20415	19500	28357	29719	49186	42624	38255	35072	45254	45703	37761	39961	45370	39344	40297	38197	39196	46244	54862	45925	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
293.8992@0.8802636	173712	185006	165577	153330	260927	234275	162032	166025	218453	211493	228286	231815	202503	218179	132187	128537	204134	208331	193090	184171	235275	243920	105301	110280	235178	238421	202460	209305	135590	142258	337742	343984	385835	388950	397358	385196	397188	379449	268792	276357	382325	376232	280735	303096	180602	174431	233686	244905	336343	340712	177824	197473	280085	262237	463779	470528	383316	401513	217384	215479	148047	142242	119736	123195	214864	221514	222668	239655	169284	165455	83076	79048	221510	210528	290245	281346	255345	189614	104090	103192	23931	23297	84192	82096	146851	152842	47646	43922	53715	52963	66666	71708	83187	92907	71380	77291	96849	99112	227895	231803	108576	103925	183255	190994	188323	188362	284353	292181	144921	154003	219844	213715	1	219519	254461	253698	291784	287612	282542	290034	292479	298648	302091	300073	277589	272909	260076	253862	200184	199630	290101	286706	202947	205241	216877	217833	299174	296995	225227	226904	308050	304235	241656	247527	343526	332050	282032	270701	328178	325633	315087	311796	289781	294060	169950	178947	278803	283747	257745	268024	221639	216797	243714	234737	140682	139361	221528	220983	200832	206834	291178	286364	194099	191141	278331	280621	191878	185635	226616	229813	255150	242126	239112	245925	199852	203327	190033	189711	280214	281513	173290	167427	256859	257983	225889	215157	225463	221809	222302	225480	218060	213261	154234	153221	225408	221184	157271	158430	175376	176825
102.0121@1.2570002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29943	23129	32794	34994	18493	15186	33051	29525	36957	31099	28008	27546	80945	84618	32174	25028	35925	26964	28101	27824	37320	31326	44865	30481	34307	30268	28568	25842	66544	144141	51840	63241	72015	79297	37131	42643	57649	49486	87748	75762	38180	34699	28787	21449	32154	41256	57860	47753	34353	32969	42972	38553	34131	37223	38943	46420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 9.39619	9946	8517	10718	10549	10347	9190	10514	11950	8960	11797	9539	10337	9072	8698	9146	9783	8285	8863	10606	9940	11385	13141	9467	11241	13482	12939	12711	12112	10684	12629	13101	14524	13267	12351	12926	13401	12790	11679	14184	12770	9681	12922	11609	12151	11700	11434	11140	11438	11394	10419	12399	12972	11490	11812	10775	11679	12591	11671	1	1	9096	1	1	1	1	1	1	1	1	1	1	1	10337	12725	10437	10805	9325	10007	11198	9730	1	9865	9116	9279	9106	10335	9958	9370	9143	9763	10879	9635	1	8131	8389	9446	9543	11284	9682	9843	9008	10439	10396	9398	7948	12056	10573	12131	9627	8791	12048	10655	48782	9857	7203	7981	8060	7523	7948	8744	8104	8442	1	1	1	1	1	1	8793	9397	1	1	8044	9103	1	9310	8846	9731	8526	9635	8797	8691	8491	8876	1	1	8527	1	8830	1	1	1	9195	8289	7107	8241	1	8181	1	8474	1	8228	8765	8521	8142	9052	8225	8597	8475	9180	1	8611	9159	9138	9314	10098	9364	1	8657	7889	7844	8143	7981	7268	7860	1	7780	7621	7506	8039	8029	8403	7930	8956	8607	7328	8955	7896	7925	8617	7930	8508	7483	7937	8118	1	6820	8897	8586	9100
C7 H8 Cl2 N2 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38853	27719	31312	32415	39850	29988	26120	29807	32945	29621	25937	27329	51244	50636	18824	13259	23427	20699	26801	34640	28981	35101	34164	35866	33280	33301	25130	25386	40870	46995	41154	40126	41201	36002	23572	23988	45480	44892	41271	36336	25924	19827	39457	32660	30532	27350	31549	25936	17492	21990	26332	23809	24357	25151	30123	27842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H12 N7 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22550	21065	18161	19841	45134	45633	33975	30841	24104	22214	14601	15253	30745	27312	13326	13030	20052	18601	19348	18839	26067	25572	32868	30138	36413	36970	17165	20747	44316	43348	36522	38709	24740	22477	11670	14305	41456	40428	35926	35029	23813	24096	47387	44374	18732	19503	20385	17300	19191	19332	16972	16736	13346	13162	18982	21477	1	6601	8660	8275	7873	7733	8601	9514	1	1	7215	7116	9345	9121	10063	8315	7340	7040	6947	7790	1	1	1	1	7497	1	6926	6590	1	1	1	1	8713	8367	11088	12489	9118	9296	10758	10041	8718	9099	8318	7670	11194	11780	9269	9079	9713	11367	9130	10342	7278	6808	6222	1	1	1	20377	20424	8776	8504	12735	11744	1	1	10258	12658	1	1	16961	19391	15414	17631	10354	9095	30721	31169	17738	19336	7948	6005	16101	15649	6285	6917	16709	17191	1	1	16122	16596	22354	22945	17027	17163
C8 H19 Cl3 N6 O S5	23275	22885	20622	20253	26511	21892	16853	21488	25153	25330	26192	22633	23592	23401	14796	16185	28081	24096	23466	22839	22140	21363	14387	16668	22697	28201	21025	18101	19448	18090	35721	33904	44192	39816	37086	40560	37925	40460	31085	34842	35529	35481	33371	33741	23276	23936	26741	26566	29435	30462	18211	17381	29361	26397	38320	40665	38582	43037	19203	21289	17478	19243	20529	12618	22392	19873	21594	27418	19877	16860	12881	11627	18681	16854	30400	29102	30984	24490	13984	13659	11211	10115	15279	10663	19835	20232	10424	1	12696	11881	13692	13350	14579	11949	15535	12735	18680	15182	26892	27692	18563	18934	19985	19246	23227	23559	30619	31513	18305	17887	26905	21007	38352	24676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 1.36421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70976	68161	160410	223055	63306	65849	116717	150398	241041	237739	98627	82458	21284	20184	490869	806737	230239	1	138497	1	1	1	1	150847	42311	51586	1	73775	1	1	60390	25498	1	1	562789	228225	1	1	64876	1	1	137104	81269	1	142846	137611	155638	348805	179330	148823	225168	149138	149401	291462	322561	274268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51498	1	1	1	1	1	1	1	1	27761	1	1	1	49626	1	1	1	1	1	1	1	135419	125038	138118	61606	141275	139405	150081	145491	1	123188	144660	139748	1	139459	220095	114904	159689	142331	142129	160276	1	1	118781	104236	71710	155503	1	141786	141760	1	171752	157962	175153	157325	167815	127487	136677	1	226073	186130	139077	199939	71784	1	169077	1
213.9881@1.1310004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7612	1	1	9297	17002	18491	27254	29324	1	1	6862	7237	14567	13692	1	1	10418	1	31484	32612	35570	36577	23264	23551	38867	45804	39669	40088	14029	13887	18375	20126	25875	23865	1	8830	19446	19035	53712	55158	39294	41287	63774	62287	23870	25092	17568	17489	12129	8862	1	9704	1	1	10844	9028	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
659.7021@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51688	54765	52468	52346	44906	56052	66274	60085	59203	62559	50974	52412	42546	40204	31308	29696	52287	51648	62550	66425	71186	61729	44618	47398	49055	51790	49618	47062	31277	31807	36186	37530	30828	33385	31069	30042	31378	36737	42016	37514	51206	50026	41618	45795	49579	49113	56438	50862	54564	48579	49531	49868	57576	50494	61615	63583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
345.8805@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	156864	151241	153578	161649	183502	195143	150426	141717	153759	158016	126720	125403	162732	160059	88635	87131	116224	111558	135569	143362	153603	163352	164819	158338	162746	150657	124522	114832	134100	126682	139740	142056	147165	141655	107819	104309	171640	168419	159479	166911	134932	118181	168892	157355	145176	138765	143099	143434	104623	100159	130709	138515	140365	134575	149948	151972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H N2 O11 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60984	61371	49635	48444	64641	59644	60227	60310	58519	61361	41416	37391	53200	52745	41860	35716	51532	50596	65687	69937	55911	55008	27272	26339	40173	45166	36430	32441	37043	35469	35096	33535	38429	36646	26975	26618	41625	37430	47516	47139	49007	48627	41652	37906	46714	43428	47857	48198	44152	44913	34748	36165	50075	44294	57007	57468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0308@1.6056587	44881	1	22485	30170	1	33851	40262	29103	29674	1	1	30775	33857	36070	31052	28203	1	47560	1	56619	30649	27555	48575	62528	35090	47347	41939	42084	37743	44590	40309	44702	53602	50700	32703	40967	44712	35639	42046	56712	47976	41424	42967	38997	22062	44808	49531	53310	39623	40116	1	25442	47932	46771	40013	44475	59440	51615	24232	21392	34633	26938	30212	23993	24149	23764	1	34913	29182	17807	28093	30335	26968	32237	16264	1	30887	21454	23303	53264	31689	43217	49152	33628	22814	22607	34245	46024	24702	27783	34729	26866	1	34409	68427	34625	25167	25178	25711	44785	36168	20977	54045	28092	42941	39246	40430	37019	51498	62437	52776	42562	20468	43351	27364	69736	23637	25749	27927	37623	27188	27008	24797	12798	28156	26735	20215	26991	21387	30431	21930	24846	27674	27550	32817	40345	27229	18924	25971	24737	16199	33848	23705	30347	46039	24344	41739	55269	23716	22580	22356	39747	22462	25386	29783	25393	43228	44619	22936	31384	23352	25307	20022	25522	87531	83418	77904	72444	69534	79125	80323	77240	82976	86761	89657	80889	89669	86773	47802	49377	45792	52155	50961	48257	76291	72978	64983	59515	51785	52592	60981	61487	55318	54185	50092	44564	56726	53665	49992	50085	56769	61834	51309	47921	61513	52599	57399	58155	59038	49782
Warburganal nullnullnull 9.592027	46878	51792	35395	41438	36434	35438	36120	39263	43599	41512	35100	35702	45218	37103	46717	30394	63121	43027	39985	36772	38857	39993	32490	41094	44083	39880	34281	43246	43203	41077	42795	47239	44418	52354	45896	43107	45807	44344	42693	42902	51630	42089	41554	46670	54386	48729	44535	48205	43076	37454	44690	37406	52507	65422	44245	33341	46435	63208	24047	27178	27784	31568	28236	25902	34229	36079	23142	28260	25135	29106	30535	27516	32198	41917	38772	40028	35570	44769	48225	44498	54293	44275	42387	41863	36742	37237	33796	28573	33260	28797	34036	27556	32001	38317	45394	45619	45819	46777	54508	53494	47556	47597	48362	48135	55225	50194	42596	44153	46903	55929	45019	46341	2169584	55225	9740	9649	14810	14854	19444	23952	10158	11651	9141	8931	1	1	14641	11134	13576	14204	10070	10274	12436	10765	12384	12315	18537	16404	1	1	1	1	1	1	11481	8570	1	1	1	1	11679	14843	10695	1	36530	36028	11707	1	24274	22886	1	10407	12019	14563	1	1	1	1	16637	11209	12735	12714	1	1	1	1	19076	20371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10353	12168	1	1	1	1	1	1
C13 H5 Cl3 N2 O3 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39649	40458	42730	44504	43753	42187	46157	43508	45077	41883	42402	37663	32579	34460	32568	31969	38233	40499	43854	36581	37471	39162	31969	30432	38203	39321	31814	36542	30993	25058	29874	30510	31941	29814	37412	35752	34228	33873	39635	36926	44107	44734	36876	38887	41489	44743	44487	44153	37733	31448	38985	40114	40592	40350	56373	47427	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
618.2805@9.559001	7887	7497	6736	7913	7065	7360	7176	8487	10682	10379	7543	1	8453	7583	10263	6991	24570	1	9274	7114	7656	8808	9036	9804	10373	8029	7092	1	9521	9836	1	1	1	1	1	1	1	1	7116	1	1	1	1	1	1	1	1	1	1	1	1	1	8335	8570	1	1	1	1	1	1	1	1	16227	15932	1	1	1	1	1	1	15068	13306	1	1	1	1	1	1	1	1	54751	30573	16886	15488	1	1	22790	24874	26980	23596	26631	20212	1	1	24424	20834	25243	21116	1	1	23523	21257	8192	1	10201	6916	1	1	12486	10115	9545	9008	10995	8446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.7916@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17512	23241	24989	24382	27829	22457	15784	23749	22241	19625	20748	14734	14551	18223	39325	36638	27290	23562	25873	1	1	10141	11845	13905	15691	16716	16958	21664	18197	19896	21682	20133	22150	21597	28167	36701	23980	28476	33791	35334	41328	31606	42184	34289	44243	30917	33915	31944	23444	23445	39035	37787	31857	30154	62688	44260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
329.811@0.8715269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31394	32005	32727	30891	16016	15720	37270	36393	31331	37030	49821	44692	14036	10071	34851	30065	52115	46535	35746	34535	31786	31808	8686	10345	13083	18160	40204	40543	9643	12480	13857	9780	10386	17334	18932	16643	16705	8586	19187	19201	42999	39665	21604	16593	31846	31575	33979	36782	54047	52036	37525	36607	36842	36872	36718	30273	66167	65990	65608	62866	37898	38948	63303	63951	77973	79914	67531	62351	64218	64224	64958	68351	66820	66430	64981	67222	71368	63949	64812	65549	65431	69599	56539	62625	65891	69094	67821	70646	65987	67583	77245	74920	63421	59442	72578	71808	38348	43220	74714	76484	32514	31213	64462	64167	73805	73233	39313	41013	44332	41072	37456	38359	58478	53060	33079	31763	40346	43984	56550	54060	53557	49448	37101	41119	51171	50414	28210	27898	28686	26925	43124	39426	29210	29834	31568	28309	52151	49422	30643	29907	47350	47822	30758	29632	67893	63516	36051	34380	25140	26625	35606	34766
553.7168@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45981	40068	44119	41717	48091	42099	53556	51920	50722	52814	49727	53000	42982	46385	28264	29110	51148	42014	50843	59648	50078	52573	49488	46926	43786	45315	47233	42864	35071	32712	38777	37596	35908	37281	26139	27970	37804	33148	37937	40508	47968	42599	40503	33180	35614	41956	38732	40968	49807	52531	45407	41382	46052	47835	46309	47431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H37 N15 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8514	21167	10282	18101	1	17930	12090	13787	1	16184	1	1	16602	170069	25158	130488	1	164493	10184	29636	101192	206508	25350	90831	154690	171786	88787	156218	1	119537	84957	111940	152541	82360	72142	264414	81996	190515	277266	94118	151946	201011	169969	287583	155799	76472	80459	80644	1	32270	89132	235370	131386	160288	1	261849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.8261@0.83874893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22342	25928	13259	16521	10567	9055	23704	27256	21085	24168	27927	28742	9624	10500	42345	40793	48979	50237	29339	11766	7555	7859	10100	9824	13908	16726	27462	24368	10360	15196	12327	14416	10497	12048	10846	16321	17855	13484	19198	14813	48772	46603	20968	19487	43630	34564	30639	33068	52938	56327	36011	34069	41206	41303	45243	34773	11319	12549	10586	9409	10248	9860	10538	12175	10171	9021	12090	10588	8794	11039	10330	12464	10160	10890	10630	10064	8500	13705	11435	11073	12284	11518	11870	14611	11555	11680	11650	11241	9104	13274	9412	9173	13508	10800	10006	11555	6276	9674	10495	6865	9922	7803	12129	9659	5932	10025	8552	6165	9204	9262	9813	8878	9804	8572	9272	7723	10618	9871	8861	12217	9866	9004	9261	10232	8809	9067	6926	6849	7079	5877	9490	7942	7017	8902	10122	5646	10467	9349	7532	6209	10199	11195	8262	7837	9144	8708	9063	8864	7128	6337	8033	7450
743.8533@0.8379818	30921	30083	29968	30610	31066	31434	25799	28498	33252	30277	33096	34301	31834	34080	33848	29224	27780	28366	28707	30535	35181	33259	27040	25764	33526	32731	31945	31331	26124	31970	21886	14809	20150	16478	22582	20688	18531	21748	21342	24830	17659	21389	17445	18972	17506	18954	23490	20234	13518	14125	25487	19164	27776	26738	13721	15579	25126	25800	24954	28235	19628	22231	17405	15318	16455	27961	21908	24449	19903	17389	16605	17715	42175	42903	32393	36986	24915	7465	13368	11424	18117	14880	21412	23135	18620	21068	22188	28283	28065	27328	22387	16863	33964	39578	26179	23072	34386	34544	41859	40346	33685	36262	40722	40682	42180	38685	32702	31754	39699	43506	43479	46103	62843	49548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.7971@0.8575449	21695	23774	19962	22397	28885	25263	20705	20641	23590	18036	27248	25026	22262	24894	19710	19494	26651	19909	23200	20805	24160	25939	18127	18345	20067	20926	23270	23397	17471	17060	49518	50115	50348	47329	46074	45960	50848	42148	41255	38106	41031	44625	44515	38567	43878	47935	38063	43617	40906	46439	20449	19817	39202	40775	47200	50844	47855	42417	29561	31945	25088	23499	24834	19355	37712	40499	33655	41541	31568	36945	23465	20194	14696	19760	34437	30706	37506	47209	36633	28783	17313	18130	22569	27221	32729	28143	23696	25573	21055	22384	22681	23479	11614	9297	21021	20482	20510	18748	32969	37263	19381	15302	21682	28465	25179	27184	41533	43219	22951	18958	25752	29090	22821	28992	17688	19635	20670	27067	13980	14631	27580	24110	24373	32226	21846	25064	26431	18743	22740	21747	26911	20593	25412	23945	20628	21736	23070	19980	25925	26552	25553	26644	23447	20619	26954	24955	22143	24911	26298	28366	24911	23203	27425	24471	13749	14356	23369	27450	13481	16075	22756	22351	27511	24946	11185	7379	11957	11523	8089	9458	18701	16953	9163	9872	12361	12585	20281	18701	13875	12383	9986	12142	13643	13556	10104	7591	1	5564	12204	15153	11847	7307	10596	9309	13324	13755	8941	10109	14289	16512	9918	10263	23025	26422	8013	11011	10423	9064	9176	9994
617.8058@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37874	46763	38901	39883	61570	51235	30634	29841	43731	42621	21629	31866	69426	69780	23830	14614	36597	24457	30701	39153	45106	38869	43962	55711	55598	58660	33799	35860	46938	50238	45973	54947	46850	52518	26661	26467	55813	56139	50938	53920	40036	34510	54783	54909	45433	49135	43516	29662	29309	18455	42815	44167	44037	32963	49199	37191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1-Propanamine, N,N-dimethyl-3-(5-oxidodibenzo[b,e]thiepin-11(6H)-ylidene)-, (E)- (9CI)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16438	14969	11862	12661	29132	27138	1	1	1	1	7513	1	46057	39343	13698	12429	1	1	1	1	13313	12877	49320	49959	31581	32085	1	1	50633	56193	43382	46108	39646	39305	13504	18058	46160	45315	42931	41392	10355	9397	37723	39417	13485	13115	19209	18728	1	1	29419	27950	20231	18938	17046	21822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.8058@0.8491572	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29560	29615	28887	30819	32581	34701	29283	29529	33498	32027	27726	25936	35021	32823	25530	25654	30886	30606	34415	25396	15935	18769	15346	20763	24420	28082	25930	24931	49475	50856	48129	56629	49191	52385	44319	39601	65967	65925	48205	48263	30821	30584	43485	39940	29729	31405	30498	30079	28339	30390	27618	29969	31048	28379	35494	35332	14315	12582	16425	14335	15399	16944	15748	14843	12266	10620	17109	12097	14141	14608	16271	15013	13933	16351	17170	15680	16701	14120	13996	12741	17998	19091	17051	15753	12997	9439	14281	14852	13946	13895	12736	13129	16594	16391	12559	14259	15511	14340	15150	11683	20787	19255	16634	15191	13014	14434	14326	11340	13392	13411	12828	12413	14883	11838	16012	17679	14426	13315	15899	16286	13351	14579	12453	13961	12195	8548	16871	16118	16900	20442	13092	10735	16706	18890	20350	17989	12430	7919	19342	18374	10234	14753	18901	17240	10571	13522	14370	17303	18458	18384	17849	16900
C24 H26 N6 O17 S	9914	10677	9915	12652	11297	11744	11099	12336	10895	13307	11636	11575	10400	11033	10144	10141	9171	10077	11436	12320	12779	12797	11127	13008	12686	11884	12828	12204	12838	13459	13446	13373	12883	14235	14421	15278	12345	13350	13636	12532	13204	13970	12135	10875	15324	13306	12949	13426	14760	11983	14117	14537	14265	12694	14628	13500	13417	12416	8917	8669	9621	8955	1	9085	7616	7472	7728	8090	8386	8679	8530	7515	10421	9775	12733	12735	12471	12765	12534	11639	9497	10943	11836	10250	10436	9905	10122	10587	12057	10778	10952	10769	8149	10108	9613	10516	11255	9535	10206	11214	10535	9175	9705	10582	11651	11842	10313	10312	10180	10790	12157	10886	67326	11439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Heptyloxybenzoic acid nullnullnull 8.926055	18692	18518	14048	11107	13147	12713	19785	17760	11989	1	12700	13939	10755	10136	7368	18716	18179	18217	15886	13442	13723	11975	11210	13156	14933	14523	16486	1	1	1	1	1	16909	14077	11200	1	1	1	11409	20326	1	1	20194	15602	1	21501	1	8997	14587	16494	15342	15572	21583	9690	13443	14736	10931	1	16157	16030	18739	19219	19947	19371	19079	20249	21471	19677	19372	19674	19959	17068	18034	21700	23934	25238	23078	21526	23864	27381	26427	25367	34587	25409	23893	25523	31258	22472	20757	26506	17591	16852	15259	18082	32543	32234	37350	38353	29376	31214	27614	26247	25815	26390	35536	28805	20785	22618	34366	25268	19888	27962	592206	30531	17327	1	1	16458	1	1	15749	14051	15095	20212	14533	14011	7441	16923	17863	1	16014	15362	1	1	16482	19081	17115	16259	32623	27872	14232	5508	8628	30765	16527	9396	21810	14113	16985	14306	1	7387	14909	13400	1	1	23066	10872	25842	22036	14616	15873	10979	25277	9341	15158	11292	15834	18953	12414	1	16733	1	1	9585	13232	1	1	10386	7601	13090	10751	10659	9616	1	1	1	1	1	12329	12029	8584	8573	10990	8391	6874	1	1	7962	11662	1	1	11722	13523	11464	11004	1	18410	1	1
544.8419@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17490	20921	18096	17297	32078	28764	17450	17184	18019	14987	12812	17045	31805	31315	11836	9932	13712	8444	17702	17871	17249	19520	19016	22910	26286	26977	11708	11731	28298	29155	28147	29575	32469	31737	22543	15702	37167	31453	24997	30120	15014	11379	32389	29352	17889	19288	25431	21612	11086	9566	15079	21707	16871	13704	23919	15024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
301.9393@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34922	20793	48927	54808	110806	103986	20199	20792	24281	25670	19913	19612	110218	107249	34148	34515	26265	28028	28454	10640	40384	43200	85621	86939	81458	85988	15505	17073	116313	114096	109885	115469	114175	112222	54927	78740	129703	129954	119631	118883	30639	36715	113976	113169	37420	76447	37197	70592	25264	24796	31413	32777	35714	32643	89912	40759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.8722@0.82677877	14456	12734	14084	16508	16279	15378	16375	11406	18625	20619	19235	17973	17257	16840	10634	13414	21506	16661	15969	15694	14051	15098	11290	11235	16668	24203	16307	15008	14224	13448	25796	31222	31672	32275	33068	26752	34456	32393	26108	27074	29807	30344	29058	29970	17628	18456	25421	23529	23700	25994	14732	11560	24615	24381	30901	29749	30264	33592	14179	15628	13186	13741	11196	10869	15610	12891	20975	15111	16956	13174	1	9273	15952	13439	30357	22890	26272	17138	7162	14931	1	1	7725	9722	18127	14847	1	1	8360	9821	10595	1	10472	7700	10203	10740	8721	13622	18120	25009	11119	13327	19450	13097	16054	17087	23490	31272	21296	14153	15752	15893	26157	18705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
845.6437@14.033846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31397	120345	6929	20358	154557	1	1	169664	1	38347	100337	1	227966	73064	59309	208102	173597	24883	37210	99506	26531	22427	1	1	1	1	104948	97644	1	1	1	14692	109002	26369	179563	21230	189094	144376	46230	153908	24777	1	93763	12995	7964	16123	330024	1236477	27901	15920	114355	28994	199366	30782	310873	1	19366	35821	25646	12608	18361	299536	20848	15111	15200	13256	13052	33962	12518	19687	47471	21915	19963	54959	28034	97753	17290	13313	14844	14482	37466	11941	79870	91868	15040	62608	1	15420	8997	19356	9196	96130	30360	15333	13744	18716	96353	311854	13874	13749	18281	14393	20793	15710	11796	1	57337	73290	1	87927	52129	259278	17633	31828	34215	239788	1	1	1	49586	62813	287696	125037	101880	131255	215822	35216	23183	447506	30087	50594	46990	52051	1	23195	40500	179771	25533	56814	24464	25106	23081	53163	96860	108039	34961	28864	66629	29693	110145	405758	105352
351.903@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30172	25261	26890	27183	36390	31734	26967	21647	25614	17020	16291	23392	40345	41467	7600	14895	20384	21882	17292	22766	16903	20007	28633	22743	33986	28833	16864	17512	44847	51318	35070	48342	37320	40818	35070	24284	45048	44304	34768	36874	18753	27005	39680	36511	33391	21593	23800	27271	17605	17660	26741	19061	19645	16035	27603	32163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.9744@0.84199995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7219	6306	5726	6670	1	1	1	1	1	1	1	1	1	1	1	6509	1	1	1	7416	1	6124	1	1	6913	1	8293	7305	6670	7221	7251	1	7298	7631	7167	8845	6839	7635	7360	7409	9222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.9976@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34999	40156	29406	28078	42486	40792	15876	15409	22377	25320	59575	58236	41079	42955	16153	15265	23781	22894	18227	21417	31216	26368	60496	54825	52824	51402	56693	50811	44979	45853	43496	43381	39548	36281	23231	23573	37680	40086	46934	44138	15836	14522	37819	40954	21645	24934	28094	28434	36596	35095	30188	28857	30027	29727	32757	31994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H6 Cl3 N3 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38471	35190	30675	34753	45727	50352	28067	31524	31904	33389	27537	24391	62257	62826	19697	18914	27759	27085	27782	32825	29172	32413	49269	41075	51615	48217	23671	21504	58754	56151	42106	45277	52119	46817	18252	22663	57994	51920	48302	48143	28152	25271	45544	41331	32897	28640	28292	31762	19640	22701	29099	31577	31560	28647	35332	33085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
405.9064@0.84601945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39787	30649	27965	29357	29398	28634	22086	24109	28489	26139	33110	36183	34619	34084	42831	42754	37166	39609	28620	15140	12273	13234	35941	32492	36145	34651	21616	31729	46270	48304	45006	40565	30334	31224	33149	36026	41148	36800	46732	49150	41260	45642	37570	45476	37159	46684	45700	49014	41327	35763	49307	46158	42727	49998	63720	45119	20972	21784	23446	26377	26306	27740	25116	23551	25109	26286	25861	25585	24390	26880	27347	28692	26319	23938	26571	24017	23027	18204	21968	25417	29024	27875	22066	23736	25494	26673	26431	24816	24526	25282	26131	26995	27113	26387	24019	22325	21290	22013	24017	25529	30443	24188	25559	26115	24325	27367	11604	8079	11846	12559	9839	7423	17880	18958	7297	7305	13743	12409	15445	14306	13358	11118	8647	11367	14067	14176	20443	7639	6398	6991	11327	5757	22927	24622	6658	6463	13223	12806	20068	23262	13289	12544	7332	8840	20339	20630	8686	19899	21961	7521	5739	6602
meglumine	38603	40361	59366	61457	50377	50591	71878	72468	70150	67108	38998	35097	52439	55284	27589	30250	39460	41422	53271	54225	19170	20753	35187	36018	42313	45573	35905	31282	55675	55558	1	1	1	1	6984	1	1	1	1	1	10262	8788	9164	1	1	1	1	1	1	1	1	1	9287	9521	1	1	10674	9129	22742	19662	17344	18141	45567	45624	18205	18202	11136	9598	11886	11655	36677	38333	14264	15594	12202	12607	14159	14449	22885	22827	32331	30043	22904	22376	8719	8746	50270	47981	38953	42339	29764	28327	23817	18894	42534	40933	38883	38528	12535	14486	39551	38027	22335	19261	12331	12710	1	1	18305	17003	16861	16876	9523	15136	25327	25572	1	1	31475	28224	20341	17571	10469	11463	22879	22617	7441	1	21439	22817	18374	18685	23654	20670	26051	25921	20334	17524	21291	23446	19804	19299	21651	23791	15945	18609	1	1	9615	10547	15144	15540	12878	10179	10533	10725	10211	9845	28568	29639	21244	24440	12147	12979	24651	23668	27741	23904	16427	17284	9415	8386	33448	36565	23480	21877	20214	21115	21680	21613	28490	26246	16569	15890	40459	39035	39296	41054	26198	25442	50480	46187	39082	43177	21954	20816	27758	25624	19947	16834	34418	39794	13320	15138	37550	36369	55043	51954	22983	25357
4-hydroxy-valeric acid	48065	71449	31146	29104	23296	32340	38242	45895	78302	28409	39790	38682	77001	37803	64754	24151	64503	50900	41662	69876	69924	44320	68223	44610	75657	27398	41513	40776	36394	40437	55148	89185	39283	88326	40325	40967	25849	34376	48242	40429	28134	68684	88036	81678	43335	88414	83731	85148	83074	115612	110143	47231	50929	43704	119442	27082	76465	54455	29765	1	31784	12106	33865	19441	18139	52132	1	17942	45577	39955	39005	29296	21396	39797	53069	14105	30818	39975	30119	40170	54829	25190	53779	37199	21592	23479	43953	61057	22440	29706	20585	20025	70292	32455	41072	27843	45680	49991	20843	19134	42277	43718	31022	23354	36307	41849	54335	32248	51380	58472	42192	36268	38634	55192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.9899@1.2621224	60676	69295	53553	86865	62141	68066	73068	63896	68498	39538	76927	59215	75099	54065	69079	57859	98091	69392	69056	56301	61850	64337	65828	69442	64595	69736	78479	61895	74812	75040	42186	38855	41583	39097	33579	36568	37645	39007	45184	38827	27673	27982	43275	41861	30513	27455	41808	40578	34444	40669	31947	29004	46595	47505	40974	37661	27961	46398	26467	38689	41827	42806	69371	45887	32789	31318	40768	38475	31964	32059	107590	50595	27071	20779	37361	27329	25125	19453	20798	33797	63984	32206	60257	59748	22221	27622	77043	80695	70050	30568	87009	88068	34135	34228	85393	82841	42294	91886	32817	41357	71537	69859	49492	36569	62463	58777	36071	38726	52166	47923	43255	40185	29386	66686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzyl 2-methyl-3-oxobutanoate nullnullnull 7.213997 nullnullnull 7.213997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14005	1	16135	43051	28718	30555	11496	11387	11788	17079	15791	10811	18218	40970	17666	12140	10135	13695	14047	17636	31806	22630	74487	42424	41020	46502	29215	15610	27104	27607	20852	45442	46515	28847	54760	14084	30600	21929	37624	43928	17984	24124	46527	42196	14899	29665	57708	26272	10337	14285	34030	88647	66510	33783	156118	30583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
700.8785@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12485	9388	15723	14768	25584	33488	1	1	1	11763	13883	8418	40140	42631	14832	13685	7625	14027	1	1	1	1	21780	25950	22662	24643	10478	10485	51988	58570	48424	46660	46008	53169	17149	25703	61097	61498	46553	41654	12198	18143	39274	32001	22251	21650	20375	17987	11784	17121	21739	17771	19230	15949	27334	17335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,5-Didehydro-D-gluconate nullnullnull 1.1819994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11206	1	116298	112170	389954	379300	14828	10788	26878	30162	23430	27195	668295	696910	11137	14138	15508	16693	7991	1	42366	45711	501083	354727	115992	138165	28278	26168	1192878	1247730	590951	598786	608943	603236	1	1	652541	673854	209107	204377	18458	18160	288246	288138	59893	60823	65437	56034	10942	11908	48913	52105	15287	14082	90890	99884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
687.0063@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16726	17302	1	1	1	1	1	1	26713	27070	1	1	1	1	1	1	1	1	14112	15823	9260	10119	1	1	42498	42667	26273	28895	17860	19714	1	1	28265	24786	14517	17700	1	1	12399	11414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H10 N2 O7 nullnullnull 0.9239603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41430	45490	43605	40687	147698	146044	23945	19739	19423	24948	1	11487	94924	98818	15310	16566	19082	24422	29941	17838	53471	58940	94088	87763	82242	91340	13119	14859	169816	179544	120364	132531	113422	107928	20277	28782	125461	125492	106662	108066	44284	38526	105121	105019	42711	49549	52480	45042	1	1	42249	51316	37197	36144	62325	53965	38180	29765	44805	40161	44332	42763	45916	45654	1	39931	45413	39592	42016	45864	35124	34762	36931	45831	35642	35501	36966	35575	40251	46054	36204	39698	46676	47596	34187	41815	37314	39369	41615	37109	42123	1	41415	50951	39903	38366	30367	25270	35067	1	49101	42156	38191	40327	35597	33660	29090	1	1	1	32399	30492	1	1	32191	34533	1	1	35047	34454	1	38148	40580	1	1	1	35372	35979	34262	35024	1	45536	43247	33449	46853	47830	1	36107	42983	48082	1	1	36249	38109	1	1	39202	36960	30623	28385	35186	36137
317.8376@2.8277006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43793	39411	34944	35217	55258	76475	42614	51744	18072	51710	68032	55231	1	1	22529	26959	1	25860	1	113217	56792	43004	25868	24013	76082	69635	65850	37968	51292	64729	64368	72529	81262	84841	35027	52233	42603	70060	1	91619	85129	86507	95852	47663	83276	92694	92680	84375	109684	86831	84081	82362	48301	81902	85633	92479	77240	88774	84686	103203	99854	87995	56527	133525	64807	62209	96377	102375	96378	92733	102249	103204	91355	107334	105848	57498	117062	52256	66515	59415	87275	86905	104385	107642	91348	52294	100674	94209	93203	99392	46630	72542	50732	39944	73410	55701	77986	51160	60806	48042	46238	68410	41709	45654	170149	1	1	1	162834	48377	1	1	1	1	37940	34227	21261	1	1	1	27580	59248	18556	1	153592	39501	1	24911	28833	22521	24248	22920	22579	1	1	1
C16 H39 N8 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9783	7566	1	1	1	1	1	1	7891	1	1	1	1	1	1	1	10311	8649	44178	18952	11023	9925	1	1	1	1	8045	9367	9449	9412	1	1	11467	8096	13216	9936	7356	1	13242	11633	6739	7384	12772	7343	1	1	7685	6674	1	1	8059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7964	7504	1	1	1	1	1	1	1	1	42883	41214	43505	38510	1	1	1	1	39939	34946	104440	81154	37312	30255	36923	34243	65427	55532	27254	26224	58678	53644	20671	19166	36568	38180	44650	44585	32278	32309	34984	34561	49805	38648	41121	42693	118508	44050	1	1	65923	54514	107974	155110	53351	43444
422.2335@11.112151	21417	18042	1	12564	18760	18372	1	1	19068	20230	1	1	36914	20965	20608	12503	78797	23676	24136	20968	1	1	13817	19969	15494	12933	7462	1	8878	7834	11801	16113	19275	19882	16986	15225	25526	25805	14644	12554	16921	14497	1	1	10593	9430	7413	7903	17915	19621	11113	7649	5954	1	14705	15494	44064	42547	1	1	1	1	1	1	7256	1	1	1	1	1	1	1	1	1	1	1	16075	17017	1	1	34821	8751	26015	22618	1	1	1	1	1	1	9232	8210	1	1	11156	1	12358	10402	9865	1	1	1	1	1	27914	20859	1	1	9542	10510	1	1	16463	1	12960	10594	1	1	13986	12276	11539	1	1	1	11605	12559	1	1	1	1	1	1	1	1	12215	12418	24432	27348	1	1	1	1	1	1	33271	33597	1	1	18387	20305	1	1	9126	1	9180	14048	18574	18249	1	9500	1	1	13959	14007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10340	1	10123	9320	18059	16810	9066	12805	1	1	10698	8311	1	1	11639	11594	1	1	1	1	1	1	11886	11229	1	1	11245	12140	19934	15490
172.0731@4.5322146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14435	1	1	1	1	1	1	1	1	1	1	51106	36635	1	1	39425	82578	71607	57217	71533	53240	61432	58507	63438	41141	46261	1	57138	1	42728	1	1	1	70963	56471	61436	70961	1	68769	74596	70483	1	37636	56540	45979	1	45865	86769	55932	38752	40964	1	44310	139275	170472	76737	79495	98330	176900	88463	87338	115425	51888	51376	199555	74722	160485	145868	111846	80551	112052	160268	102315	123765	117267	135706	36952	81492	113845	128890	138689	145108	135656	72349	94942	82099	73684	35812	93079	93045	132119	149783	70231	104368	136232	84315	133391	110142	113022	143132	92192	105642	132598	48013	1	1	50716	89750	71615	78751	75794	60578	69555	1	43035	131803	151122	1	1	1	1	1	1	54728	1	143448	176214	1	1	44278	65102	35377	59273	1	1	75336	73586	1	1	58305	44197	64466	103413	1	40049	1	1	53520	28640
LysoPE(16:1(9Z)/0:0) nullnullnull 10.425997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9794	9006	11103	1	10772	8270	1	1	1	1	8655	1	12171	11643	1	1	7872	1	22006	24185	155675	33083	15971	20508	1	1	1	1	12817	12366	10574	14331	9426	8747	25347	11393	19478	14992	15086	13104	17323	12035	13746	13994	41016	16093	1	1	21400	17135	11409	11934	48867	18248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 S3 nullnullnull 1.1021161	219209	219677	217844	145852	239778	236275	141950	218924	223482	86690	237471	221674	134571	217466	216344	218454	211536	156574	228829	81075	253226	258674	42536	142097	161210	260256	174150	67418	152916	89920	321047	313796	296100	295908	309010	311262	298017	315967	297970	300504	324709	317769	197027	333652	327848	308542	205981	325198	332137	350452	420694	381467	318129	324543	363447	345373	310351	331690	143178	258169	86636	231241	176690	181578	231970	234255	173237	232772	182627	167235	164834	8871	132428	113769	73452	184135	195094	188681	73659	170862	101869	191978	164524	181837	80286	65086	38678	113058	115050	148068	72502	157343	561052	302889	93315	200754	142562	201093	92529	255684	12294	205070	110347	110627	233619	199081	256096	264632	92496	98226	90221	188978	1	42137	247868	242956	243690	252768	262116	176685	250632	171366	267799	261450	166377	241094	202586	247103	169840	185821	246276	254875	172214	259342	187468	263243	171068	256967	248958	248285	253066	239908	185525	183766	261721	168756	263135	184532	278708	256281	253203	246962	160173	275587	268432	268999	266278	268900	268644	261636	181596	257224	264546	267370	285723	283772	198706	302027	286615	1	291676	553340	1	211234	287947	306870	280582	1	266816	177255	268802	284392	174959	290412	273585	270127	119624	171494	306024	290148	1	295917	285409	288847	322282	323268	220715	299737	309342	612654	218908	1	241731	353885	1	1	1	298633	211011	147796
752.8952@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7296	1	5980	8069	17564	17356	1	1	1	1	8619	10730	19310	22238	8673	10056	1	1	6680	1	1	1	10945	13879	12153	18426	9571	12124	24623	25287	29349	29912	39299	37808	22438	27160	48722	44883	46658	46337	6434	8098	37342	38580	10450	10250	14971	12652	9947	11599	13124	15372	8134	12057	19752	12655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H3 Cl N2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	254469	246035	227928	233916	173792	179926	261061	246901	258191	253486	237666	239070	146188	149306	157035	150248	217323	210149	216379	221160	204066	216129	131641	131275	164460	167652	210115	207144	83128	86819	107910	106176	111024	109040	114071	101914	123410	123532	146183	145029	220382	220214	162185	153054	207350	208188	195273	205302	219639	220008	197426	194717	208324	203500	172049	208122	26236	25904	17958	26938	16063	24931	23473	18413	23097	16530	15768	23888	22928	23187	20630	22818	24454	24100	10885	20548	26192	19321	24775	23549	14267	11803	26860	30792	20413	26181	24264	21563	21618	23127	23935	20480	27751	21942	12930	21732	20812	11282	10826	20508	26785	22548	16004	20498	22986	22118	14558	7658	7024	8614	9033	19111	15809	8439	8434	8866	8298	9748	12446	15398	15835	8622	7770	7575	14496	7074	14921	18531	6597	7519	9116	16354	8593	7914	8485	8282	13769	1	18308	6820	15705	7282	13997	17154	1	13638	16838	17902	17481	19751	8515	8215
811.7738@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48068	48764	42540	52742	59292	61263	52475	60269	52281	49331	39783	45332	52224	58489	31787	32164	43761	44903	50045	45373	34115	40428	40580	43335	48569	56023	38713	34017	70486	67822	72472	65168	68922	80584	55686	61199	82456	89755	71483	76334	35486	51891	64955	71580	55336	52263	52608	52515	36906	39283	48818	45697	44913	44136	62906	52946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
760.1061@11.9509945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137256	75412	144774	124390	88955	138029	165044	155445	131674	123126	68336	281836	99187	88707	85247	63808	123734	73141	75812	71307	81984	87490	119872	67846	102659	83153	80015	39593	71863	46420	70986	101173	72330	46121	67942	147658	90190	108657	91200	67510	87546	70108	92706	92067	74553	71237	128210	72871	98926	75724	87837	57847	73826	79206	108203	83917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.9678@0.8074221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	292398	301802	295939	294272	464836	458586	265104	264779	291566	294685	237709	247829	496005	499375	343984	323611	327125	329676	303113	214134	190924	220735	271730	291705	335682	386430	237586	249574	529964	542395	502368	532617	589819	598268	459250	535150	702120	698455	620761	617571	378343	384085	585263	592360	437230	440036	451426	466164	350232	332301	392482	407982	400925	387571	563801	492260	181888	169698	190314	194310	186359	192071	207377	203755	184324	192304	71160	177094	157145	165423	128155	131141	171918	173989	131769	139003	135865	140956	177006	176352	163777	159883	174151	177661	146804	147603	176766	176429	149318	155317	180218	179721	170271	163708	163999	153836	49607	50704	154158	159699	160963	162537	96894	121406	136510	130642	45675	45508	49563	51443	59422	56821	95470	101130	61252	58029	77667	67191	56856	58678	42241	44405	45892	45921	45503	44646	41696	39920	59686	63397	55547	51401	33999	30132	87540	85800	44889	41493	53803	53106	40818	38859	70381	55166	70191	66176	42735	45857	31199	34647	35749	35481
C11 Cl3 N4 O4 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34121	35161	38150	37873	42192	47808	39047	33286	40701	38932	27756	32724	39325	38589	23798	18756	32742	33391	37140	33452	35393	42563	33255	40858	38775	38113	32348	30086	25555	29665	40032	31736	36625	30437	21630	23847	37002	37432	44795	40965	34234	29714	42417	42874	39945	37999	42241	42338	27484	30127	34754	37915	35962	33118	42810	41339	9132	7738	6945	6482	7807	6500	7101	9386	7149	1	9114	9283	8712	1	7649	8157	7713	7655	8781	9683	8047	9378	8926	10343	9781	9871	11782	9084	7300	1	7531	10500	1	8902	1	9205	10914	10151	1	1	6702	7478	1	1	10976	9698	9207	8284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6442	6591	8202	7295	1	1	1	1	7998	6736	1	1	6437	6691	1	1	1	6943	1	1	1	1	1	1	1	1
256.003@1.366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17269	11077	1	1	1	11258	1	1	79201	430549	1	1	13847	12596	15847	1	12171	52905	14124	1	9794	1	13031	14451	1	19180	18539	7435	340877	1	15559	18912	9890	14602	20684	13638	17526	10774	8537	1	8252	170537	1	1	30999	9143	1	48192	1	34670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H21 N4 O20	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	116201	131540	97961	127535	271986	126409	124818	123400	137139	85768	67613	126646	183344	261117	58160	60105	58780	93956	40968	53618	1	64004	42625	1	60391	63968	50488	39720	46550	50332	46426	72448	39573	63069	45374	72538	67653	77642	46579	75342	53559	48206	51675	75312	44596	49808	64581	67535	49406	43158	38784	50862	59018	46562	47205	67943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lactosylceramide (d18:1/26:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20056	24303	28951	27014	19980	22013	26348	26262	23893	28063	17428	18724	16451	21187	41486	37136	40430	42924	28347	9607	12287	10838	15138	16233	19708	21737	19370	19680	14129	20409	22786	25007	25033	26095	27479	35447	23337	27963	36977	36418	46558	46916	35483	39103	51422	46850	44808	41432	35541	39096	41843	44528	42451	40660	70042	50774	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.905@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48444	43509	53377	53528	93726	87709	42554	43449	48157	45993	34040	33294	88210	88112	41092	36645	41770	36607	46902	38294	37892	41550	81176	76676	75867	72186	30641	28209	84817	85210	81700	81929	81405	79528	43552	48668	84609	88477	79094	83832	52614	50398	83132	76047	61031	58708	54092	57039	33063	31493	50296	60168	53321	54665	74223	65842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.0332288	261455	266400	283251	272417	222935	221177	256889	259947	251887	265913	192468	209278	251754	250249	255021	361798	203126	211805	213405	221534	168070	167527	345618	325353	224101	206262	218173	228164	223638	235320	56024	57301	71084	69223	38923	45195	61213	51150	38881	46943	62264	52221	99612	94541	60933	60309	45149	37925	46657	47426	18358	18624	104214	104077	35553	40467	61431	61501	31772	31009	29181	38783	45915	96351	89249	267140	140172	144181	30089	31601	200704	192977	63886	55637	172823	165963	107030	315252	374136	409707	30801	111284	429804	175004	134403	211708	327307	335825	56599	114804	246150	243595	23617	41625	262722	278166	246235	236787	104201	155879	267508	280571	106547	61463	100630	107332	27861	172794	190406	122911	63316	159785	217594	114329	50845	49899	53601	57193	46578	50377	50187	41939	31976	35792	31783	30865	60292	60245	62013	62143	42087	45058	53966	41475	59670	58043	46771	45402	39959	29630	37234	30878	33976	46120	1	1	49300	49935	49649	41863	50188	57897	37917	56889	70302	47211	48707	50770	40404	58177	56164	51757	86118	79243	28254	25448	24644	25573	93127	95636	63966	61311	200819	202104	31438	33643	80711	77815	27146	28542	29950	31506	21255	20784	90164	88359	100148	105582	39028	36025	61530	63898	69314	69121	30275	31665	71353	67241	21749	23606	73034	67537	131558	128078	107157	110339	31140	27584	141909	141712
364.9866@0.87200093	21334	20865	24539	22059	16773	15771	24546	24593	20832	20918	14915	15177	18478	18302	20571	18273	19001	20088	17744	18656	15387	12978	22752	20151	18825	17552	18380	16132	23618	25814	1	1	1	1	1	1	1	1	12684	13133	1	1	1	1	8187	8761	1	1	1	1	1	1	1	1	1	1	1	1	17676	17409	16806	18234	26737	24760	12290	13210	14957	17556	27343	28687	44342	41580	19491	16681	17675	18030	10252	5917	8612	9292	30853	32592	31001	30132	27034	26902	32306	31413	30745	32074	41865	37681	12109	17740	37611	39855	37997	40408	17650	18045	33791	29969	19865	20750	22170	21675	28121	26163	22668	20452	20883	18791	23493	20765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34256	36434	37071	34910	16602	17618	45749	38935	40915	38403	41152	34816	17651	17713	49981	53853	69092	71220	45256	20150	12092	14121	13364	15709	15727	20169	38054	39752	16771	15047	16536	16293	16458	16191	21943	19971	16433	19501	24616	20874	69959	72725	26019	23687	52543	49737	51738	53589	76875	77101	48948	49752	59352	54741	54589	50912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.1007@9.903001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26425	23849	1	1	1	1	1	1	18946	19034	89614	95057	61463	63918	1	1	27072	25348	31044	35878	33026	29898	1	1	43999	46568	53915	52422	1	1	45134	41223	20628	19420	22818	27358	1	1	19735	21323	20520	18319	99127	27392	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:3(8Z,11Z,14Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21657	23591	9856	9106	11183	9838	9665	1	1	8524	1	1	13894	11278	16508	14876	1	1	33693	28298	58599	56240	61935	29908	16149	14125	1	1	19948	18795	22320	20709	20429	18132	10008	12485	22984	18769	26700	20261	28202	26423	25297	18647	28781	27884	42224	17480	1	1	24756	21291	32704	31523	29048	17749	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
570.9131@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17679	17208	1	1	1	1	1	1	40237	39560	7127	10378	10795	1	1	1	1	1	18776	20445	14215	15408	1	1	49602	48560	29839	32776	28671	32157	1	1	36736	34214	21811	23018	10515	10083	17154	15695	1	1	1	9574	11999	11672	1	1	9358	8021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
299.8229@0.8645083	54667	50476	51507	52182	58227	56112	49297	51459	60260	55935	52075	53491	54255	60269	47415	52162	54963	52598	50661	52012	53213	50388	45701	45044	51792	53137	50727	54530	46931	46482	82590	82540	84118	84686	87271	82206	80646	93473	81837	80022	81441	79482	80241	81211	75393	77135	77947	74618	83292	79347	42888	43941	78031	75089	86952	90207	74159	79280	32687	33703	34541	32858	25932	29280	48369	44867	41774	45753	45746	44698	27098	21602	22070	21497	39460	42646	41681	53900	41767	41610	36554	27235	27824	19975	42247	42663	25727	25019	27407	19371	23322	27210	14381	14377	33389	14075	22806	26653	33150	34909	22539	22089	29711	29632	28415	30652	47197	47788	25999	30495	38226	33888	31637	35481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tranilast nullnullnull 7.5759993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35241	34562	1	1	1	1	1	1	18269	18653	32766	32062	20404	17446	37432	38348	34699	36750	85671	81550	81490	87836	107937	102656	29751	31662	22010	24560	36646	30157	24068	24970	1	1	40071	37522	88687	79799	38035	39164	74016	70256	49191	46648	56574	53357	39617	34294	62614	58029	62274	59944	59714	55942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H7 N4 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10124	9044	17121	17436	35715	34917	12516	11056	11215	13834	7742	7967	49645	47658	8967	8543	5728	6624	6462	1	17969	9163	27911	34420	19035	23874	7472	1	38973	41251	29760	31780	47119	55449	15585	16542	49577	49296	43377	45124	10405	12109	31702	41908	18034	21570	25598	23193	8018	7389	17398	12432	8671	8006	26770	21339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H9 N2 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19336	17003	16858	17971	26040	29487	14388	13699	13817	16184	13154	13753	50612	46667	12237	11493	14926	14759	14177	17260	21043	25504	39109	38065	35675	35073	18799	16719	53857	54538	40580	41742	44739	43846	7945	13161	47052	46351	41617	41990	16094	17524	32990	33166	19721	23604	23239	23664	8215	10796	18326	19491	17190	18160	37259	24322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H39 N3 O8	126515	111113	41557	61285	60851	60465	45141	33571	89727	67443	77877	84602	147552	71203	151851	102335	346242	82849	143998	81278	100142	130177	47680	45467	140992	80765	85558	63518	47755	41943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8717	1	1	1	1	1	1	1	1	1	7263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12655	12740	60850	16728	10244	1	1	1	1	1	1	1	1	1	1	1	7993	1	9609	1	9228	1	9144	1	1	1	25839	1	1	1	8237	1	7302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13982	13297	1	1	1	1	1	1	1	1	23877	26301	30462	24191	8204	1	1	1	25936	18738	85337	64951	32324	28728	15826	17265	40616	28826	16753	15224	34635	25006	12793	8969	22442	19523	22109	20953	15585	13311	16939	14548	32972	21179	20849	20511	96228	21616	1	1	42302	29182	81960	125418	33058	25209
496.8809@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27588	26743	19092	27915	32447	34313	23223	23490	23523	29298	21386	17572	32039	34213	23674	21334	24064	29423	20667	18985	15048	13793	18552	20523	17662	21175	13928	19437	32895	34357	33617	32480	31884	34838	25842	32633	37514	33989	34487	43346	26807	24319	34595	35071	29014	21970	25531	26934	24355	23472	25098	25474	24878	24206	28132	29264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
590.2233@0.98500043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33632	30729	36031	30473	39855	40136	33221	32654	37615	32594	32556	33289	33512	35385	20544	19904	26332	21611	33437	29079	33963	36140	32748	32682	34043	36052	30778	28594	38622	39995	35619	35973	33123	30884	29870	28317	39354	39030	39352	38487	25178	26208	42621	42456	41094	37478	33453	36677	24404	26534	27927	31443	37341	29285	42868	44105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
380.1682@12.390657	6268	1	1	1	1	1	1	1	1	1	1	1	10557	6863	9466	7596	24335	4645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13803	12194	13721	10141	1	1	11279	9563	1	1	9161	7593	17063	14215	1	1	18284	19297	13306	18261	23089	20230	35080	24934	15467	11810	20619	15386	1	1	11243	10804	10064	8286	1	1	13095	1	20326	13509	26513	22505	10427	7095	15735	13927	44368	15317	13373	14323	11448	1	10984	9854	5914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H6 N2 nullnullnull 8.823352	35006	37425	33126	32604	30895	34001	31712	29902	33473	33675	31647	32048	33900	35608	34542	33972	50243	38055	33729	33872	29339	31214	25107	26979	32730	33212	35805	38918	29345	30777	30321	35302	36543	36668	20486	22035	20094	20026	30979	35044	26854	27188	25617	27050	29242	33884	30295	29894	25659	25366	1	7514	30366	31568	22143	22263	24979	26553	16035	17866	23280	25254	15839	16468	17291	20441	16246	15832	18669	19361	13519	14478	19848	21440	26673	27233	27593	29217	26053	25238	42146	36139	31143	26875	24090	28603	25426	25112	24284	22351	25117	21679	8077	8694	21814	23731	26523	27544	19775	22400	28755	31889	23504	24442	24170	22426	24373	20108	20856	23048	19957	22516	46491	22164	33700	39360	29888	27169	31623	36549	24117	24260	30785	28738	36495	41568	36462	37222	36719	34556	33667	33386	30673	33638	35899	36135	33654	36505	32747	33781	33009	36578	32348	30301	37126	37207	27609	28135	21874	25334	29528	35724	24182	23087	35368	34468	24846	24995	30062	29197	28079	32865	28934	27706	19065	18112	20847	19957	21025	19577	17248	16103	21168	24262	18876	21653	20208	18721	18188	16282	18639	18870	14571	17695	15954	14947	19529	20106	15499	17138	15120	16110	14764	13470	16432	18549	21982	20364	16923	16344	20530	17731	19276	19218	16101	17106	15974	20434	16438	17159
Uric acid	14831	14849	1	1	7036	6627	1	6340	7398	9775	10186	8364	8621	6981	1	1	8670	8780	13828	14004	10362	14099	6786	8016	1	1	8761	7998	11555	13181	104100	97544	152301	147305	52351	49859	39208	38142	108689	107765	89219	94271	45321	45402	63927	59195	93581	90642	13520	14212	14663	15350	95449	95572	18298	14988	168100	162400	31997	26145	38392	40730	110634	106618	31125	28156	39457	35879	32158	33335	92822	96796	18489	16697	30241	28072	24043	21833	15747	12453	83320	77844	103722	102252	26462	24840	126593	125849	86588	52721	75197	74288	19780	22403	81572	116470	78429	80839	30937	31552	101517	102595	35891	37649	33388	35561	22659	23024	23801	23090	34440	20802	44164	43441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9182	9460	1	1	1	1	1	1	1	1	1	1	7380	8054	15261	13960	12072	11551	22871	21104	66202	67445	12276	12349	41893	43451	13426	12163	21427	19178	8160	6986	39092	39719	76253	81483	14407	14792	29165	28830	93394	92385	9969	9171	91216	85388	6782	9215	51759	56196	28879	27285	45149	45189	44914	47934	90722	85453
C3 H4 O7 S2	33558	37541	37912	33179	37611	35746	36768	38690	37443	38096	40862	38169	40758	38643	36642	37305	38798	41605	38480	39423	38295	36100	37139	34270	34891	36198	40867	37081	33699	37324	40347	32390	35204	36907	34539	35336	41150	36266	36209	31016	36045	39549	34830	38674	39564	38960	39089	37334	37622	41365	18615	18164	37002	34988	38953	41908	39384	35359	73621	78024	61240	64384	57822	59393	61159	62273	64623	66958	69373	68617	71410	78504	54501	53476	56261	56865	57030	65489	69026	76495	67518	60444	64522	64852	68839	61334	46268	52255	53502	51327	52608	49215	36222	38720	59593	57165	54607	53172	63348	58261	57786	56400	64802	63868	57568	56016	61889	61785	60501	62587	58387	57579	61967	54153	50355	46887	44437	48572	34007	36930	48578	48085	50249	48869	46718	46878	45264	48987	48570	48376	46038	49741	45195	49455	52135	49943	52654	49867	49414	51233	50461	51096	53171	54715	52315	50761	44008	48771	50955	51853	49785	47283	54137	54093	35018	39444	55896	50462	35687	36273	50405	48061	54155	53176	25251	26618	27675	27061	27482	21075	31030	26392	28906	30463	27936	22887	32190	28603	27571	32235	26116	26987	30460	27168	22095	21723	28039	29695	25794	24874	20639	21436	31429	29578	32254	30312	26347	25134	27060	28189	23191	26375	29000	27293	29555	28644	21830	22163	27704	27043
601.7142@0.85780877	38964	40140	41690	48394	45493	41570	46504	40832	44584	44808	38970	44626	42971	38202	34759	34148	44662	40418	40208	36652	35646	36363	41941	35324	32941	42843	38590	33368	39298	39096	51670	48985	43719	50163	45702	52335	46365	46234	45803	41038	47347	46198	40961	39880	40955	39969	42316	44907	50656	42525	23250	26045	43896	41494	52219	51404	47819	56418	44039	41547	39273	45387	56714	50824	37462	48479	50838	54279	40321	41486	54081	54168	28897	31820	44423	47113	44474	51494	46907	47003	45195	47829	46813	44857	39034	33712	49952	48903	45578	43205	48418	41520	28710	27084	47866	48067	45489	44256	41511	40575	45737	44832	37765	44380	45092	42930	50059	44450	35543	37120	41408	45910	45751	50197	20669	23411	24483	25510	17200	13599	21839	22737	23391	26335	23178	20534	23468	22581	22756	20470	22434	22955	21279	19256	21948	21473	24195	25496	22995	23309	24416	24361	24132	19795	28512	30106	25228	22359	30494	30753	24968	24340	27434	23969	11252	11497	25124	24787	13522	14797	23773	19771	23867	29068	9967	9434	11034	11907	8928	10223	21666	19938	10072	9202	12151	13021	19757	17758	13941	11085	12042	12695	14159	12711	11549	9238	7340	9699	13707	14092	8931	8286	10309	8797	12679	12379	7543	8253	12373	11696	11116	10538	24412	23756	10912	9062	7958	8534	9440	9232
361.9172@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22621	26752	1	1	1	1	1	1	43294	42962	1	1	1	1	1	1	1	1	29006	27255	19352	18259	1	1	52653	53246	35985	34908	31585	34617	7482	13163	40534	41117	26561	27834	1	1	23467	20521	1	6926	11133	1	1	1	1	1	1	1	12274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.1298@11.838996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85701	52151	25081	83495	1	86249	64711	22861	1	1	1	1	76467	71744	1	1	26407	39239	52576	1	42942	34728	20069	58433	47644	66456	41029	48033	34486	1	23859	34538	44056	16197	36050	20520	57483	1	33741	14381	29556	1	35872	30208	1	46314	37683	45717	40885	36574	61895	1	50676	21959	38131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
405.7816@0.8647136	27617	33595	26561	32871	34609	37125	29380	26922	37262	30850	34708	34938	35790	35572	26637	26016	31553	32295	34990	30320	33310	35735	25475	20826	31130	34174	32705	30703	30232	28580	53276	53024	56862	62333	60560	55899	61248	54975	50503	42504	58454	58776	53024	49052	48011	47306	45953	47467	57600	56558	23500	22969	44549	42342	66179	65754	53057	57308	31320	27562	30972	30216	44965	35185	31636	36326	37041	36866	39974	34382	47242	47414	21847	15412	28847	31628	37880	46199	33260	38182	40195	38632	36897	34924	34907	30705	46838	43470	33204	37039	41693	39354	21270	17485	32810	37676	34203	29033	26790	23563	31640	26121	22905	21915	28494	25271	32492	35738	25859	26207	29970	27854	27978	32713	25763	27628	31363	31024	18506	20560	26014	33486	31649	31654	29784	27409	27267	27910	27404	25254	31074	32779	26191	27876	26393	30635	33256	34207	30024	23107	27930	31673	25207	25475	32424	32726	28174	28780	33869	32895	27496	30038	28418	32054	14783	15663	32481	31729	17847	17103	26877	26446	33657	33997	12054	9980	10239	13124	10493	12399	25680	24888	9290	10028	13649	13740	22162	22809	14907	12814	12590	12465	13972	14134	11776	12831	9043	11064	12517	15023	9700	11747	14406	10839	12839	15971	11001	10702	14643	13654	13141	11943	25562	26690	12337	13976	11144	10311	14101	9680
415.8155@0.860737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38829	35268	34794	38767	30383	37253	40548	44810	44971	50686	51955	46491	42763	45009	23067	20750	40410	45976	45571	55382	41939	38353	32524	27099	30854	33405	45238	45210	36398	36176	31376	29291	30559	32020	19479	17807	31014	26364	29216	26452	40744	35968	25699	26499	31987	26427	34611	33588	44508	48997	26524	28988	35719	29448	35002	35735	43124	45540	44970	49683	33203	29202	49454	47650	50170	48719	49415	49633	50170	43125	43727	47226	49545	43386	47388	45681	45833	42998	47663	50043	45829	43738	50314	51600	47514	45073	54547	53405	49443	54655	59180	59883	53346	54510	52174	45391	27141	24115	57739	56793	30576	28900	46613	47594	57496	56903	20998	20119	23597	22592	21913	18583	35990	38799	18653	17228	21038	23251	36276	32976	25487	24462	20741	21193	26557	24562	18241	17402	15805	20974	21995	21400	16906	18633	20187	19351	23359	22468	20399	15617	23891	26442	20109	23001	41261	40886	24011	19787	14835	18065	22903	19425
919.8053@0.8424915	39466	32553	38063	28557	38867	40683	41284	35457	40321	35181	39442	37726	40808	38607	32058	31763	37731	36495	31246	36978	40460	36876	39355	38355	36324	38302	35289	34350	36222	38837	48581	44477	40319	38108	41767	44406	37563	45267	45935	42593	44793	44813	46287	39503	41035	42409	41100	44562	40074	41013	37034	33703	45803	45977	45570	42394	44165	47450	29565	25759	24891	28737	26541	28908	29711	25564	27715	27471	25032	24362	22865	25526	38153	38236	34648	34925	26334	12393	11125	14423	18191	22924	21496	23069	19263	20922	20774	21855	22316	17797	24885	23422	30532	29910	27021	30642	35095	37923	43124	39432	33522	31308	43197	46195	36210	37123	31322	30913	41263	38006	41755	37145	55450	43554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
140.0463@3.4102402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42003	1	18856	22387	25161	24116	34909	16351	1	1	30576	45351	1	1	13058	68074	213386	77861	29780	23599	47480	31451	58653	55138	32974	50231	34461	60954	35290	33975	29111	37428	42405	48713	30222	28440	39815	49751	42468	81295	67535	44275	107594	44481	72613	37685	28979	74227	27340	40891	51378	134032	77278	80392	71470	54033	1	1	27531	1	1	40574	1	1	1	1	15502	38993	1	1	47712	1	1	15266	1	1	1	1	1	28865	1	30427	16428	19552	1	1	1	1	1	1	1	1	1	41766	1	1	35982	37953	1	1	51557	19421	1	13884	35057	1	1	1	1	1	1	1	58043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18888	42954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56744	54438	93325	73767	57995	74173	72408	59897	59140	60768	67623	52644	38301	63149	30334	34596	33392	14456	32330	12191	17886	23116	1	1	16738	27063	65906	25081	24601	24908	22373	37937	24928	27555	37271	32687	16752	30810	21804	27706	25893	29749	17778	86030	30559	30957	1	24018	28974	33624	26089	25077	33543	18052	1	25902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzyl 2-methyl-3-oxobutanoate nullnullnull 7.213997 :1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7895	18057	14639	86578	35168	32731	10239	10076	15581	27994	15714	9249	17456	12380	24288	11724	10541	14091	13886	18304	31320	22556	91894	58926	43091	51624	28755	16135	20714	29633	49072	26435	16645	42612	55656	15245	80040	22254	44801	46767	21621	17722	57273	39330	14495	10035	38864	19239	10309	15672	31499	59516	64063	24299	228770	39203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
920.7163@13.381115	49427	62917	25836	1	1	27106	1	1	1	1	1	1	1	1	1	1	15051	1	1	1	41914	1	1	1	1	1	1	1	1	26043	1	1	26038	24644	1	21269	1	1	1	1	1	1	18255	1	107405	1	1	58312	1	1	24281	13340	1	1	15204	29100	45432	18816	1	1	1	1	35366	1	1	1	1	1	1	1	9820	1	9345	12133	8361	8082	8184	7661	22206	18376	1	20772	1	33104	1	10823	1	10011	8790	10983	19869	50307	8906	20141	30904	10497	22601	1	13160	25245	32736	32966	13341	44180	24868	32055	10626	16147	23276	1	8396	12451	75705	15472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19641	15496	24708	24068	25178	29389	18887	16874	20290	19330	22750	15322	26849	29363	44778	46126	35656	40852	23098	1	1	10538	21514	20827	18486	17792	10988	18554	31417	34113	27468	23698	21032	26481	33549	32250	28760	28358	35478	30825	44120	48232	32243	39945	43982	48211	39607	43253	33537	29191	41561	44179	38039	41422	60226	44196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H N O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36836	33041	42581	38362	33446	32950	36377	35421	36459	34656	25361	20484	33750	34938	31267	29473	35183	32157	36137	30252	33092	32127	30358	31869	36387	35192	21246	20402	28597	30691	31553	29748	28091	31848	21332	23693	33467	33801	35854	39440	40787	40400	38263	40419	41583	44104	40143	42745	29685	24934	39139	41086	43894	40071	49762	46108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H11 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37929	38559	1	1	10773	10902	1	1	17875	15342	1	1	1	1	1	1	1	1	19559	18688	1	1	1	1	46343	49497	28014	28255	20062	22120	1	1	49685	45908	12308	12010	1	1	35334	34515	1	1	1	1	13258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28987	25335	53579	49701	78722	86081	80671	83339	291470	282299	101182	97406	372892	365530	82100	82852	853434	835295	67349	61003	335846	340980	81377	78837	390221	379075	348377	345915	177598	176880	77486	71886	80297	78437	58640	58796	507377	506500	293698	301329	294595	296756	705286	683601	145785	144841
C11 H2 Cl3 O S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32629	41776	30776	29649	51694	59040	29895	37427	26570	34315	22693	25547	59681	51126	27477	24876	25661	28790	34231	26979	33095	37298	45922	49510	51181	45128	25957	19139	42184	46405	48009	41004	46050	46732	25360	32317	48767	53513	55894	48151	35587	28264	53018	47701	37302	41230	31423	39407	22932	25648	35533	37709	36181	29068	48207	47901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
p-Aminobenzamidine nullnullnull 14.043008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15046	20985	18251	15767	21224	23563	38902	17866	19956	17581	29214	25372	28787	24453	29803	31788	13332	12531	1	12611	22535	15859	48469	1	22745	10304	22542	19623	1	21018	18853	17027	14005	15595	1	16142	9716	20595	17063	37860	15958	16682	13277	19302	34901	24063	22700	12948	31514	23617	16047	10111	1	28421	30356	15551	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 13.927001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67014	1	1	12732	1	1	1	82359	34832	7461	1	24517	72121	38090	24614	60595	97037	170782	125984	73376	38192	63278	23256	1	11478	30356	35471	14108	1	20552	28813	25354	1	145454	26076	157680	64798	28328	61772	57183	61207	18519	48468	38420	28619	55323	40507	37694	85651	30386	14046	10551	43273	11115	88095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
85.0164@8.071483	10680	10192	1	1	1	1	1	1	1	10210	1	1	1	1	1	1	7979	1	1	1	1	1	1	1	1	1	14589	15963	1	1	13958	1	1	8413	16307	16437	13389	17486	14753	13877	17531	15646	1	9581	13600	19680	15559	14632	1	1	1	1	18324	18403	1	1	8275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9318	9288	1	1	13206	10863	11777	17644	1	1	1	1	1	1	1	29439	9400	13680	1	1	1	1	12082	9734	19881	15034	11254	13729	28908	31900	13287	13472	1	1	1	1	19127	10727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
462.8243@0.8696849	20135	18902	14254	14769	18584	14895	12427	15832	16132	17647	20285	15025	20053	22641	13544	9970	21363	21093	18376	15576	16722	16168	11933	8274	18212	14833	14366	18051	12770	15002	17598	13460	20683	22368	18457	16923	22524	19048	18218	16329	21630	18166	13416	13539	7814	8414	12684	15672	13353	12955	1	1	11856	12796	18205	21842	22896	24287	28248	29046	20963	26209	31925	30474	22102	19003	24986	20845	19791	19355	35114	39118	16593	13784	23166	20167	21395	25123	17841	20793	17627	21889	28071	24371	15940	15572	34479	34723	36883	31263	32458	33365	14518	12741	30944	32145	26572	32526	21131	17587	22374	24498	23128	23938	23908	17207	17103	17258	20961	17713	22321	17736	20845	27122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.25	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32127	21814	270607	274911	551347	70459	181307	174439	274742	269020	232733	228384	122998	1053848	149721	147261	194033	194163	145074	139167	210995	204712	575732	507073	483775	467708	166314	162393	784762	858957	573881	591782	706356	735703	202342	212809	763391	758409	594902	588131	18898	230538	555059	549396	251491	274891	385205	354730	170065	167347	276206	279912	12691	228084	1	434754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
521.6135@0.8676676	25647	25566	32470	29690	36485	35762	28675	27570	29200	30986	38703	33119	33317	32447	32225	32810	25262	28056	29182	33300	33982	30550	24781	24935	33308	29370	31852	33746	28701	27014	24447	24885	25683	25417	24384	22984	26815	29610	30843	29998	26896	27561	23565	23200	20824	21601	29159	26800	20549	19098	14599	16586	30990	31674	22637	22420	29287	26634	21533	19264	28103	28381	13604	16652	29998	32449	33301	32702	31279	40612	13952	15561	19434	20897	36472	32911	29612	26497	17973	21401	11879	12794	14588	16633	35938	33075	18209	13891	12749	16967	16082	12678	15886	17212	13573	19042	15728	15741	31740	32235	16384	18251	21018	20486	27198	24649	42458	39990	25987	22249	29464	23105	23199	25481	23508	24992	26155	23646	19523	18070	26944	26028	25197	23191	24917	26471	24821	24826	25404	27156	23282	23614	26037	27300	26858	23724	28487	23356	24425	26485	29455	30707	25355	25113	24112	23198	24528	26076	25536	27362	27808	27042	23693	28609	17818	16625	21858	22363	17703	17599	26708	26896	24214	23942	14133	15578	17746	17503	14381	15141	21729	21427	19357	18003	20142	17718	29587	30106	18615	16782	18560	17974	18256	16496	22597	19725	16187	17139	20199	19402	20399	18161	20660	18895	18626	16887	15333	15532	18694	18128	23261	19827	24578	26722	18296	21281	20107	20225	18412	17390
368.0095@0.9020003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10722	8972	1	1	28394	28995	1	1	1	1	1	1	32569	29515	1	1	1	1	1	7148	8517	1	20871	19598	16630	19033	1	1	44787	41179	35949	33653	27207	24112	1	1	34754	29928	22598	21013	1	1	23761	23328	1	10889	8888	9109	1	7084	1	9277	1	1	10263	11336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
473.0615@1.1809999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15013	15466	1	1	1	1	1	1	25247	25053	1	1	1	1	1	1	1	1	16994	17066	8316	7983	1	1	42188	40969	29397	28328	24805	26835	1	1	31582	30765	12983	12551	1	1	13959	12563	1	1	1	1	1	1	1	1	1	1	1	6076	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.0728@3.3379989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11054	1	1	1	1	15996	1	20479	17592	12853	16651	22936	22995	22935	22074	23063	19338	20584	17386	12992	12458	13598	15457	15800	16831	10239	13458	27080	30424	30438	35775	32329	30360	35466	34967	32253	33108	31560	30544	33608	30281	39781	36945	33227	33477	46043	40820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
941.7821@0.8422842	61637	60886	69977	67635	61097	58975	66538	67343	67189	70772	66084	60156	59151	62178	63452	63401	64564	63221	58899	63120	57259	58134	69213	65939	57701	64709	64893	69821	66439	69478	45659	49180	41961	46790	49278	49252	49155	42319	52832	42823	47730	44646	42462	41950	44415	41057	38855	41146	42196	45236	41753	44706	49591	57022	47127	53138	45533	48621	30422	34307	34022	34976	42350	45747	27395	30447	26184	36677	26606	22970	36207	35631	30256	36835	33541	31079	29921	21968	16006	13000	18872	25582	29556	34444	21968	21955	32941	38736	42536	42817	50133	52844	54747	60156	56921	63764	63907	58938	34597	40901	63203	61561	44240	52491	39115	51730	19329	28447	37488	40787	33547	36178	61275	48318	7496	7353	7240	6088	7057	7383	1	11148	5960	1	1	7213	1	8530	7278	5972	7039	7542	6723	8097	8349	1	6711	7009	8403	8387	1	1	6510	8473	1	9142	7032	1	1	7099	6990	8536	7697	9071	1	8294	7551	5842	9346	11763	7830	1	1	1	1	1	6010	6719	1	1	7812	6151	6538	7269	6532	8228	9854	10226	6372	6934	6648	8382	1	5917	7900	6757	8505	9889	7083	6898	7375	8208	7938	10651	6964	5886	8879	10291	7665	7323	6655	8191	6697	1	8487	7120	9843	10632	8585	8212
430.1329@1.3139997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24286	21682	1	1	15723	15639	13593	13722	1	1	1	1	28560	29347	1	1	1	1	28064	23792	1	1	19139	18274	34757	37373	1	1	38941	42149	40534	39872	28615	24957	1	1	1	1	53333	55371	1	1	22450	20602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1461@9.487258	194934	188713	176028	178339	136241	179363	165823	172281	161541	159309	157262	179299	159460	175321	157144	176765	178228	167314	172605	154103	180393	166072	184259	177911	165292	168529	160089	155710	162798	172161	186750	168911	162957	162253	142625	151719	163519	163344	172354	169050	166224	176025	167364	166757	173649	180027	163190	185840	174258	179039	185514	179567	202121	210410	185277	176073	184214	189535	111610	119785	119813	132638	118339	115826	109459	112336	127720	120075	123654	116191	116607	112157	1	1	1	1	1	1	1	1	20074	17801	21295	29463	17088	14308	39676	46694	34207	40682	24871	21545	35028	42532	94401	73340	46061	47923	67659	64248	46090	51761	51346	42211	53228	50826	52027	51029	59685	56011	47790	49824	1995698	83557	74987	78079	70938	81861	75253	73086	78577	76513	74288	71684	80139	84399	78547	80586	70484	77829	73199	78635	76939	76157	80607	77913	81725	79962	76217	82771	71780	76156	74681	76243	66806	72369	80429	81234	74504	71495	68746	81278	72462	71200	77360	86638	75699	79356	80215	77472	77558	79599	75888	74134	112862	110521	113430	115149	106909	114381	118981	113032	116659	111047	145295	148077	103438	113958	235499	236506	247567	255449	246370	243851	254939	245962	245057	259881	252509	259980	259871	250808	252519	239306	250060	237218	255109	263424	237637	255825	285962	249740	246179	248822	242163	258265	259474	285382	263165	230228
C20 H30 N11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13018	11901	12711	10532	11137	10779	11729	11260	9269	9431	9860	12387	11357	10764	10710	10596	9605	10414	9453	10264	9094	14424	12842	13599	13000	14628	13077	12598	12564	10876	12252	12218	13313	12430	13255	12303	11323	13312	11023	10200	254072	13472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12767	11777	10657	11175	12230	10746	12364	12241	11923	12706	11568	13279	11789	13056	1	1	7931	1	1	1	1	1	7805	1	1	1	7164	8064	1	7304	1	1	7332	1	1	1	1	1	1	7090	1	1	1	1	7123	7584
565.3389@12.669747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14255	14381	51084	1	21080	18461	1	1	52895	1	66403	1	18757	1	1	1	1	1	128162	79778	910088	240567	91258	27661	30600	1	14188	1	1	1	33781	1	1	1	112670	15705	69736	16196	45666	1	121714	73896	1	1	463573	30800	1	1	149144	46632	1	1	78882	13540	52316	104027	86195	85561	123141	122624	91283	96943	24494	22225	133312	125250	133869	126239	154829	164819	62654	73464	204113	215261	53896	54546	58914	52706	132547	136047	220458	248456	182894	169420	34995	27631	104318	118305	21327	1	83437	102822	71931	66604	433615	358311	29831	18636	190939	196159	199259	199741	34405	26290	73326	88033	67529	61727	75343	44380	29419	1	58911	16712	309999	251761	29278	1	19328	16363	62787	38126	32563	23815	46522	1	53528	18698	41555	32627	24758	22903	18480	1	36365	44377	54710	1	28731	27259	251199	22081	1	1	59560	23793	77697	153900	49042	17604
561.5994@0.8657828	33432	36794	43026	44757	41119	41890	41024	40262	38880	41434	45766	42433	39979	41892	32662	29274	39977	38541	36868	38861	41309	38694	38272	36164	44745	40277	41724	36213	39131	40357	86704	79541	79222	82245	89792	84442	84566	86562	78401	75831	74828	78828	82463	84908	68329	75874	75414	73418	94235	95162	43644	40343	69240	72531	105573	116410	66736	69413	35533	35926	40061	37588	29165	30451	45157	43446	47513	48694	51181	51246	29531	26785	28686	31129	55787	52819	46757	34878	29680	33231	23292	22283	31207	27247	49169	44761	26779	26969	27878	29010	31270	31853	29841	27204	31790	30831	38917	34441	44209	46165	36795	33527	39845	39587	41102	38835	61770	66072	34043	44506	46560	41217	37048	44911	53514	52444	63040	64187	29998	27227	57234	56512	76201	75556	51967	53519	53411	52135	47439	48791	54840	51518	47583	48350	47602	49417	54686	54878	53577	50769	48722	49435	51333	53123	64302	64895	58791	57488	79832	77204	56806	57947	67433	66951	22482	24060	75790	79025	21814	21172	50127	49807	72697	74131	27659	26608	32925	32186	22830	23479	68552	72748	19142	16081	32467	33340	53509	54940	36158	34389	28652	27652	38678	38004	21917	21690	13240	14168	34667	34956	19729	19689	18092	17928	34923	35967	16200	16457	34538	34195	22384	20668	82321	86155	23341	22722	16782	17618	22503	20392
172.1104@7.9834123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13417	41891	9595	36391	1	39178	36942	24431	25989	52267	1	29055	1	1	1	1	1	53179	44898	44475	1	1	1	1	1	1	32271	45341	30157	9590	13863	15366	11905	23494	1	1	47763	1	1	1	1	1	1	1	28955	1	1	1	1	1	1	1	1	1	1	27305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45167	1	28314	1	28752	1	1	1	1	1	1	1	9006	1	1	34132	1	1	1	1	1	25889	1	56428	1	17522	34356	1	25736	1	1	1	44937	38429	1	1	61519	1	33715	24772	1	58944	1	63410	1	29289	1	19435	1	56197	1	1	1	1	1	74740	1	1	1	39812
294.9662@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16063	16240	22618	23156	20803	22495	15665	13555	20895	23915	53025	53290	23880	24400	10284	9563	19743	21236	10651	13529	13383	12939	27753	27891	30497	25377	51333	50116	11653	11761	13608	11710	20392	20858	12672	11318	19617	19272	25031	24335	10192	12086	23103	20731	13174	12438	18048	17755	37621	35079	16420	17723	20162	14983	18296	18369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H2 O8 S	12833	9288	7931	11182	10963	9078	1	6571	13975	10296	8703	7969	9001	9306	1	1	18151	12318	10402	8703	7804	9558	1	1	8759	9083	7177	1	1	1	28596	31228	32148	29180	29241	27674	29806	30039	15438	16521	26158	25008	23338	27213	8012	9454	16527	15271	27076	28194	13630	14543	17095	15663	43163	44707	32425	33537	25049	25315	15672	17683	20471	19807	19711	19452	26601	27205	18501	15907	19296	21597	20481	16157	35600	36475	34917	24645	9767	11782	1	1	15958	17232	15157	16843	20046	18717	16570	12529	24241	22349	11984	9761	24943	25910	24231	20617	29251	24031	21440	22095	23767	20404	26746	25868	40470	40059	19775	16822	27035	29361	30667	34036	27543	27535	36035	37349	32783	32480	43333	42724	34851	37131	13959	31983	26480	27542	20127	19514	32105	32221	21551	20119	21827	22516	36977	36829	27037	26287	33775	35348	21645	21524	39959	36508	22938	26021	41207	39273	33334	31988	25778	30655	6940	1	28836	28044	30001	28362	12901	17879	20508	20096	1	7881	8424	7628	7697	8826	15149	14205	9110	9227	9800	11167	8709	8379	6384	7344	8034	7216	6717	7237	1	1	8222	9378	9457	10085	1	1	14336	12907	1	6892	9428	9751	6622	8708	9384	8157	10020	8516	1	1	1	1	1	1
891.9442@0.8899999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28131	29010	1	1	6845	1	1	1	40737	39682	1	1	1	1	1	1	1	1	25225	26761	18039	19334	1	1	48461	46833	38261	41413	30659	31323	1	1	42241	39746	29370	27548	1	1	21990	21753	7627	7034	1	1	1	1	1	1	1	1	7210	7271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 S3 nullnullnull 0.7870002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80407	37921	53450	63079	46441	56252	51289	34957	64671	88862	75312	99625	86038	88515	13022	22491	22584	87371	18384	1	1	1	1	1	1	1	1	95455	1	1	1	1	1	1	508391	112627	91630	254489	91058	125559	171220	149804	59736	139689	68239	57147	100499	84794	128947	94358	160862	100184	9328	56653	20001	45876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
264.1368@9.378999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51676	49764	35600	60917	1	1	1	1	37622	33440	33304	35663	29589	33301	1	1	1	1	42936	43892	183215	126284	68066	77223	29022	1	42715	1	45464	50143	42528	40127	58191	70197	63683	51211	62061	66010	22824	37782	55552	82534	47005	45962	50163	49639	1	1	87307	87411	41949	38557	45306	47212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
779.6733@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42974	48119	36223	32873	37944	40301	49654	46912	42141	45750	36289	36735	32917	32312	30157	25402	39883	53484	43521	39488	30806	40904	31416	24435	31627	36998	40379	36860	29297	30005	31029	28211	37524	30763	20044	22545	29284	31126	38766	29335	40649	42199	34959	31045	38189	39801	32050	40467	49805	46887	32406	30347	39088	44349	46639	46342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
653.7099@0.85815275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38076	29512	42369	40432	58691	62346	42016	38535	34682	36319	28342	32347	51741	55321	30872	25502	36345	37229	32949	38116	45448	40793	49797	52589	52470	58061	23723	30217	51596	48001	40482	46630	49389	47293	31481	34096	48659	44219	44775	51866	37693	33941	51239	44984	36010	45729	44297	46615	34546	32163	39982	37691	39853	44750	52304	48855	9159	7539	8215	12496	14287	12122	11583	9868	10375	1	11022	13295	10818	10832	12069	14155	10689	8717	9271	12036	10680	9989	8388	9419	14245	10820	9979	11633	11105	13773	12814	9275	12569	8898	10380	1	13880	11025	12065	9802	10667	10080	1	8397	13152	17100	9739	14215	10057	1	1	7145	6575	7199	1	1	1	1	8745	11016	1	1	7364	9069	1	7802	1	6975	1	7560	11700	12127	12575	12058	7517	8596	10350	10063	12626	11624	1	1	8148	11274	8091	6753	11111	10287	6921	7851	9978	10678	11866	12605	10957	9451
293.8327@0.86775964	95162	93268	94156	98345	117088	113111	87885	83576	90225	93471	105266	99133	106235	105931	100390	95776	95036	92540	94423	96143	112705	102826	75594	78007	93861	101134	102768	105868	87401	90646	135146	134875	129333	125688	127186	120618	130549	134027	125610	124428	118997	125127	133090	131269	148938	146380	133390	142659	154136	166982	74108	75101	123336	125389	153553	154513	112449	113516	49975	53829	52545	54461	36447	34931	62006	61846	63038	62232	62927	56631	20212	21841	38004	39789	60925	56995	53830	60836	60183	56031	34857	23236	36293	37003	58024	57522	12188	6015	9905	12745	16717	19568	29064	27017	16553	23940	30919	30894	54841	56460	36464	34377	47285	52716	49435	48860	61564	58516	49542	50950	50882	52444	55092	53149	63382	65984	68152	68441	44914	45259	67191	63244	69552	71443	69993	68220	65334	64330	66335	65545	64382	65873	69616	67877	69984	70249	69605	65877	69757	67000	66535	66053	70453	70264	67386	68690	70600	69254	74594	73264	68688	68779	66643	67984	43050	40312	77548	76524	44323	44868	69200	67420	71138	71557	36682	34821	42233	41660	38504	36965	49941	49718	38056	38646	41010	41933	54421	54205	48387	48375	38726	35320	46512	46027	29374	33643	33527	34597	37813	39857	32183	34437	41324	37306	45389	46002	35473	31977	42856	45895	35966	32294	58494	56665	37777	38704	29758	31701	39572	35387
701.9352@0.8919999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9864	11789	9977	10061	34342	33443	1	1	1	6020	1	1	48254	50993	1	6497	1	1	1	1	6958	8651	33129	35187	24586	29421	1	1	51350	47133	39724	47926	45249	41366	7066	11476	49641	51092	44015	40574	1	5993	31426	33582	14769	13673	10590	11683	1	1	10762	10194	7424	8892	14712	12488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
AG-494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10067	8629	11500	10301	31670	31276	1	6721	8673	9729	11198	10473	52277	52569	7401	6744	7647	7618	6322	1	10506	10834	41532	42449	30327	28405	13224	12672	51893	56143	40424	38027	45395	44273	13487	15000	43732	47568	36926	40612	7977	9974	25855	25972	12600	12390	12305	14553	7157	8405	12315	12012	8580	11632	14573	13335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-Octenedioic acid	27338	43046	33741	34284	27151	29793	27933	44811	37118	26638	28727	28794	30500	26399	42108	34281	41451	31122	37252	28001	38983	31893	38182	32246	26269	32840	32171	25909	32123	29737	32675	34450	29670	22708	30048	29997	30844	28650	32621	33145	28138	33850	27638	29904	28298	37028	27680	24152	29133	46796	21068	22230	44469	42475	32137	28811	35398	34937	16983	19718	35704	42135	25724	26908	31065	22079	31592	31333	30989	26086	21188	24897	21058	22834	27436	18987	30696	24152	30060	23686	38477	30233	27125	27102	29559	28989	44217	32354	37208	35759	21583	15434	13940	26600	40388	41975	27489	31491	38641	34808	20204	28993	23894	19826	27105	21257	21192	15242	32449	32784	27210	29490	39222	43239	30724	24178	18320	17108	30665	31144	24211	21578	34492	22225	23839	32268	21890	24654	27789	24789	27570	37938	23121	36371	25723	26634	56483	54055	29290	28120	50756	54810	43722	36744	38566	39151	42828	49148	40247	44565	27724	29524	37724	48595	24783	33381	33967	22081	19467	27304	49117	29694	27553	32847	20940	18361	18141	16771	21038	19995	14988	15833	14747	14357	21021	23771	18436	23985	22073	21345	19253	20777	18823	21190	36073	28956	23288	30244	19063	19490	22427	22726	18901	27077	22222	26199	27139	21433	25762	17985	27254	19027	25068	23999	21660	24714	20362	24766	22224	21202
543.7605@0.8588105	20013	20281	21240	27609	21929	21116	23461	21107	27491	30400	25710	21492	20740	25647	17638	18005	23163	24685	18460	23128	24075	23477	22704	20688	21439	26221	20935	17494	20643	19603	44212	41271	47627	43968	48475	44715	44818	46600	33910	36596	44795	45299	39154	39360	39958	36390	34339	36506	45009	39637	24168	23692	34625	39457	51750	45751	43819	43704	21446	19396	21280	21529	18553	19387	28527	23589	26204	25368	23480	24915	15651	19733	12858	10705	30748	27577	28578	41045	23543	25973	15041	15234	16662	16786	25444	26427	21380	18236	16930	14627	13818	15683	9244	8436	14320	15929	15758	16236	23968	22743	14509	17357	15621	12871	18771	19299	32298	28801	18131	19595	21403	20527	19289	21028	22496	21055	25405	24722	15983	15349	24209	27080	26114	26575	25266	24408	26865	24337	22970	25212	26297	26499	21042	20275	26518	23238	30005	26036	23629	22886	27254	28032	25581	23419	31845	32530	26972	23230	32413	30907	27956	27827	28477	29669	12324	12562	27779	29431	13471	14848	22263	24276	30967	28150	9118	10197	11480	10077	8667	11450	21978	21319	9034	8150	13467	11552	19709	16811	11579	13366	10246	11098	11896	13204	10276	9922	8886	8837	13545	14305	9134	12489	11493	12050	11718	11667	8684	11290	13464	12347	11025	10546	25075	24188	11371	10601	7888	9691	9748	7201
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C26 H9 N O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28410	29395	19771	21723	26131	27901	27280	27701	27671	29488	19959	18590	24455	22310	16579	16426	34327	31937	38503	32070	21275	20792	1	9090	20516	19355	20152	17716	20639	18969	17438	18900	19189	19845	7233	8379	20985	22766	26624	26334	26964	25751	21895	20403	19825	19725	24804	24024	30011	30660	13694	10995	25361	25566	33336	35324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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669.6925@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35562	47940	29504	28314	57278	54291	47669	39791	40095	41090	37717	39580	60545	52820	18558	30466	33790	42010	41194	37130	37928	37706	54234	43689	45317	46925	33430	23970	69661	47069	53655	44852	59136	49146	28697	24495	49939	60293	44677	47461	29567	35707	35705	39214	31441	48286	38767	37883	45165	43936	26670	29565	35376	36738	41251	39430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Tetrahydrofolic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36322	37414	41731	36620	22415	25793	25979	25114	28754	28740	23009	22499	19281	17924	10814	10934	17284	19241	16041	15637	20418	22771	9153	12215	12595	13449	17279	16172	14557	17017	17390	18098	17585	19039	9285	10203	15759	18402	14930	15205	23139	19215	9720	10561	10107	11298	9961	10598	13505	12289	10631	9722	11924	10790	35100	12067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H28 O3 S nullnullnull 10.502494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	133864	145219	135934	124062	102485	127297	124218	104488	127151	129061	145148	138665	137808	134631	198086	199218	74581	62098	56106	57595	81874	79021	96631	65795	131425	115088	78364	62070	43796	41687	54019	44619	62531	59544	58927	60641	62189	74014	85359	89586	82427	73004	59606	54411	67097	72451	67808	67407	95710	66100	91846	101394	53905	76095	1310459	96975	91800	99484	124242	110372	126844	126186	80319	82259	104357	96801	84945	90914	100509	92012	107901	111412	89374	89106	95782	107005	128414	75118	99503	103484	109179	93812	88384	102361	92939	105145	116212	105605	142179	149939	112395	96028	92777	129026	114162	76294	122234	118949	204355	204676	100898	106935	123760	106841	79643	81841	427343	276567	232664	272051	268033	263344	540526	409055	251045	399079	495317	239944	418997	231589	377802	250065	379831	475727	568755	477473	395781	503155	485295	257230	455712	253767	250877	359820	246436	347426	235057	363308	243459	370856	222669	223542	234236	262627	475044	275676	373026	446252	259177	247685	398980	395226
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C25 H4 N O24	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78115	42588	98224	97495	20788	19497	26464	46793	48193	69800	47455	25041	143555	92565	97788	101254	55813	9518	104723	73587	17234	158353	1	1	1	110668	123887	136670	113623	25668	20533	49304	17442	77286	19218	73332	27181	91998	61839	70228	61975	199771	77367	170978	46509	29407	1	106733	33554	35502	141805	176213	130228	137275	1	1	54364	25646	61699	237450	91626	19714	143788	24345	38423	80179	117098	49035	103992	111834	155512	158555	21494	75228	171988	43615	123344	102121	117612	30428	158025	165609	161561	198536	73207	40361	1	99120	108307	60016	1	1	52303	126850	54882	1	30879	157215	44898	1	28409	1	38348	21500	18114	1	302601	1	256463	139445	201129	99024	77918	154697	92983	23745	1	1	211061	185114	156868	93069	74203	48380	44889	37516	78171	89470	216588	52501	178886	63506	195969	267448	223967	20020	284480	204202	206942	196135	232840	58052	1	202804	206238	63235	71225	43532	1	1	1	195692
532.3809@13.582062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88051	1	46004	56473	1	1	1	1	1	1	1	1	1	1	30545	1	69770	1	78235	23629	39614	11147	67338	1	13223	27436	162952	1	46959	1	136288	39384	1	14042	152777	17012	49796	32250	1	63604	1	1	1	1	20962	64770	307256	20739	90090	1	1	1	1	23222	1	1	1	1	102469	1	1	92794	1	112781	1	1	85096	1	1	1	42105	1	72840	78540	1	1	1	82592	25701	85196	1	1	1	1	34832	31330	1	136850	103755	46493	1	53702	67136	1	206449	65070	163337	105045	114876	132308	108758	197219	189951	146137	118393	1	1	73219	1	156117	72887	103972	155673	94529	1	161097	1	146853	96688	1	148786	1	1	34416	1	1	1	188330	55869	163514	156163	209548
438.8181@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29137	32881	20376	20250	29040	33490	26564	26479	24216	20281	22521	17515	46033	52747	12635	14508	24663	24024	25963	25539	31578	20057	46314	39264	32947	31631	18394	21419	35420	47577	33641	35949	40865	33239	16769	17057	32681	29520	37199	35181	24789	22079	29793	36403	19572	27388	18851	26300	17348	21453	20284	19395	18847	22394	26215	25591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Endothal	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9327	7947	13137	11916	50444	42254	1	1	8366	7040	7650	10144	21896	22590	1	1	11656	14264	1	1	11565	11045	31652	29503	25929	24441	7872	9713	31283	33972	27730	31171	23092	24757	11555	11267	36367	37318	29901	28991	7846	9742	41361	44239	17326	19048	16591	20114	9880	11872	8105	11053	14343	12778	35935	23337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9060	7638	8122	1	1	1	1	1	7922	1	7978	9209	9702	11204	10359	9738	11150	11150	1	1	6860	1	17261	16931	8177	10552	8696	7147	17372	15295	7595	8347	12761	14272	8044	8450	1	1	1	1	1	1	12275	11967	7729	10971
1187.7313@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25135	22093	26111	26307	17212	18877	27761	25355	26312	29057	25889	23262	14245	15975	51269	50299	44263	42445	27707	12701	8556	11236	9298	9748	17455	19460	26212	32464	16821	18752	21822	24767	23004	22109	32691	41571	27380	23539	30368	40032	50140	44967	38387	37357	47841	51410	44898	48403	40607	39399	41544	42898	44349	43047	62985	51658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
251.1026@13.615998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34883	1	1	32516	33111	38160	1	19439	1	1	1	1	1	27829	36990	1	1	16740	43662	1	49577	16114	29360	1	1	19963	158481	60507	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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TG(17:1(9Z)/17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73950	1	14111	1	1	1	1	1	59182	19164	12908	14637	16234	14750	18941	46272	1	42223	1	20563	14086	49834	409877	16873	109371	18167	22849	21030	97464	192214	47309	9421	49884	24771	16843	95660	27652	77729	11253	454315	23678	19661	42883	85838	35064	24456	32007	56385	26020	22513	48958	214723	512479	298847	24820	56752	16620	54380	342912	15449	22850	479600	143953	8830	15613	16097	238141	97858	296507	105726	76934	20160	56656	216537	152416	40526	95728	51266	29940	44351	92573	122093	10199	55703	221525	22732	11096	12164	8861	36284	12883	11526	227799	42844	76330	55316	8742	245268	168985	63915	62240	1013896	119082	42856	114209	1	67991	17900	17301	51178	95462	1	44445	1	22951	25171	29189	30799	23847	19616	35784	25746	39144	22462	1	38238	35627	37894	13136	15426	60871	18943	120483	21899	19537	14412	25044	1	13699	27148	50694	1	19294	50177	81813	337145
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826.223@1.5599997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14726	1	1	1	1	1	1	1	1	1	1	1	39914	38953	1	1	47017	46771	1	1	1	1	1	1	13986	14388	39967	44051	1	1	7440	8603	1	1	1	1	1	1	26078	24102	10537	8299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H2 S	19854	18514	19146	17778	18856	20007	16315	17793	19428	18686	19660	21284	19373	16615	18146	14491	22687	18421	16363	14611	18716	19406	11189	15860	19926	21689	18169	17008	14865	15505	46054	46156	46073	39778	43690	43918	44444	44148	32394	29738	37464	39765	40156	44876	31112	27979	34949	34480	50565	53124	26989	30400	29772	31944	52947	58781	45174	45361	37975	38518	35054	35690	36878	33186	36393	36683	39040	39802	29797	30833	32424	31762	31872	28662	46419	48098	49956	46671	26107	32186	16831	14153	32410	40238	36715	34669	34616	29041	29083	31383	35457	35146	25872	26784	39663	39845	33889	39696	41459	40518	31895	37028	42031	37710	35685	37420	43805	42134	32460	34355	38762	38553	50032	43310	39522	36610	44920	44990	39970	38999	41525	41518	43389	44764	27162	37937	34980	40452	30535	34405	37781	43453	28070	36211	34846	33234	45012	45071	36252	40281	42001	42928	35124	30829	46248	46240	40671	39162	47453	42894	39248	36068	44576	41269	20549	19162	38697	42930	33154	34948	31945	31744	34839	35966	19073	16921	19476	18845	20100	20483	26397	26762	18835	19421	17657	21303	18202	20004	23092	22062	18233	18299	22610	17746	17645	14033	24536	21329	19952	18601	15252	17287	25918	28966	20582	20284	21350	16249	18775	20826	17525	16431	20195	23917	17036	15915	19245	18399	17163	21975
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C6 H4 N O2 S3 nullnullnull 1.1301621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	119578	123921	112687	140462	1	1	132000	131046	110021	1	129130	144591	1	1	261403	585227	141157	1	93257	82540	1	74688	41180	37838	44339	1	1	1	11058	1	73189	32233	28532	23849	731704	121764	26803	25679	90139	35896	54890	69980	1	1	74356	1	46962	59249	85394	1	1	62509	77271	179517	1	94503	87594	70498	39747	35949	31989	65871	1	32649	1	38659	30526	31664	53268	44991	35690	34360	48486	74343	1	38686	109853	108582	67608	125918	39842	38875	33646	36589	46234	49283	93246	1	1	57853	1	82116	43803	41878	63700	52962	89930	36103	1	1	48540	43047	37455	41501	67327	78165	72433	1	49889	221395	107059	116443	146037	115349	62116	59318	49564	46641	1	1	1	1	1	1	60857	1	113693	1	1	63202	1	1	68389	51856	114301	1	1	1	71406	74939	113583	1	36562	64903	1	1	1	1	57925	1	85166	51266
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764.5836@14.030657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	235824	203104	1	88566	81264	1	25370	1	42007	14594	46710	66173	23657	153986	25863	9818	103132	119990	49461	116202	1	1	166350	16567	47858	223089	8338	7651	42737	47415	63994	8250	108760	236464	232249	10880	50466	51403	98657	47838	73138	12708	1	219936	150650	48215	1	23739	26506	169860	27706	29765	26630	100540	43155	8304	7255	10987	8340	7739	29867	9732	7289	222476	10341	42171	33241	82584	86985	219335	9177	1	11825	107925	74763	91697	49081	28744	105395	8726	13389	235930	269271	1	1	1	9470	8446	122595	1	107464	146312	68574	240588	22465	8290	8254	204504	15187	1	19759	91438	23819	48602	12228	31187	20189	11649	41454	22470	136037	124534	777156	20774	180149	154519	87490	17427	10722	10748	19390	27830	286409	12117	32538	15175	12097	12212	13218	10748	14617	33787	42225	19251	16780	70181	443999	88174	8856	10753	154933	28205	164655	89350	10978	175374
153.055@8.200388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8974	8638	1	1	1	1	1	1	1	1	1	1	1	10361	1	1	1	1	11540	13436	18381	16712	13839	15888	10245	9457	1	1	1	1	1	1	1	1	10028	10348	16878	11933	11357	12120	12291	12221	8251	10239	13694	9623	1	1	15714	17557	9059	8194	13625	11165	7075	12200	14037	10801	20505	9471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9933	10083	18519	9628	1	1	1	1	1	1	1	1	1	1	1	1	1	10528	1	1	24352	36510	1	1	13936	13439	1	1	1	1	1	1	1	1	1	1	1	1	8536	1	1	1	13576	12682	1	1	1	1	1	1	1	1	11089	10900	1	1	1	1	1	1	1	1	1	7665	1	1	12063	1	1	1	1	1	1	1	1	1
C29 H57 N6 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29461	21448	37092	36254	100961	32231	41049	38358	13640	11640	89264	52060	161450	45569	24450	15562	24034	16473	16020	14887	130412	110911	1623923	516435	137005	57605	61292	48889	17319	1	19796	31208	77351	30728	1	11170	233555	38238	143489	34177	40214	19301	201196	104202	25111	22084	369877	45653	14172	15640	127340	66554	17866	21723	108154	29051	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Arginine	30751	33593	34367	31777	21164	21189	28001	26403	34501	33823	23026	19759	26304	24479	27267	27764	33528	33896	29016	25291	24845	26447	29129	28282	19820	24049	31051	28590	40174	43050	29887	32092	32820	32500	30778	31408	12088	16424	34376	31033	26756	23927	8514	10957	49460	54030	41680	38145	10471	8570	1	1	38623	34231	1	1	25815	24640	32373	34424	26322	26559	21302	20952	33550	34965	14988	11772	21329	18505	25601	22954	23394	22610	39873	38107	16151	16232	23352	23737	19869	19054	15728	16403	16889	17063	21640	19978	20078	24333	17474	20388	16618	18385	20450	19361	21111	21446	43397	42125	31063	30689	29941	29987	40296	42492	10881	10973	20632	21868	49567	46693	45343	41382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
100.0522@1.2060382	16515	12106	12463	11807	11368	10507	1	10990	11943	12319	1	9206	10144	1	10507	10059	8956	9859	10632	14012	11555	1	11083	13589	1	11375	12145	12023	11742	8691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15903	11593	1	1	1	1	1	1	1	1	1	1	15590	15353	1	1	9379	17265	28589	38350	1	1	1	1	1	1	46722	38106	1	1	1	8568	1	28317	12348	39583	15775	15515	14278	19668	17571	11924	25772	21267	26056	32150	22874	22278	1	9045	25821	21691	13672	15662	10496	1	22467	21172	13073	12670	18034	15327	1	1	10445	13398	9126	17590	16568	18483	11011	12593	1	7950	12558	13771	9729	13975	1	1	14556	11415	9523	1	11859	9095	13330	11847	15238	13599	15559	13999	1	1	16292	14365	13316	13224	14352	17147	1	1	8548	8813	1	1	1	1	13063	12951	10791	13963	1	1	13297	17968	11534	12309	1	10747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19147	22369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.8014@0.8439649	48672	47106	42896	44195	35978	38650	45664	44693	40884	46394	39513	37092	41684	38153	41815	37511	36737	45991	40970	40433	36501	36378	42428	44653	40277	34207	44472	34670	40893	42982	29641	25535	27655	28999	30390	28369	23389	28815	31593	22089	27441	26439	26621	23833	25418	22416	21936	27894	24755	22411	22203	24979	32144	28328	24284	29533	26353	24283	30778	35871	46014	43797	45121	41781	32240	34040	41145	32405	31488	26473	46557	40919	41382	40921	33523	49601	32203	24930	18212	23599	35020	32503	37821	43489	31787	24608	46996	41231	44227	52549	44408	54063	47821	51834	56874	53877	69188	49795	47976	46862	60570	57058	48421	54812	48580	58526	39021	39049	51174	44457	47663	51690	74984	52547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N2 O5 S2 nullnullnull 0.88164204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	869886	866430	669380	653767	357182	352055	1	1102648	1074903	1	959605	963796	196997	192644	1013384	995483	1165096	1148744	959010	738401	355921	368879	82138	77872	202657	214952	726736	746850	137446	136834	146695	150072	165973	172236	351480	408100	173780	174001	212604	213718	820767	778801	232502	226218	528200	488493	499795	456025	1135376	1134267	403211	398035	654556	632552	486527	511284	1651900	1662337	1797179	1808461	1451990	1472840	1582242	1572456	2261894	2228035	1677167	1687859	1560497	1567323	1322298	1292974	1641789	1641482	1263341	1258331	1357889	1350204	1542068	1568965	1380080	1373909	1600799	1610464	1558056	1512551	1827252	1783542	1789607	1724524	2035628	2043512	1658986	1604045	1846009	1852369	1076758	1060303	1959102	1963908	1066596	1077800	1258685	1230589	1595577	1625923	1178175	1116501	2235194	2227745	2200579	2250989	3188733	3174412	1460806	1529242	2593049	2618750	1903333	1927526	2576704	2512485	2256317	2226331	2765157	2725207	1660673	1647082	1125421	1153042	2653855	2647481	1472215	1456116	1490753	1455100	2409374	2398972	1567520	1566559	2475555	2500859	1830916	1827786	1861745	1890631	1846448	1825342	1304141	1323892	1496931	1506889
> limit nullnullnull 8.073884	34081	37600	14297	15688	1	1	24131	24088	38117	38674	15853	17949	27174	28056	30526	32072	22677	20841	26943	24125	24862	26629	26886	27420	19471	18802	57247	58469	33687	35390	51259	51708	43186	43547	58225	58958	55392	56185	60872	62874	58477	55757	40928	40368	60289	61712	54751	55998	26804	27505	14330	16684	60529	62199	13228	11643	36765	35003	13855	13695	16396	17515	14295	13440	23623	20200	9906	9156	1	1	23181	24462	28591	31455	11113	12140	34600	33198	29927	31543	8039	1	10417	12733	1	1	23235	21294	25725	25513	12748	12274	1	9076	25324	25389	24389	23152	32960	30192	43596	43355	32733	32261	14359	16257	1	1	22976	23586	19449	21232	11820	18697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18417	18224	12918	10412	1	1	1	1	11439	13658	1	1	1	1	19572	19582	15703	14749	1	1	1	1	25550	27062	15092	15916	1	1	16017	16710	1	1	1	1	14734	12831	10331	11687	12147	12282	1	1	8935	1	1	1	10173	9273	1	1	1	1	8467	8946	1	1	1	1	11291	10828	1	1
56.0259@1.1690003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64324	45291	1	1	1	1	1	1	66807	48753	1	1	20768	18453	1	1	1	8559	51203	9328	29958	18970	8973	1	65506	67344	42363	59271	55537	29467	1	1	39209	47132	18546	40055	1	1	19005	16653	1	1	1	1	1	1	1	1	1	1	21011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-vinyl acrylic acid nullnullnull 1.2149999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27191	22533	25796	25546	46536	44877	28230	26323	1	14017	25383	19828	31204	28376	30928	27122	30023	21244	23071	28373	38135	38233	22634	37739	45999	54605	23039	32816	46876	35006	46900	47768	33495	37801	22229	32508	47426	52975	49919	50686	29098	31322	66931	64575	31157	32243	29430	31228	22148	24481	38275	43693	27127	30459	55254	41228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Aspidinol nullnullnull 4.531276	40580	42264	9420	29508	9393	11179	11029	14078	26109	16091	31182	15100	35996	24857	28044	44185	21949	17352	22969	21012	13534	13547	9939	33641	1	1	7860	10286	1	16287	1	1	1	12667	1	1	11847	13637	11586	15243	15028	15842	1	1	1	16579	19052	12251	1	1	1	1	19984	24338	1	1	17735	15596	1	1	29066	30332	1	1	9727	1	1	1	21735	10613	23156	17559	13129	14797	1	12507	1	1	30495	33907	52207	57881	54622	59716	26046	15942	22865	26547	30047	31433	26622	16982	23734	17190	28133	36144	46820	46803	20340	25439	28632	48172	28288	27891	18839	37968	1	1	45337	63267	22804	17788	29652	25680	1	11301	1	1	1	18357	16788	12380	1	1	1	15054	1	28045	1	9641	1	1	13895	13342	19541	12984	15954	13253	1	1	10524	1	1	1	36071	14534	16092	17970	1	1	19516	21271	1	34229	16021	21333	12658	8479	1	19217	15475	20744	1	9211	1	1	1	1	1	1	13046	1	19199	16909	1	1	45766	42471	1	1	1	1	1	1	19296	25431	37922	31958	13786	13045	15547	7521	9994	1	12431	15929	11732	15154	1	1	16671	22532	8383	14017	1	1	1	1	34377	19056
321.8342@0.85901284	32513	31254	34495	33077	21076	20861	32300	32320	31005	31860	19722	22725	30856	28430	24850	28204	38032	29507	30229	30667	23592	21162	32151	31911	24916	30489	26418	30545	36713	31696	5665	6914	11763	8940	8960	9683	7271	5942	12833	10133	13003	11591	5653	1	10122	11029	12969	12258	6370	1	1	1	7676	8218	1	1	10928	10440	22016	18345	20731	19367	32387	26779	18876	19053	22961	14913	12594	12647	39568	39356	11318	9836	14439	11094	18098	18159	25100	19982	29017	32967	28200	23858	15286	11329	29937	27113	25568	17123	26753	25940	17953	14499	30111	27921	26899	24284	10812	12569	22484	21284	18927	14556	18501	13769	11228	9045	13748	19961	19445	13869	19418	21301	7989	1	1	7604	6325	1	6546	1	1	1	1	8370	6703	6982	10705	10539	6202	7908	10165	10422	8662	8860	7861	7245	7643	6038	1	6431	7086	7225	6408	1	6435	6207	6624	1	9169	7525	7351	6270	7888	9210	1	1	11054	9718	6876	6928	1	1	1	5305	1	1	5971	1	1	1	6970	7638	1	1	1	6388	5906	1	1	1	1	1	7438	7951	7933	6575	1	1	1	7836	6697	9251	1	1	6923	8009	1	1	7127	6469	1	1	1	6652	1	1	6359	5853
448.7536@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29127	28404	25686	23793	40793	38103	24810	23210	24952	27811	21129	22493	35807	35339	16507	14669	22523	20206	25878	26789	32472	36149	42371	39696	40348	43434	22047	25485	32144	25018	30300	33398	34217	33399	25509	22041	36520	33929	34197	42349	25731	20602	37666	37439	30634	32126	31592	28375	19355	18344	26977	26355	26617	24390	34387	29382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
841.6742@0.87400025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57676	61717	50240	43861	53340	53980	53213	57703	53612	59912	42391	42380	54332	58056	31334	30072	55987	56453	64562	60291	44559	42955	36887	33278	44568	49263	39822	39863	54958	41509	43361	47932	50612	52254	21992	21757	51762	53040	53256	51978	51302	52322	38836	49590	48495	47922	53225	52053	55280	54060	38962	41240	53409	52737	58430	62166	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
804.265@0.9899999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10016	10498	1	1	1	1	1	1	12076	12644	1	1	1	1	1	1	1	1	1	1	8637	9960	1	1	40200	44198	26527	26465	8890	9224	1	1	14360	13618	12220	12601	1	1	15006	13895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35200	30711	30978	27273	49812	45146	26315	30831	20693	30010	20037	18356	48224	55946	20016	17984	18041	28692	25566	31042	23787	21818	29503	34330	35245	39402	24966	25378	45306	49778	40450	46968	50364	43372	24354	20748	48735	42526	39155	40764	26681	20178	45012	43891	31012	29450	22673	26996	14831	22500	28633	26410	26729	27466	30247	32971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
548.6989@0.8713433	29268	26406	28073	25848	24033	26598	29552	24908	28714	27590	29023	26560	26495	27017	24439	24921	31099	25397	28081	25689	20884	19700	27792	27868	23186	28479	25942	25985	29161	22671	13935	16505	17659	15986	12806	12552	11091	14296	14469	16390	16290	17548	14149	12953	16329	12652	12763	15089	8889	7160	1	1	14160	15575	10501	9890	21496	17276	38974	40887	45341	45597	44461	41954	54622	47644	50922	51199	45111	42360	37404	36112	33114	30363	48529	48925	44801	52509	46669	49085	39641	33652	42739	36473	41960	45933	36062	32539	33816	32062	36273	35470	26272	28922	36219	37392	39379	38111	52707	51453	41334	40025	47017	47567	46835	41207	33119	42699	45350	44241	53723	46918	49029	48034	11964	11714	11361	12288	12668	12325	15933	14321	8439	7976	13583	14067	14210	13191	15097	15352	12902	13089	15359	15308	13614	14282	17389	14136	16076	14313	17554	16268	16290	12378	12746	11134	10839	9375	9665	8515	14932	14493	10776	10318	13291	12746	1	8130	17078	17479	14620	14704	10358	10359	1	1	1	1	1	1	1	1	9939	11380	1	1	8854	9072	1	1	7212	1	1	1	11758	13375	14366	13361	1	1	10920	11884	14353	15305	1	1	9995	10201	1	1	11303	12644	1	1	11027	10312	13619	11848	11381	11042
C17 H24 N3 O18 nullnullnull 14.039579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48518	44497	58284	24526	44795	53083	27095	41553	29418	82112	28728	32143	30940	34823	59961	25849	15278	57101	28950	27473	18199	24897	44138	1	68603	132393	13489	16063	33379	78444	26610	64780	23513	26533	23807	21482	27107	81855	18056	68982	33182	44722	17136	35875	21894	1	35500	40567	70910	31469	42114	30867	1	23593	47434	46365	30161	1	133257	40011	23538	27295	31327	1	36136	1	49293	1	13640	1	1	1	32881	48870	25102	1	1	1	18317	1	1	20578	1	1	1	46616	1	1	63121	1	22134	1	25773	67318	24320	41698	1	1	1	1	16636	28083	22902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.6822@0.85895324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36618	44516	42913	39588	41355	51693	41760	42050	35152	35503	33550	32195	37273	46972	22407	22220	36612	33410	40395	52215	50934	47380	38660	41817	46799	42105	25267	31386	46631	41128	43637	36326	33380	34514	28250	27345	38242	38442	34590	44000	27766	32961	35456	38541	33449	36538	30665	37953	29394	24793	30522	33860	35435	33953	38589	42590	1	1	1	1	1	1	10397	13244	1	8280	11815	1	11068	8755	10458	9034	9502	1	1	1	10071	1	11054	1	9641	8445	12844	13624	8018	7277	11572	1	11963	1	1	1	10102	9901	1	1	1	7041	1	1	1	1	1	10513	1	1	1	1	1	1	1	1	1	1	1	1	6895	1	6508	1	1	1	1	1	1	1	1	1	5985	1	1	1	1	1	1	6426	1	1	1	1	1	1	1	1	1	7757	7369	1	1	1	1	1
C20 H5 Cl N5 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39082	37436	34631	33303	35452	31463	39757	33784	32917	30390	30996	28257	31220	25427	26761	29465	31410	35395	35492	27450	25714	27990	21369	25626	32070	35294	24090	24145	24832	26049	27105	24370	32154	34424	23614	26052	38033	35406	37169	37780	36563	41908	40188	37007	42738	45535	37706	46000	25208	27224	39131	38662	42897	42982	51010	39132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.8301@0.8738292	186351	189899	187101	176556	190250	191339	186431	182808	211199	207272	202272	199006	188941	182628	127124	134685	197594	198384	174068	169556	170895	170732	152914	161290	201809	207215	174470	170082	162402	182898	252101	259237	309197	302448	287105	291749	296496	300222	220530	214509	293947	290307	228854	229656	166335	171651	201781	197443	253795	253161	138253	134373	220712	207621	344754	345854	309456	319104	123461	126330	95576	84704	85917	83912	104666	108705	122928	125369	100740	96891	75036	68887	75910	68184	134829	140703	120187	113153	88704	85179	51069	56698	71457	77038	95360	93295	64826	56591	54817	65453	73065	70344	39636	42807	61949	72489	87352	73774	104405	101678	77218	82135	94474	102022	99801	105716	112711	136275	74815	74234	113697	106448	123393	115764	12441	12905	14368	24973	34887	17405	21066	16765	18106	16183	33175	16072	17195	18911	23520	17710	28001	22875	21704	18493	8147	12758	31088	1	15936	17048	19224	20158	12468	15453	1	35521	26437	20032	6379	12746	20241	14327	1	1	19826	14097	38966	29545	37008	28675	23690	29417	16782	13919	1	1	1	1	1	1	1	25381	16488	16907	1	17718	21197	22302	10674	6953	7902	1	7024	10524	18543	1	13805	20928	11899	1	15716	12843	11569	24474	14318	8292	14926	10712	7215	1	11223	25397	16420	1	11251	7225	12778	14280	17336	11011
240.0997@5.2304683	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29404	15407	15951	1	1	1	1	1	1	1	1	1	19977	28869	1	28272	1	1	20925	20283	37581	14998	16338	13820	16394	15112	19912	18492	18388	9237	55661	38005	1	23517	27904	16838	34849	37534	16080	20970	27269	37397	39811	25071	42630	13272	32238	15968	22109	43648	26831	22857	45135	13585	56667	1	43449	14027	1	42575	14888	24543	1	1	1	1	1	1	1	1	1	1	1	114747	1	1	1	1	1	1	1	32477	1	1	1	1	1	1	1	1	35620	15701	1	30386	57038	100219	1	1	15010	21793	14724	65833	12583	23142	15331	11988	9785	13286	1	12990	1	1	15568	13936	9830	31104	25667	29193	10633	28411	1	1	1	10112	50825	21406	88072	35245	22080	15231	49691	17270	24595	51114	11543	16372	18570	43932	1	1	20079	17710	1	1	28096	18466	1	26758	36283	36726
C4 H5 O6 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	116971	111356	107980	106198	64275	62493	125965	120629	121036	117205	110618	109149	44003	40229	81949	80517	118367	112796	109936	99220	88511	89475	50147	53489	70940	69927	101885	104679	27405	23136	41042	38420	40564	41411	56814	52756	49925	44898	61402	61693	126000	126904	71123	71341	111277	107796	111199	105716	127419	121234	107625	107222	117238	116554	102483	112862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
547.84@0.8536417	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51268	46657	51355	40127	61761	61160	32875	34239	37563	43891	30529	37211	55998	56022	30218	30286	39538	40732	50344	33528	31052	37712	44438	43729	54441	54102	32831	30873	55235	54567	61657	55545	56824	61198	40835	40094	65009	61815	65586	71588	40982	49081	64947	64728	50702	47087	44973	54423	37741	36560	49536	48168	46610	53550	52242	46665	9779	9147	9286	7210	9098	7403	9475	1	6422	9871	5835	9788	1	1	9941	9726	7568	7503	11027	10684	7766	9504	5361	10322	8325	9039	12027	11160	13137	1	9830	8497	1	10265	7448	11616	7915	8060	10399	1	7736	1	6932	1	8998	8762	10068	7415	7210	1	1	1	1	5888	5674	1	6242	1	6753	1	5164	1	1	1	5379	1	1	1	1	5539	6779	1	7661	10863	5643	7014	9637	5913	8269	8339	1	1	6808	8660	5634	1	1	8210	6608	8438	1	6015	7981	1	7600	6286
C7 H2 N2 O6 nullnullnull 0.90831274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89460	89211	54503	54203	69797	62160	44004	40827	40755	39425	39711	34613	51008	53046	48695	50999	67675	72923	55735	45259	87919	103751	47399	47073	58802	59745	39699	41952	50860	49128	44150	45501	42428	37783	35882	33068	64173	61600	45679	45499	79218	62744	51374	47004	44170	39570	34978	27126	26968	21698	65450	68027	35309	33195	57399	68023	17018	27123	18735	11996	53785	61032	16390	23505	7970	10476	14891	14110	14018	14133	22685	23323	20775	17620	25183	24555	15129	14497	19811	22566	20003	18381	15814	16375	22124	19077	18890	25343	16093	14252	10527	14543	17509	21380	12215	15008	63441	48415	6810	11734	53871	46709	23161	18302	17831	14056	6291	1	1	10194	7493	12188	1	20429	19182	19937	16128	6214	8428	6267	1	1	1	11791	1	1	16613	18175	23621	27354	10515	1	16252	19156	26967	29467	1	7600	20485	19368	1	1	25487	16718	1	1	18901	15436	14702	18433	13679	16129
Allicin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	405143	1	279893	1	236430	1	245697	214350	270183	256274	155931	147614	160802	71143	19410	300508	388173	393435	394034	428232	306750	163094	177352	9534	236264	258589	30644	26775	1	11256	8239	1	35184	53104	30473	267738	39369	36290	176170	159298	255769	219372	175995	183481	312213	314354	257111	215300	319385	313988	1	1	374031	383859	185826	292007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.2415@3.3416085	17022	17403	13306	13445	7330	1	1	7041	9581	8290	7373	8332	9967	6938	1	1	24078	13910	6570	1	1	9385	9483	9846	13478	13611	14834	16587	15773	19741	1	1	1	1	9589	8823	1	1	8685	9990	1	1	1	1	1	1	10823	8545	1	1	1	1	17638	14006	1	1	9225	9149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10594	10598	14740	11106	11928	11971	1	1	30617	31877	20423	19341	16857	16134	1	1	40373	38106	17518	18260	11079	10326	34955	36138	11044	12530	25790	23880	1	1	11014	11958	14313	15305	14204	22594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14971	16310	22644	21613	16080	14690	9547	11002	48474	44113	28496	23183	20659	21102	27322	27918	29346	26445	15804	13085	48204	44904	49170	47843	22139	23473	51660	51335	58948	56882	17527	19421	44971	43509	34613	34045	44152	37455	14158	13991	45940	45772	55684	61933	49333	45707
393.1631@1.0680001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22675	21422	1	1	1	1	1	1	1	1	18373	15195	12037	13684	1	1	7730	7982	9800	9409	18124	21012	1	1	28637	29374	40576	38472	1	1	8624	8906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-(2,3-Dihydroxyphenyl)propanoate	18163	18674	26504	25780	18054	14045	12453	12252	13463	14959	11609	12839	19174	19395	20292	18105	23644	18196	9958	14875	13147	13193	14354	13625	14398	14772	15623	13852	17275	18472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9427	9985	11888	12627	1	1	8187	8499	8627	8810	12979	12695	22449	22817	8560	13074	1	1	8763	1	13012	19029	42748	42894	23129	24410	24453	19939	18694	20477	28775	29187	14294	16791	1	1	21522	21650	13838	16028	21910	20720	10298	12815	21967	22424	17627	16727	9989	7896	11559	10522	18114	18021	21704	18018	1	1	1	12032	1	1	1	8632	1	1	1	1	14717	11233	1	10170	1	1	1	1	1	1	1	1	1	1	14163	15374	1	1	1	1	1	1	1	1	1	1	1	1	11421	1	1	1	10317	10677	8558	8716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20366	21145	1	1	1	1	8272	1	1	1	1	1	1	1	1	1	1	12435	1	1	1	1	1	7150	11400	9363
207.9797@0.79106516	1955000	1854682	1549930	1637250	1496140	1526917	1232822	1216480	2058452	2073046	1626596	1678214	2100325	1648562	1080371	735560	3037521	1950290	1462240	1311867	1407042	1622578	615627	677819	1485709	1419164	1014572	990449	724622	693254	4714686	4730923	4827923	4981880	4911601	4958619	5046940	5142549	2609389	2653521	3852564	3909317	4146384	4253922	1534523	1544558	2268717	2365164	5391344	5497970	3631992	3501585	3029183	2891719	7436092	7361491	5358829	5259581	3741336	3657393	22514	2632832	3195842	3015512	3075636	3111829	3490996	3600266	2743413	2558796	3113199	3074212	2643937	2588765	5083876	5069998	4896118	4242899	1942130	2108890	762490	24813	2700025	2793772	3019261	3214376	3509482	3631409	2620852	3097019	3859311	3784558	1357575	2649335	4361280	4256346	3711874	22294	14886	16859	4210296	3930135	3945894	4116153	4807155	4719305	6202427	6293688	17593	3481176	4632744	18996	4691611	5223490	4877230	4961107	5673753	5885602	5765861	5848867	6813213	6860308	6347664	6344998	2498734	5647210	4912372	4903893	3679659	3658899	5571382	5512658	3814722	3795644	4057105	4014719	6142055	6263150	4801699	4871336	5921429	5898296	4295472	4216668	6582816	6635871	4791829	4846386	6539846	6512105	5466945	5584865	5305066	5173561	1567883	1455639	5156567	5030246	4950293	4913124	2832120	3609033	3838476	4184380	1168758	1216644	1510958	1466100	1521433	1537208	2850595	2839186	1687223	1710766	2041963	1957540	1600231	1622684	1539486	1571639	1505346	1460875	1463656	1496050	1297551	1258335	2042158	2059741	1846456	1786506	1002406	993043	2793138	2802650	1429027	1451635	1859331	1754139	1497546	1507675	2381770	1799937	2427265	2445578	1441809	1441425	1184968	1336900	1247214	1242821
D(-)-?-hydroxy butyric acid	59895	55493	76927	74973	51555	55323	69434	78615	76262	76566	44448	46928	61971	63961	48448	56654	54429	61885	51482	55566	29980	37251	77478	64468	54409	58562	55263	51488	78749	74377	24749	15850	39572	38164	38374	27241	37953	25599	34664	50056	34581	30544	27303	21341	22175	27445	36582	38933	19758	25896	17982	32428	40915	34844	36490	23998	32565	37239	39271	39498	23528	39169	76241	70821	29311	26388	36716	42081	34391	22493	90114	87960	17605	18962	16075	15222	20663	16493	28740	33094	64954	56882	84787	83472	16247	19798	140316	130286	80981	87824	76061	73617	1	26125	77944	67842	85672	95628	19481	11831	57633	60675	9158	21087	10250	24056	20105	9125	14018	37075	31777	23789	24562	18994	26463	29273	24396	24083	24365	23274	22358	27500	23338	23739	15253	21794	22113	19607	19121	18562	19053	18533	21448	21620	16984	23191	18609	17260	25386	21046	19931	22363	24794	22720	19619	17340	20193	17542	18081	18174	9498	20191	17241	21474	21337	19581	20470	17572	16409	15930	15570	16726	19687	18098	15425	37103	19164	1	28360	56699	34258	44862	21157	1	1	1	46715	17548	1	1	1	1	1	1	1	1	1	1	27770	1	10038	1	1	1	1	1	1	1	1	1	27640	1	1	1	1	1	30765	16870	1	46447
422.1883@11.738003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6484	1	1	1	1	1	1	1	1	1	1	6674	1	1	1	1	1	1	19094	55245	97301	358596	19705	10763	19918	21946	1	1	1	7929	1	1	1	1	92958	7567	49236	13034	12763	7044	1	12456	1	1	8298	10195	1	1	22322	12528	1	1	8844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H26 N O23 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62086	61157	69811	62066	61756	62858	66125	62936	47963	44829	58039	64567	73165	45591	31464	28482	39708	33604	29424	29498	39412	40951	56161	48813	39281	33360	38120	40358	27742	30110	35509	32114	37945	31118	27701	30289	39639	34011	38881	27211	27888	28234	37193	38721	30737	37045	41766	35329	38130	29020	37513	47125	34533	28870	53510	36426	22319	16123	19913	1	13729	23671	1	19947	1	16163	13921	1	13177	21636	22338	23565	1	20434	18215	16315	21532	12911	1	15913	19469	23737	22006	24798	14833	23631	18006	1	1	21921	12996	1	24595	14955	18218	20512	24706	21423	19027	11184	22062	22337	20758	21518	13370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.9484@3.508249	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39745	21266	154490	28839	21705	82830	43118	93767	131553	24435	160197	19547	64309	33845	32372	51802	32321	19141	1	1	1	1	163075	36008	1	23016	1	1	1	1	32619	57577	23457	1	13000	1	25438	1	24954	1	108963	1	23857	1	1	1	1	1	1	1	128848	1	1	14062	1	31608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
377.7985@0.86601716	26881	19899	30683	22915	20991	20213	31439	28179	24641	27059	22872	17071	23392	22653	20316	21744	29921	26721	19915	23156	22050	16403	22200	26490	21351	24716	22617	23404	26722	26024	15199	15268	12922	15786	14990	9653	11906	17673	15232	12320	9612	16258	12049	13823	10013	12711	10204	11515	10753	13954	1	1	14998	12485	15669	7804	17260	14444	27381	27126	35574	26102	32743	24430	32440	26805	31522	28339	25775	29588	25815	25268	15647	11157	24771	28098	29538	32269	39126	30228	36483	32191	31574	32053	30394	25778	21040	25666	25619	22735	31552	23817	18765	16108	19350	21953	33722	24927	27037	19814	27756	25291	25466	24622	25029	26973	19543	23432	22247	23431	25530	24291	28127	30131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
745.7091@0.88889444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58971	66694	52837	47172	51311	56507	66006	67303	64881	74106	51059	49219	68005	57791	46175	44376	100232	104928	93570	74580	49296	51807	38050	37755	54042	56180	54703	53723	46019	49033	46578	46184	49907	49757	29814	31169	53961	62840	66731	60386	82170	84592	63677	54603	63202	69743	76359	81158	109488	114016	55070	55421	81052	88607	108220	98711	36783	34944	50896	47704	48481	50020	55436	55012	43161	40888	42200	44380	45202	43704	32123	33072	44438	46583	36169	32883	38537	37208	53594	50548	40383	42492	57807	56942	35598	36465	67618	66216	42058	39955	56501	54087	56518	55190	45042	45283	22491	22065	40939	41801	45376	49371	33561	37751	40297	36590	20007	21086	25757	19858	16522	17083	36760	35872	19662	19238	23043	26941	27292	26252	24161	24871	33263	33578	27451	29076	26560	27238	33199	36532	33217	33750	20377	21617	51347	48280	27037	27203	34727	34329	23719	27167	28139	28496	31966	36008	32023	29156	22374	22561	21728	22810
3-hydroxy valeric acid	54977	57591	48946	39155	35628	44606	77429	82275	54418	94718	55269	32259	54960	71716	29921	26437	32432	65590	60510	61998	18461	53958	81204	100066	31595	26603	61809	57058	37274	71964	43228	31232	45535	27153	12082	74939	38994	33444	48277	36035	58764	51266	33586	28639	65195	43662	55503	52019	35647	19484	1	1	18916	49436	80956	1	50883	32833	19888	24782	27271	15603	41257	31859	25887	21593	19068	14096	21188	31634	31100	35850	13606	15150	13388	1	35727	37690	25862	41497	20886	45519	17358	26256	25179	20040	91855	78481	41970	42006	22281	16037	33637	14904	53405	33988	38800	40168	1	13938	53374	64469	25383	32975	26682	28161	16861	20476	18764	26156	27108	28649	38641	35423	23545	24018	35965	38121	1	32866	1	17750	25921	10178	23375	1	41077	38425	1	1	20378	38476	1	37051	18617	27325	28454	21129	18055	24640	23173	35147	22490	1	1	22511	43358	45175	43412	32908	1	32622	10523	43969	32926	34983	1	29691	19984	33238	1	18769	1	33636	23296	34625	11529	19323	29062	29767	30878	33691	59616	61399	26806	14243	53153	75417	30725	19011	23133	31020	26897	28472	25146	32929	71670	70538	24709	19872	78592	42093	77115	96942	24718	8794	73770	74019	31353	34100	29500	37944	37915	46702	25421	23060	49536	63817	49335	58192
363.2382@13.377583	18330	17456	1	44305	1	1	1	1	1	1	1	1	1	1	17243	1	87130	1	1	1	1	28833	1	1	22512	16859	18006	11796	15540	13053	27568	10155	27781	12096	1	1	1	1	37715	35955	12299	1	1	15352	38419	12728	29339	17719	28538	9650	13257	1	27174	22022	31593	9433	13005	19571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12104	13450	13694	14713	11017	11470	22080	19613	96298	113384	31048	14839	15756	15305	10703	9663	15584	11800	12560	16520	14699	15891	30570	19432	28933	31059	21935	23897	46183	25142	19106	22626	49082	28254	18778	19382	43391	22519	17131	18929	44201	25619	22076	30436	26177	27880	29669	30982	28589	25337	23607	21268	25994	28215	28765	29086	30649	33815	28375	27482	37743	31111	25797	23687	26081	26305	30084	24850	31818	35775	31898	25595	25916	25551	29271	23728	23048	21686	26981	31140	26112	25250	37749	37451	28966	25565	30972	36645	34403	26070	26557	26538	40560	33346	56831	43015	53082	31232	26643	34050	35454	27155	42208	43694	34162	31076	33074	39157	40961	31578	38412	34424	35403	35296	52175	28911	34573	31438	35616	27264	31851	32976	31346	40462	29713	31956	28140	29923	73851	43826	36545	30970	32759	25866	57846	58845	30479	32618
478.8066@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39729	35748	28449	29996	29346	35229	37092	34649	37659	37147	34348	31561	39139	37606	25037	24599	38607	35845	36228	34037	31888	30919	30611	30848	32758	36567	31688	29790	30882	34178	26846	38886	35268	29691	17568	18413	35450	29148	28975	34001	34469	39318	35648	31193	34827	31027	31499	34455	35084	38424	32143	31040	30580	29665	36536	34943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Leucine nullnullnull 2.0317786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34754	23801	1	1	1	1	1	1	41943	25308	35290	33191	27407	31526	21736	22035	66288	93836	129392	124804	57715	86178	23550	28206	133494	96917	131882	100838	99251	104831	51379	66215	294408	323452	163355	175491	98526	95946	292845	248227	80328	84949	126521	133382	51104	51998	95564	99161	105179	93743	188035	182073	24051	24220	42690	40454	34848	33787	105806	112990	27672	26525	36190	33267	59301	54509	30882	27808	42288	41417	40819	41596	46188	43001	43273	47200	77871	75882	37765	40633	85816	85474	27541	28590	42108	44360	42192	41795	30850	28182	46793	46619	39057	38603	28550	28823	44017	45588	33597	32368	62926	53637	117359	130790	159096	160447	115212	109699	112177	112567	461664	474151	150852	159728	208160	199145	128748	123242	228756	237737	85613	79474	419056	378645	684133	667001	177655	165375	419822	405462	682037	1244667	123669	115610	532673	511485	146879	148919	299403	306617	235242	232748	398132	387655	422291	468512	478173	512733
929.7143@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35705	35882	39740	42884	33626	38996	31267	27739	37765	32268	29175	29328	32804	34918	28655	26313	30265	24532	35397	22299	20820	28453	23111	29105	37090	38521	22505	29293	24167	26031	30573	33811	27244	32863	29973	25968	38688	33213	37745	40039	34543	34243	45057	43279	44585	42368	39100	40333	28164	22196	40037	41557	36026	37038	40114	42312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.7433@0.86963916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120955	121753	92761	97189	93428	94087	127332	124167	125638	132324	95231	94562	76195	85650	73092	74903	140705	145553	134024	130604	85243	91025	59756	51165	87327	94639	90693	93159	81556	79784	61706	75959	89909	74010	55205	52492	77147	76885	88293	82286	115278	130050	88902	90087	99876	111773	117834	123322	143038	144316	84293	90193	126021	128211	150429	143182	14473	9603	14239	12952	13422	14289	17832	15830	9109	9933	15942	12393	16277	13284	15320	16709	14177	12809	15841	12304	18056	15568	14411	14184	10496	14940	19454	15510	13182	15364	16009	13696	15410	13751	11528	9144	14327	17291	7753	12499	12596	13997	11772	11834	17043	17666	13298	17652	13679	12005	5884	1	6288	1	1	1	8126	7427	9294	7239	7541	1	7582	9427	7145	1	6390	8193	1	1	12047	11267	14521	13929	1	1	11923	8920	13398	13776	6445	1	8656	1	8004	5664	8036	8276	1	7724	9457	10409	10313	12017	7955	10430
C18 H2 Cl3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44444	36066	38113	36340	43694	35841	40582	41342	38205	37584	40213	36984	58044	48931	26358	24005	43192	39847	38499	48577	35698	34114	33015	42065	36386	37305	41382	36429	44299	37381	41094	46460	42049	38134	27677	26003	26147	38507	38934	33098	35339	33765	30862	39885	42941	35898	29004	34582	44778	40766	36502	27729	32162	33593	34170	38284	39035	39724	49252	50591	40933	35735	48317	51203	45545	49069	44456	44910	42820	40803	41478	38851	44624	44985	40107	37050	42408	39852	50332	48184	40033	44835	49677	46440	44876	41993	52388	55303	41116	48276	54405	51996	50894	47117	45117	45228	23954	26065	45358	47361	35147	33596	40963	38829	45536	42549	17747	17804	23476	22442	16338	20572	35932	33988	15600	16330	23480	23609	30022	31959	22425	22660	21874	23853	25153	24481	19253	19953	16810	15634	28992	24715	15856	17577	28094	24430	25441	22653	18723	18347	24044	24769	20167	23314	41183	41387	20459	23343	17638	17751	21139	17454
C10 H6 O11 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17591	17682	12520	14258	28650	29041	9151	10329	9621	10929	12516	13490	39927	41840	10517	10349	10760	8134	10449	9826	12177	15115	34972	29801	27893	26164	10662	12925	44288	48329	33557	36350	42417	38687	16348	17146	38624	35702	31871	31645	10228	12264	25315	24911	17577	15682	17824	19819	9188	8009	16520	16261	16764	17310	22239	20770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(0:0/20:3(8Z,11Z,14Z)) nullnullnull 10.263555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19788	20902	10150	9576	12013	9947	1	1	8654	9046	1	1	13424	13898	14300	10513	1	1	11655	11461	27655	24782	50180	27859	17434	14494	1	1	18083	19659	20959	20559	19841	19524	14393	15896	23989	19637	27665	25250	23730	21617	24465	25133	22524	21586	36536	19465	1	1	22986	22554	18414	18879	21669	16766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19650	19968	1	1	1	8355	1	1	1	1	1	8473	1	1	1	1	1	1	1	1	16099	14559	18315	15553	8042	1	12097	9520	1	1	14636	11537	1	1	1	1	9862	10391	1	1	7304	1	11548	8578	1	1	19325	11543	1	1	14231	10903	20810	26258	9296	12302
333.1572@8.110996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10679	11078	1	1	1	1	1	1	17062	24826	26931	24562	36447	31672	1	1	24287	24786	29995	30118	14995	14603	1	1	32921	33064	40866	37945	14309	13446	47675	51133	12827	12074	21514	14225	1	1	17666	15353	1	8440	13506	11461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
494.7422@0.8715232	22442	25932	22159	18045	22457	20364	21115	21330	23048	26352	18202	25224	32723	25419	22708	18126	24592	25850	24494	18601	16468	17478	20024	17934	21850	24952	31410	25690	25671	22791	16281	18253	16282	16683	16535	19278	13596	13513	17806	17752	20016	19911	11253	14632	15548	18094	18734	18023	15323	12674	6957	1	20699	15362	11193	15070	22994	22773	32058	29044	30378	29298	20034	22871	30620	34828	31443	33887	32212	30556	14569	15501	17809	19106	34379	31477	31359	34639	31658	31423	18939	22488	26323	21937	22495	26441	11500	10848	16439	14684	13260	12972	18953	16659	13450	14041	18541	18831	34501	28303	23191	20750	33243	31028	29530	33143	29240	26659	30664	33321	34313	30223	39722	32857	12158	11189	13395	10396	11504	10280	13805	16111	8710	1	13183	12072	13260	12328	12911	15195	12460	12543	13545	14460	13217	12985	14169	12332	13397	14127	14340	15827	13745	13122	11264	9475	8465	11768	10273	7626	16370	14481	9205	8559	10751	10691	8172	7058	14362	14401	11969	14992	7603	8297	1	1	1	1	1	1	1	1	6136	5904	1	1	8301	9178	1	1	1	1	1	1	8600	8775	11453	11614	1	1	8692	8660	10257	10035	1	1	7924	8797	1	1	8858	9249	1	1	8162	8871	8983	11155	8134	8510
Tranilast nullnullnull 7.5759993 :2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35241	34562	1	1	1	1	1	1	18269	18653	32766	32062	20404	17446	37432	38348	34699	36750	83160	81528	84075	88746	107282	102735	29751	31662	22010	24560	36646	30157	24068	24970	1	1	40017	37973	88702	80462	38035	39164	74812	70927	49191	46648	56574	53357	39617	34294	62614	62241	62274	59933	60347	55942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.9798@1.1019704	92238	54279	45522	47110	38616	44773	43980	43186	78154	59420	64018	68670	148138	65940	69553	46461	639549	96445	108392	63409	53681	86320	32232	30321	40709	40536	45122	31107	28989	28933	1	1	294571	38112	335292	337157	1	302328	1	207322	11348	1	1	1	1	1	1	1	1	1	1	1	1	28238	1	1	362363	311932	1	225880	1	1	105320	88946	150785	1	1	1	114144	135943	109242	32785	17342	1	1	279412	301780	1	175707	126761	110645	1	153088	119807	204283	1	25530	24087	71312	101196	128697	42203	35125	1	25285	31883	132518	148315	236435	203242	122562	130185	1	209770	252768	187003	1	39995	1	1	210098	233705	1	198256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.7352@0.86096454	34165	31963	27066	30942	30752	27238	33629	33063	33831	35765	31192	30389	33383	24854	23197	32336	32073	36033	34108	34625	22746	23466	31254	29147	33287	28037	28667	26684	39479	34611	34756	22419	30068	30321	26563	26327	22279	28417	18380	21394	26270	26191	21771	21996	19732	17918	22185	21909	19984	22023	11541	9021	18578	19845	25931	24334	24717	31303	25545	24786	25185	20444	35253	35942	21761	23056	32071	26739	22914	20211	35983	41739	17636	18278	24817	26353	27869	30171	25997	28771	37527	29827	29490	29719	19709	24387	41739	44966	31973	41364	34612	36638	12709	12082	35133	45690	31610	33838	23654	21378	28121	25502	20752	23892	18025	27804	24131	26952	22920	24010	30689	25779	26138	26862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.0943@0.9769998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8291	14942	13815	14341	22303	24096	1	1	1	1	1	1	53000	53140	1	1	1	1	1	1	16791	18009	42812	34385	41512	38137	1	1	69185	68525	50030	47252	44775	52236	1	1	40830	51759	37080	46090	1	1	33903	25574	11184	9895	14547	15507	1	1	17415	15970	1	1	25766	18526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H4 N3 O23 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27789	30135	11336	8576	34155	36414	18262	19412	20348	8909	20359	24051	36840	35940	34662	31385	34854	32546	28818	13943	13263	15458	33358	31698	33399	35765	22373	22383	30740	33895	32379	33224	30372	31110	18841	20666	34014	32877	36050	34357	31967	27634	31121	31754	38925	35485	33009	33056	35324	34141	35487	36781	41602	39998	39762	43316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
669.7012@0.8589891	36189	39884	45316	44354	34811	29610	29659	43300	37760	47608	36366	36290	39057	34636	35183	34272	45784	43482	34700	39026	35587	36376	42238	41367	34004	37214	29468	37575	35818	35585	42151	39435	41311	41643	49105	43675	42534	42937	35424	33248	40077	43613	39205	33224	36182	38016	33994	31911	39847	43557	18637	18675	35288	31420	47298	46602	40231	39661	36642	36585	35825	35726	48897	51309	36510	31789	37779	41668	28417	29210	49350	45903	23457	26007	28941	34216	35710	38370	35703	38797	49485	44470	43627	44914	26059	33882	48437	36836	41168	36528	47768	44635	31865	26814	41020	43437	39410	38331	25766	29522	40345	38354	32513	41239	34203	28646	30245	30027	25817	30673	33127	30900	37411	42368	20945	16964	25038	25851	16419	16722	22586	22953	22065	22558	21477	18766	22364	19867	19092	16546	23737	20961	18848	20077	18860	17694	22956	26066	20288	18143	22399	22974	20943	17428	25011	27589	19610	21626	26496	26486	21488	26622	22088	21987	12249	11535	23202	20697	13839	16933	19718	18146	22971	22474	9758	9472	10775	11735	9016	7342	18293	16333	7360	9176	12311	11532	16553	16208	9470	10656	11013	11145	12104	11175	9188	10320	8510	11535	12368	11608	9106	9464	13633	11181	12169	13010	10272	8830	9768	9647	9931	10645	17452	19886	9388	10691	9173	8802	7563	8387
246.1261@9.185446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37495	42696	1	1	1	1	1	1	1	1	36241	27673	32810	1	1	1	1	1	24975	25078	46227	37775	26872	12812	19242	13997	14644	26465	26447	11962	33485	31902	1	20797	15752	22125	15933	26055	18970	13203	37022	20867	28389	47748	47063	16655	8701	1	17625	63930	16488	32462	34354	16928	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25055	38859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14367	1	1	1	1	1	1	1	30059	33357	17297	10843	1	1	1	1	1	1	1	1	1	1	1	1	13591	1	1	1	1	1	1	1	1	1
228.0635@1.5187134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30605	37097	20934	28563	1	1	1	1	41791	47585	1	1	1	1	1	1	23432	22733	82981	82402	66046	74323	1	1	87274	92376	106151	58350	43240	47106	1	1	65428	83748	105688	77135	27981	28194	111170	140119	16710	18461	19029	15976	1	1	1	1	1	11893	1	16929	30277	38048	1	1	44405	45393	26760	25685	20402	21703	35289	35730	13968	15100	1	1	1	1	52766	53318	71491	71256	21152	21306	19824	20331	1	1	16083	17666	24223	20325	1	1	1	1	1	1	26315	36129	28092	28978	1	1	27965	29381	1	1	1	1	1	1	1	1	76906	70749	62641	64300	87497	89039	1	1	1	1	1	1	1	1	1	1	18066	17533	193981	196980	1	1	24652	25313	58980	70278	1	1	90106	84312	1	1	12527	15175	37190	37212	1	1	1	1	63027	58296
> limit nullnullnull 12.052997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	359210	345449	139267	311623	209782	452200	323879	410924	299963	349651	330609	147742	308567	435378	224953	191637	315700	195547	81468	192644	139471	100019	161028	274036	243891	104271	227395	136891	56110	187601	202119	189470	233184	202006	187475	227303	241193	211372	272618	210913	227407	184332	95211	230488	200600	183647	117345	65671	213316	226240	238464	219141	195520	203882	155620	249935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
467.8398@0.85415655	35265	42757	51258	44271	31102	37151	48993	33353	47965	42522	30522	37945	40516	37572	38343	28320	39500	47162	37827	35544	24373	26915	49547	40361	39117	34489	36505	34099	43341	36709	16385	12329	17502	21331	18318	15257	21787	20802	14981	19449	16151	19138	12829	13386	11313	13182	20026	17459	11974	12486	1	8572	21528	20267	12126	14320	18380	13972	40667	40822	34995	30811	47534	47149	29962	29531	33375	33088	26986	27923	53677	54792	20331	14460	26921	22915	30417	33588	34048	40618	45370	39691	48117	42126	25403	25446	40045	43479	42167	41786	37061	36920	21427	19247	37243	41177	36503	43876	23768	22642	36806	35686	24949	34678	26672	31263	18489	19611	30300	33547	26428	28320	29062	34446	10966	1	10399	1	8445	11354	6666	11297	8184	1	7765	10095	10522	12568	11409	9284	10708	13715	10738	10549	10492	13898	8191	11384	11488	13136	9826	9689	13069	8898	8956	10713	8555	6746	10676	1	12311	13139	10836	8831	11956	9947	1	6495	17560	15933	13126	8752	1	10477	7847	7860	7421	6187	1	7328	6396	1	10101	11196	7032	1	10491	8211	6263	8098	6277	8460	1	6274	12027	12802	14698	13112	7894	7770	12983	10709	13657	16904	6969	6868	13758	12259	9246	1	10090	11452	1	1	12907	13692	11069	11148	8804	12084
577.5754@0.86703444	36077	35594	36514	42492	37739	37263	32841	32090	36218	36953	41314	37183	40691	38988	32216	33419	36630	33447	34590	33533	37283	35984	34381	34201	39073	40644	37805	35179	30762	33997	32331	34061	34474	35842	33923	30081	32390	32812	38088	37409	33654	30983	29742	28555	25855	26954	34152	34341	21592	26506	16877	19253	35151	33784	29398	27782	34807	34454	17278	18757	25342	23552	13320	12215	30224	25085	29451	29579	35989	39008	13185	13502	15063	17893	39026	32020	27736	21221	19247	22431	12405	13876	13042	14035	35173	33167	9883	15483	12900	11493	12794	13626	12925	12934	16155	15144	14356	14231	26122	29786	16984	14535	21319	20118	20835	24335	42438	41166	21617	22282	26119	24695	18905	25173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
412.0619@0.95000005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10714	11949	1	1	1	1	1	1	1	1	1	1	11567	10162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17364	17660	14790	15434	1	1	1	1	1	1	10476	11198	1	8877	10314	12021	1	1	8544	9258	1	1	13445	13239	9400	9303	11983	9627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-O-Feruloylquinic acid nullnullnull 0.97600067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23871	24023	14993	18718	16821	16477	12488	11129	13931	11495	9751	11839	18509	18547	13042	13992	15603	17115	16217	14684	21367	21208	65608	22707	16095	20665	10956	10044	78666	82244	63033	66802	19797	19261	9695	13400	22902	22840	20267	25129	20152	19872	25359	21641	18414	18476	21573	23364	8847	9039	31845	36523	21613	21436	20316	22182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.7122@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24484	23331	29859	25073	49280	45986	19417	18785	34939	26942	13491	14406	55151	57958	20813	10756	19715	15027	25903	17540	20360	24346	31439	32432	34967	37238	18783	16697	58201	55045	58229	48806	58213	56786	29591	26137	67198	64597	53243	54370	16235	22763	45533	41525	24035	21658	22875	22222	12838	15289	22187	28318	20276	17639	24000	21045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Chloro-3-oxoadipate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31106	37362	23101	26089	51182	52779	45776	50707	27414	29308	24820	23047	31093	35721	24290	23102	30222	31023	32417	33658	26721	19060	41412	24513	40891	36354	28653	26126	41730	42070	50652	46072	32293	37695	31248	15306	52032	47687	41735	38995	40642	39497	59028	60071	30583	31440	27898	26818	27144	31357	28201	23210	21868	20783	37376	27219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
647.7755@0.8611791	86237	87374	78781	80496	88090	94353	75914	73535	94950	94001	97263	84403	85444	82091	60515	53083	96507	99490	87409	82119	80484	79062	56943	60285	94430	104604	85659	79763	69683	64967	88356	91872	120435	120127	107142	107442	103281	104866	80247	79908	105147	105677	70335	72675	51239	52113	72980	70127	75387	71447	31746	36194	85383	79068	108174	112485	139264	142149	53360	58855	47611	61428	59411	51838	57654	56731	60728	57591	46747	47008	58442	57269	30404	26051	52060	54022	45713	53329	47697	44415	31930	42883	62627	56678	48359	38699	51705	52955	56637	60578	51369	53239	42701	29198	60190	55669	64578	70997	53426	52126	50123	59458	54369	61805	53365	55401	50257	49603	46236	49867	57118	56661	60526	57495	15451	16831	16663	13935	15534	16456	17703	18430	12517	11186	17893	18686	17033	19189	18607	18458	14475	17076	18564	16842	17755	20353	19736	21149	20122	18917	22292	19566	18862	19835	16777	15472	14642	18572	14325	17551	18307	18452	14929	13646	15153	16388	11530	15376	18471	19907	17278	19910	11498	13732	7399	7518	8123	7913	7628	7026	8928	8027	10762	10926	8780	8422	10330	13845	8323	7334	8705	8847	7182	6096	13346	10932	13575	12819	9788	11600	11862	11298	13650	14281	6749	8033	11836	12931	8491	6287	10715	10536	10473	9015	12090	12921	11546	10166	11180	11058
737.6847@0.86254406	30138	34346	30195	37166	23109	22951	25555	37601	24672	34617	23392	21387	29329	27826	17379	28169	34949	29529	35483	25629	22517	25719	38034	23963	29781	19249	23732	25387	32483	28746	26001	27060	22276	25967	28305	25440	24476	27083	27216	24218	31451	34150	17815	19837	22551	15019	24878	19074	16322	17910	9977	8558	20053	21873	22415	26999	26216	31215	31047	37092	32400	34592	50137	44448	37396	41812	35378	37666	35150	31382	54683	55308	21890	20022	35892	34364	41870	48294	43013	39055	42574	43637	54168	46809	30031	33346	46430	45274	41687	46464	41037	47103	22773	24687	43210	41589	40936	37781	34309	33168	37115	48555	31678	34510	33888	40587	33298	34355	23977	30604	34320	35761	36937	41713	17363	18480	19642	18743	15005	14516	26408	24994	17539	17270	20662	21016	17221	16423	22887	20865	22131	20370	20076	20408	24399	18008	25083	22633	18854	19933	22996	19916	21439	23238	24593	24390	20427	20713	22383	24019	26172	21394	20066	18487	13511	15899	16230	17112	18170	17890	21018	24529	22426	18526	7848	1	7569	1	8188	1	9804	10573	10837	10823	1	1	15718	12565	8597	1	6518	10975	8084	6304	12005	10875	10482	11705	9296	1	10218	9723	13600	13591	6507	8854	9894	9587	6269	1	9451	10124	14235	12257	11506	10040	11627	10903	10819	8321
C3 H4 N2 O5 S nullnullnull 1.011367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	249441	270191	200467	135383	23305	49864	206923	192302	268757	277152	171065	197815	49863	57969	287787	267777	362305	364756	380084	471500	232870	103284	289707	26556	278968	201045	260907	283879	30487	32173	21888	22085	40342	47146	351971	240497	46989	22455	31849	27690	307876	293105	247858	39774	27582	302386	380021	309595	358353	358581	222398	267610	297194	261328	51390	101984	305598	293604	335628	323975	321889	273652	367719	378415	329375	343585	484561	333119	304566	275702	245041	257352	355401	314036	267758	260582	223772	246138	328650	365620	287794	270661	315780	369319	232566	245194	390997	321732	261485	297085	380419	358331	339806	349170	337647	329000	181559	198803	341242	315900	315098	304738	264839	287692	295064	295202	183577	173297	171985	192091	109603	189216	183923	195065	167211	125032	317326	347554	290150	168739	287080	158808	315703	151857	176360	144902	205180	150018	152236	139192	203812	199177	171946	166758	181517	251939	191928	141299	166335	124373	269313	150934	413077	204233	186941	228302	166711	190210	252866	357618	167208	153387
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C22 H6 N2 nullnullnull 8.41824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11978	11733	13696	15620	8552	8166	12668	10742	9275	10291	9730	10027	6838	7217	12870	12952	17736	16761	18127	19179	14433	16606	23431	24395	20466	19043	17541	16870	17329	17263	15323	15038	15424	14450	1	1	17191	15840	17832	15425	14359	15395	17678	20263	14478	16070	15317	15093	16003	13972	15194	18841	14581	14861	36814	13780	19492	19072	15109	17929	16815	17570	12196	12250	15009	14737	17633	18206	18448	18701	17509	17032	17928	15953	15681	14145	16915	17240	16608	21108	14463	17134	13218	15362	12309	14943	18242	17266	13731	14066	10182	10830	13853	15476	10399	11193	18032	16248	10831	11828	12707	12130	13986	12852	14232	13767	8927	10882	12436	12402	10147	9333	8323	9624	11343	10886	10415	8962	9457	10003	11169	10300	11971	11010	10625	10980	10037	10832	11739	10347	9634	8276	9112	8917	7014	7929	10793	11016	11106	10197	10011	11563	11367	10929	11469	11417	9376	10699	10651	10682	9469	8905
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C10 H4 Cl3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19113	19475	18322	21246	33172	31665	15641	17237	17490	18228	14973	17033	35800	34527	10565	10102	16064	13000	16702	19107	26486	22710	39815	35003	32443	27610	16820	16585	28240	33237	34664	32872	34046	32244	23891	23830	36827	38666	33559	31300	14404	15547	37114	34150	17900	18688	23233	20116	12177	9364	20020	22338	18893	17214	27390	24631	2417	3846	1	4366	2535	3686	2798	5471	2554	2481	5126	4130	5224	3809	4584	2803	5128	5501	1	3909	4404	2836	4757	2475	3182	3298	3940	3558	2522	1	3014	2643	1	2908	4715	3999	4236	5852	1	3830	2644	4465	3636	5450	4525	4304	4495	2575	5077	2875	1	1	1	1	1	1	2274	2806	2663	2747	2277	1	3020	3083	2372	1	1	1	1	1	5323	3269	5380	6799	3250	2174	3609	3356	4744	4128	1	1	2309	4697	1	1	3231	3614	3748	2489	1	4784	3964	4489	2614	3069
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181.9082@0.8716753	16126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29964	1	1	1	1	1	1	1	11572	9555	8501	12848	8002	10654	13639	10264	8391	9881	11191	12021	13107	7669	8455	15075	1	9051	12592	8447	9380	1	1	1	9337	8406	8473	11383	9684	1	7791	8896	1	12700	9548	10484	11085	9774	13421	11099	9698	9542	9539	8872	18751	8446	10003	19088	8749	9152	10509	8518	8946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.9229@0.8590007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49381	48486	40828	45486	37168	36605	45312	42547	45328	43219	43187	43924	46514	40223	32515	30182	36307	38604	37577	45962	47351	48923	40295	34227	41234	39430	38075	39134	33400	32418	29269	30960	36680	38107	26502	25931	45179	34824	33945	35717	42660	36807	37919	36965	39247	41180	42825	38080	40373	36369	41205	37976	35032	34440	44617	39886	46871	43131	45316	46129	34867	35940	48911	45892	51688	46220	51197	49928	46775	48270	50786	50678	54345	52806	50837	47601	52060	52233	51470	53192	51235	51654	46688	48737	51167	51203	51577	51888	48328	50343	51558	50002	46602	48242	50652	53169	35988	34525	52505	49331	34819	33301	50944	50615	51031	51710	25842	25557	30946	25309	26259	29570	30621	29441	28555	28279	28059	27934	34055	35315	32752	32397	27012	26989	31407	32795	21906	22927	28526	27122	28569	30260	24854	24543	24630	24731	33209	30419	25785	26885	34667	33796	24105	24560	34691	35445	27101	26891	20777	21045	28006	26630
C9 H N3 O4 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24959	22177	25071	20772	33709	34567	20033	16108	18100	19123	15098	12876	46260	49250	17905	16382	20319	15879	20473	16882	21995	26849	35130	33313	34492	37700	16640	15098	42148	40564	35758	39848	41386	42208	22296	24694	47217	48494	44435	46017	17324	23001	37625	38538	31195	30468	24448	27861	11409	13242	28036	28862	28140	23595	38633	31134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
522.7982@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25840	30696	21626	21827	23790	18638	26059	25930	26048	31693	27194	30164	27304	24586	14561	15972	33204	34289	23825	27987	19210	21643	12965	24448	26713	24062	20302	25252	16021	19909	21036	18563	19773	23597	11618	9608	15031	16140	20651	22235	23688	26696	24553	17758	21378	21865	25566	27898	34076	33446	16906	20302	21635	25809	26865	33841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
875.752@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40926	40650	44668	48725	47512	46496	47859	38924	36433	33118	36232	32368	36366	33582	40100	33825	42454	40257	41243	23815	20910	23644	27769	29631	32380	37527	32573	30087	27647	30803	35002	39941	39772	35081	46605	48705	43545	37674	47473	51897	47656	49748	64183	57698	51725	51761	49551	55875	33653	38616	44163	48421	46316	48841	58728	58818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H3 N O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11755	13334	9660	14836	14193	1	12897	12251	13179	13516	14566	17217	12606	10604	19156	21927	18103	18215	22724	23165	20415	20540	14884	9200	13300	13727	16663	20158	8788	1	1	11216	13066	14945	48451	26190	16792	13930	17391	18803	23220	23530	20042	15087	23589	26835	21943	21233	34988	36476	11878	26338	19154	18772	26219	30480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N6 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52475	43299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45360	38219	31973	56262	1	1	1	123383	225479	102428	140583	1	53438	1	37205	154175	165262	109927	122306	1	45016	76193	137384	46473	48876	1	1	1	1	29968	1	50001	51629	1	47673	1	1	1	1	1	1	58882	40883	1	1	1	1	1	1	1	1	1	1	33594	1	1	49825	1	1	47661	46998	1	1	27578	1	1	1	1	39164	1	1	1	1	47570	54136	45272	37116	1	1	58297	35618	1	1	1	1	29041	1	32755	28538	73875	68415	25802	28140	77634	82701	55322	78859	55365	66772	1	24123	82631	79454	1	1	60790	54588	109835	110707	54873	50152	55582	53643	129162	133735	20303	1	95132	84157	1	1	55405	63749	26889	34868	45722	46453	111504	107102	81731	63765
749.7322@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30724	23836	28784	26886	40335	42937	24977	21659	27115	29350	27155	21382	48977	52360	14583	11233	20926	16438	21572	29618	29926	30573	29642	30383	35767	28350	16618	24053	56032	52006	46474	47089	49129	43215	23111	21488	63973	51616	39205	38683	21464	13987	37852	34457	18363	18710	16012	19689	11465	17072	20087	19545	17803	19559	22202	25656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide nullnullnull 7.9628797	59515	59069	47085	48446	13449	13551	61523	56642	174919	109043	28075	27814	77217	75123	108856	106258	83122	80251	77549	78494	64299	71865	69658	74000	35735	34480	196965	194918	136809	144650	162291	161489	148307	145209	264755	263094	320820	319136	524655	527941	281220	280220	154732	156245	248653	240541	240051	247383	62038	56609	33035	34968	288578	284154	21332	21940	137178	130590	40638	44931	48813	48714	64181	66323	50774	53067	22406	23173	16886	16670	172003	172103	48440	51572	18768	19229	46116	47219	48016	47024	53142	50643	65439	63577	41639	39783	38658	103975	150249	152914	102814	98795	16980	19027	130466	121003	193924	195014	59359	58366	327938	325302	63707	57300	41781	41040	11226	9840	64439	63421	51659	49879	61916	54248	7987	9774	1	1	1	1	1	1	11429	13697	1	1	1	1	33825	32015	12190	1	1	1	28260	25892	33910	35100	1	1	1	1	17555	17210	41248	39830	16508	18160	107169	102523	34166	34196	34666	31451	14937	14787	70610	67426	1	1	1	1	102624	103033	64097	64551	41682	41951	22315	23150	81225	82161	79411	76824	46862	45736	49647	49741	16382	16714	23273	19510	27845	31642	142742	137459	75366	74420	12251	16131	120197	114959	40131	37406	24653	21975	37294	26234	12959	12007	150583	145828	23296	24553	87400	58066	159987	172002	69312	44226
234.0787@0.8870001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8481	7748	10972	10275	28685	32994	1	6079	8667	9007	11229	9597	52589	50034	6800	6740	7743	6638	6563	8416	8587	9467	41962	41942	31795	26057	12557	12053	47733	48055	32880	33801	41767	43433	13182	13949	39965	42771	32814	35814	7603	8715	23258	24633	11735	11168	12202	13421	7136	8427	11072	11253	8534	9210	13436	12042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
782.0736@12.046278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49322	42572	49733	46544	55344	46774	61278	51738	74401	101338	48949	93035	79891	52351	30378	22586	49247	20153	23642	36527	31508	48463	36522	37362	34026	47443	31156	27354	38520	22453	23443	35700	29087	39868	20716	43008	31721	29469	55527	51681	22216	43519	32100	27776	24602	46640	36823	29102	24148	45582	32308	43393	47152	46747	58850	41453	1	1	21522	14678	24738	13500	15676	22861	1	20236	14081	12867	25314	23453	25685	28984	22512	1	15834	16562	25337	13184	22660	22604	15385	23390	30479	28718	16385	23603	20077	11288	14364	24737	18999	12859	1	1	1	13441	16923	16547	1	13120	18119	16038	16840	17372	13161	22908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
586.1413@13.394996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33775	23352	21272	20424	50830	33707	21285	15050	21094	26549	16815	17234	20451	13130	15567	1	15548	1	18253	1	1	1	73299	1	1	23335	20897	1	1	1	100571	1	22219	71227	1	16077	23996	1	13976	76773	16292	1	29083	34272	32483	14400	73899	20916	1	1	9795	1	17231	18592	49397	14723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Undecaprenyl phosphate ?-L-Ara4FN	41175	38784	46106	42640	31934	25490	43996	42560	39658	42656	27421	30766	34448	35265	35528	34647	43927	38543	37533	40033	24337	27802	46266	39341	33568	36619	34398	37668	45331	49172	15460	11504	13612	6896	6605	12672	8417	16712	16357	8816	16168	6956	12589	15018	17153	19046	13505	13513	13540	14048	6245	1	9567	8866	17660	15562	12941	10749	29776	28596	28012	30948	50035	46004	28393	26975	29173	32787	25722	23089	36846	43307	20997	24474	28049	24110	24844	19829	19525	20291	23535	31081	39865	37457	19640	23570	37257	40121	44373	44960	42878	40201	45061	34399	53183	50088	55944	60432	25487	31570	58469	54800	44632	44011	37438	42007	15830	22415	34966	40087	31094	34656	48619	40803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
501.7776@0.86142176	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113770	119756	103813	97569	75067	70854	126876	124965	132890	140921	101899	105878	39375	49431	72301	68665	130235	130759	134794	140226	100778	99040	47258	41284	69001	72073	99495	96689	38648	40581	43860	36653	45683	52864	40566	42889	45125	55499	64438	60426	119166	117153	64142	71465	90775	98701	106718	103347	130035	129941	83832	87037	114240	107704	125267	114624	14893	15424	16318	14311	13952	12831	15773	14770	12401	12310	13776	15303	12857	14640	15480	16045	19472	14336	11569	14411	11774	12415	15282	15378	16290	15046	20138	17343	14039	13082	15881	17086	11951	17223	17686	17333	13943	14621	15882	14093	9191	10079	13079	12572	15726	16659	12613	12732	12327	12062	7672	8093	8446	8126	7672	8804	9132	10272	10061	9253	9271	9370	11512	12373	8308	9816	8178	9218	8267	7811	10594	13262	11476	11401	11915	9272	11171	10910	14577	13838	7723	6856	11597	11280	8631	8718	11145	11858	10168	10859	9035	12113	10739	11954	10151	10553
877.7111@0.84998167	20065	27219	31140	25146	22211	21437	35775	34987	30756	27082	23151	22560	21421	25117	27352	23480	27778	33669	25146	28262	17153	21578	32229	28618	24387	23903	20588	23950	28863	32056	12783	14668	10182	8604	13226	9217	13035	12252	7196	9253	15572	13493	6972	12187	13294	11134	14935	11778	14123	10878	1	7042	12032	11155	12809	16050	13718	17197	29086	31149	27382	27142	51355	53266	20190	22352	27910	28671	24565	15274	57460	56378	20304	17973	17758	19787	26264	24992	21737	26132	34831	35842	31807	35821	18810	24568	47063	53139	44412	42483	40150	50269	29565	25912	54896	48177	47951	47767	27115	23557	46099	43292	29427	27334	27221	24841	16475	17682	28236	25951	25300	23177	30624	37992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H40 N2 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16525	14059	19120	18553	29287	30844	14472	12898	16193	16944	12965	13110	37920	37462	6295	8181	11693	11388	14400	13672	21061	21418	36713	36713	34488	32491	14399	15073	35233	34156	33544	33571	36696	33086	7197	11024	40792	38441	38262	37185	12534	13508	33758	35055	22057	23636	24634	25246	8632	9130	19102	19562	18658	19384	35232	26211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-Glutamyl-?-cyanoalanine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16467	16437	11221	10553	26470	25759	10144	9905	1	1	6989	7337	28657	27236	16448	13196	6315	7586	17279	15909	16053	17341	24533	22469	40477	37470	8889	6108	48119	50429	42575	34962	28172	33235	6914	7300	29781	31506	39638	40895	13217	13829	25046	27868	15887	15377	13899	14873	1	1	20559	22581	20435	19721	18814	15652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.8187@0.8639287	58438	56139	41952	53083	45056	46995	44288	49322	57152	52320	45009	47677	48701	50337	28152	35211	56448	48415	49037	44088	46864	41836	36692	40731	50852	49833	41032	44905	40468	42000	63504	67979	72898	85664	73910	68142	73106	68366	53758	57923	71645	73963	53387	61995	51742	46551	54964	50540	72775	71411	30481	30883	58568	54383	83224	86899	79351	88834	66019	80741	59167	65340	64691	51812	83504	85479	90855	83359	66878	68369	51134	51218	40790	41523	84316	92532	83654	92976	69653	63384	35988	32331	47215	47688	51107	48246	55341	46463	39820	40750	44717	44455	31063	21268	42252	42095	46820	45228	62457	55414	46530	50863	53498	61211	66685	45189	68614	97382	28814	33111	72420	62306	72608	80260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone nullnullnull 10.322484	39811	62524	41466	45360	53422	52378	39095	35913	52122	47628	58199	69988	64827	53545	33066	72637	105452	54428	77439	45786	64522	67464	49405	47830	52888	52153	49364	54293	52449	29792	49701	53208	53099	14425	24745	51953	62698	62419	52673	64225	76696	76659	55065	57024	56063	51270	79179	64505	35855	30883	22146	23700	92816	85959	39927	34272	76686	85411	23704	27817	40946	36025	22965	17235	37345	35176	14961	13766	21871	23259	24760	23641	40036	38248	34896	32896	35668	35941	68773	78484	115373	70333	50033	42683	32405	36560	17463	16515	23246	19833	21643	21706	32891	41491	31306	29727	46430	43902	61890	66876	37327	41231	49513	48894	67969	54982	22527	23131	69883	65254	35006	38740	450073	48201	47908	50164	55648	55528	85168	92190	41453	45270	34751	38945	40954	39269	45556	44078	44157	43950	41882	43717	45336	47446	50409	48125	51424	49372	30899	32305	31896	32047	12085	31044	43894	42643	38867	40236	31238	28129	51520	54261	38276	36916	125300	120135	33640	33510	83705	75500	36101	36903	49562	45499	32004	41821	38667	42103	56401	58825	48435	48731	51589	45505	81653	71819	107707	96249	32730	31101	35946	35316	44111	39594	24691	50450	65105	63332	54080	60119	27254	46788	43987	36620	22316	23114	25011	24282	44199	39783	88789	23493	51651	20922	52794	44693	46373	40999	25745	23692
848.2055@1.5620002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16799	13406	1	1	1	1	1	1	1	1	1	1	35275	34234	1	1	45041	44076	1	1	1	8477	1	1	17133	15839	41363	43859	1	1	10214	8527	1	1	1	1	1	1	24902	24493	11782	10948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
608.6548@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	42966	48539	46798	29452	38238	60236	59153	60042	55526	53070	52071	21498	25678	33704	25976	56594	51202	52840	59991	47379	52925	26135	26306	33060	34840	53432	51899	22400	22050	21857	24032	24299	23201	26963	26206	24087	29948	29186	34772	49436	51577	37711	35030	39652	41232	53098	45823	52400	53251	42471	39246	53864	54168	48456	47373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.8327@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14240	13521	17918	16224	22117	22430	13449	9503	21135	22163	1	14031	23155	29685	1	6933	11672	11919	15920	14277	17154	19517	29055	25187	24572	20461	7705	8920	27187	21179	30197	24161	19321	24452	11539	10161	26747	26157	29738	24823	11455	15006	19062	19840	12853	14928	21721	16245	9945	11854	16217	17462	14920	10643	20103	15134	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
189.9558@1.2486464	34357	28029	44257	41621	29293	28434	43810	40156	38446	35887	22861	27867	28512	31304	30592	31236	27526	46405	31403	35732	24176	32626	36729	36367	31334	24791	35626	33586	48684	43878	9402	9682	9121	10879	6227	6577	10491	9524	9674	10118	10700	9046	12351	13614	1	1	12990	11593	6558	6117	1	1	13500	13374	6901	6835	9839	9498	17656	16294	19228	18768	34272	31426	15082	14581	19627	21506	17271	16797	49339	49679	8916	9135	13827	13361	9969	11680	14642	14868	26247	35833	27544	29335	11175	15235	45618	30907	29903	25249	27850	34782	33572	22717	58245	50483	44024	45722	20285	23516	41180	34463	26118	24057	32990	29514	16218	17846	20041	21712	18615	21801	1	14149	29945	25952	22313	26437	32314	28367	36070	32617	23146	21585	30578	29974	27450	25915	31220	32098	30797	28931	35707	34240	29628	27450	28614	33135	31388	34712	30736	32549	32246	32570	25914	26692	26042	24627	18940	19800	30552	26789	26751	21946	30004	27412	23231	23280	41611	36768	33022	33816	22713	26721	1	1	1	1	1	1	1	1	12754	9229	7258	7204	1	1	1	1	1	7238	1	1	1	8232	12990	14289	1	1	8287	8742	11877	13865	1	1	7038	9746	1	1	7630	8409	1	1	7376	7202	8407	10085	7768	7873
Deoxy-5-methylcytidylate	48677	46477	63194	62562	26922	29524	71159	77110	55948	55208	29368	26255	36677	39497	42055	41634	46891	47286	36800	35015	22084	20807	77315	84019	36480	41869	29652	33003	74366	73677	30479	29255	63678	63579	36633	38383	32268	27286	80257	83178	31378	36024	37955	38037	36875	34407	71630	78903	14128	17457	14412	12953	79662	77290	15429	17501	64735	66619	22470	20635	12826	11559	16889	16591	13086	12194	13135	13429	7066	1	19952	20726	10781	9526	19832	18775	20948	21410	16410	13248	13411	12507	16749	17414	7599	7707	21580	25293	19877	22834	17445	18005	1	1	19265	22233	25281	23520	23069	24104	26992	25717	14316	14129	16527	19084	13354	10938	26378	27197	22837	24815	29266	22030	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.7436@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13065	21915	15328	20250	31721	32314	19150	20295	9959	11902	10999	16398	40340	34400	1	11904	16044	20475	21950	11423	18903	25076	35910	35660	38646	32681	16470	14558	38659	44933	30922	40099	38664	31541	16638	19152	30970	31584	30786	30049	15365	15813	26299	28402	15751	20839	25135	25462	15810	14661	14855	21494	21535	18601	23714	29573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1053.7284@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23692	27624	28624	20681	34564	34883	24555	26132	20123	21281	23739	18314	31414	32878	28800	28758	31076	25162	25823	15665	12645	11113	20001	19275	23313	34137	20380	17942	35282	35072	43034	39674	47856	40351	55689	47244	55340	51219	52623	51823	34057	29544	57616	52926	38858	45807	40434	47837	32877	26164	35080	29422	33003	33377	53566	45349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.138999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38583	28688	30135	33122	43330	31476	37785	34879	19957	18063	38887	40999	44056	34237	23148	21864	22631	19173	19392	18716	23974	25747	46251	33403	28613	21305	21433	21962	20635	20377	18434	19355	58155	23653	18837	53511	26600	20667	26394	23151	25561	20967	29979	27121	22039	19020	34848	21947	26073	19994	27302	26990	22409	19637	53562	51974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
590.6811@0.87340057	21764	25633	23185	23596	21873	24184	24029	24314	21275	24372	24558	22557	27944	26754	20241	26949	28871	23621	22733	22579	25056	21484	25515	22984	24903	22579	27260	22764	23745	30708	32374	31968	34183	32882	31589	31194	27938	30052	25707	28511	37679	35309	30474	25226	29999	26272	31889	33081	19531	19367	10604	14995	32014	27994	14864	12636	40362	44124	30745	32285	35208	34923	28014	29217	44656	43573	41644	36721	40495	39404	31702	26049	27330	24063	45761	43334	42120	34928	32570	35831	31120	26444	29317	33558	38207	35846	21461	21218	22554	27649	24661	25572	22268	19194	24326	25156	26177	28818	40037	42952	33400	29254	32325	35338	37186	35591	49861	47320	32499	38123	39880	39263	39535	46784	31769	34039	36327	34139	25946	22065	35547	35539	29484	28836	35853	36469	36264	38399	35803	35583	35563	34929	37461	38854	37012	35066	38186	39359	37671	37302	42112	38917	37446	32534	36969	39292	33036	34675	35129	35307	41338	38479	34054	36777	22258	20812	32246	31830	24772	26464	38718	37425	31537	33297	8238	9293	9958	11407	9627	11063	15320	14282	13316	14536	10721	10370	22600	24302	11405	10393	12799	13289	8561	8603	15919	15733	12555	11799	13118	14958	12365	13882	17389	16069	12240	12577	13124	14121	11464	10304	15188	15744	20202	20809	15869	15086	15017	14600	15789	14117
1052.071@0.8590001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10006	7153	6731	7725	14369	10420	6885	6575	11281	11598	1	6174	14657	14757	1	7458	8759	11198	8975	8457	1	7581	14081	12374	8341	14504	1	9733	16714	13702	45996	10011	8110	6738	1	1	19252	18556	18312	9397	1	8852	13089	12677	8970	12632	8566	12438	9530	10704	8596	9573	10927	8467	11029	11044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
605.7653@0.89196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47184	47802	40593	30768	29675	33700	52167	47884	52677	50429	42510	45215	33043	33051	27067	25832	62635	62223	54912	47114	28630	28443	1	1	24580	24610	35625	39478	12426	11539	19133	18384	24890	30064	6925	10660	24766	19475	26786	34340	43639	48346	27274	28061	36667	37888	42957	44768	64849	59246	33941	27524	45885	44332	61985	51751	90390	86934	102538	99817	94168	93851	113596	112424	89775	84882	110466	103564	101665	102957	88363	92923	105341	106498	97431	96410	90072	96055	114464	114295	106681	99192	121629	114989	100082	96938	115372	119338	97588	98955	103634	103069	128723	121271	100067	100725	73658	76680	90806	87358	106135	104431	98772	103337	81368	80493	39830	40489	48208	42779	42943	43427	56866	61304	53461	56888	52439	48071	65077	67043	44709	48229	54579	56656	42365	43088	63868	67336	68550	66906	54559	58103	57645	57379	81295	86718	49354	46536	67604	67431	48908	43138	63634	62452	53164	57380	62531	58369	57730	64035	57938	55854
308.121@0.9939997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9857	9263	11971	10857	27301	25820	1	1	10283	11614	21950	18458	47717	48248	1	1	1	8754	1	1	1	1	43549	40292	28627	32639	19905	20337	35694	34667	26562	28749	45867	46178	10432	15182	43969	43755	43105	41321	1	1	28082	29595	10587	9016	15802	14245	12916	13747	13095	14104	10393	10809	16924	16935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1149.7736@0.83879906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15039	17989	14308	15163	12342	12542	15761	17874	18268	18979	19853	20313	8697	10523	37820	37390	46314	43252	23197	9551	1	9684	12033	1	14238	16068	16497	18832	12031	9790	12324	12808	13175	15501	15585	18983	12621	13339	20681	17635	46610	42043	23198	20908	30565	32348	33910	36355	48015	42948	28505	38252	38190	35270	47840	33447	17834	20034	17996	17087	18580	20666	15942	18347	18720	17111	16836	20076	13859	19954	20758	18252	18073	20266	17462	17232	15949	15675	19385	18614	18953	17520	18195	16890	20105	13616	14451	15336	18572	19506	17869	15340	16995	19596	18874	15263	15927	17894	16207	14438	19820	21274	19345	16661	10137	12673	25813	25250	24010	23490	25540	23336	21173	20696	23498	22271	27275	24987	28532	26561	28285	28395	30794	29769	22887	24777	30258	27041	21567	18810	28264	28340	28295	28165	23193	24117	27183	26890	25101	26420	26606	28406	30071	28525	23372	18338	29925	28086	25588	28146	27012	26879
557.2758@9.464997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12095	45093	21657	18135	18065	7699	7132	1	1	1	1	1	1	1	7003	11911	9033	15660	14769	9058	1	18265	16762	1	1	1	9378	1	1	19410	18190	9228	10387	21215	18965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
292.0433@1.3600001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27899	28913	1	1	1	1	1	1	1	1	26939	20376	24707	23871	1	1	32336	33629	46595	45534	25238	25465	1	1	22793	25388	43937	42910	1	1	26587	29853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Guanine	37461	35465	23667	23610	19703	19826	18378	19271	28701	28012	17880	13995	19957	19234	12175	14220	33515	35090	24491	19030	50148	53330	14299	14681	15836	15368	23560	27579	38739	35565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8599	7957	12966	12889	39290	44133	8399	6823	12618	11781	10116	12486	26641	26199	8891	10527	7689	8667	1	1	9322	14250	26388	24116	38632	42049	7241	7291	42893	46194	26290	23920	16613	19244	1	6267	29644	32536	30257	31785	8562	7353	30949	32967	13639	17011	8885	11160	8750	9875	9123	9428	12986	14490	14336	14563	1	1	1	1	1	1	1	1	1	1	1	1	6476	1	1	1	1	1	1	1	7894	9680	6308	6277	1	1	1	1	1	6392	1	1	1	1	1	1	1	1	1	1	8210	7658	1	1	1	1	1	1	1	1	100817	102498	163136	158622	130222	127606	127542	131233	171292	166472	184951	177444	261460	258668	143140	139642	163749	161734	103544	100605	247153	241967	179146	170882	140801	141780	225326	216530	220357	219027	117693	111928	187298	182258	111259	113677	213902	215091	117397	124652	213476	208375	251520	250916	170050	169027
C27 H45 O7	248223	192891	27750	45203	21548	18249	18252	1	84291	41266	72313	80889	256166	87451	252874	141329	718700	103836	219268	102976	131954	171527	11938	9213	58604	17938	33356	13672	23922	1	8830	1	9655	10090	1	1	10803	1	345172	192776	13947	11175	11858	11504	48915	52383	133275	52409	1	1	1	1	193271	44559	1	1	22327	21837	20448	1	1	1	52398	9149	11587	1	1	1	14341	1	25135	1	1	1	1	1	1	1	65541	42773	418364	108930	32458	10017	10938	1	1	1	1	1	23649	10774	1	1	43037	1	40385	1	18734	1	93606	43596	1	1	97949	14492	1	1	49929	19044	1	12568	62549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H24 N9 O17 nullnullnull 13.402473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32308	15769	22860	21712	29703	19340	20372	16328	23651	26988	15406	23858	43527	17292	13390	15970	32466	21618	12156	24609	11914	19452	86280	1	55651	67365	24037	1	26227	1	1	1	35619	77554	13961	14452	26217	35583	34951	10353	14895	12796	17318	25921	24287	33023	1	1	1	1	11839	16989	11432	21739	51518	12971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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N-benzylideneaniline n-oxide	2.32E+07	2.33E+07	3.01E+07	3.05E+07	2.17E+07	2.14E+07	3.03E+07	3.11E+07	2.95E+07	22719	2.27E+07	2.27E+07	2.45E+07	2.45E+07	2.44E+07	2.39E+07	21644	2.83E+07	2.71E+07	2.68E+07	2.05E+07	2.13E+07	3.35E+07	12295	2.78E+07	2.88E+07	2.54E+07	2.52E+07	3.31E+07	3.35E+07	7000	10293	26642	26150	12932	14664	64494	59864	14335	13407	9247	9378	12884	10345	8603	9516	11897	12302	1	5965	1	1	6865	9363	1	1	6896	6464	21712	19335	19802	20729	38066	42060	19651	18443	15183	17119	15020	13621	55377	50134	14478	17430	11922	14878	23575	19842	22959	23954	47427	39470	42936	41143	19579	17566	68741	71677	55228	50329	53190	55931	13026	114748	58210	56991	55163	61075	22475	21414	54993	56789	27604	31590	33894	30947	11770	10870	28187	30935	25581	27801	52803	35064	2551536	2520979	2306288	2328656	2781189	2832332	5770860	5743909	1782305	1785040	6625843	6674432	1840075	1871666	7621427	7621138	2346113	2358708	7583534	7613864	3020073	2978392	2934673	2941778	6867745	7003299	8217452	8206132	7041298	6948800	2465980	2444746	2241515	2263899	2344891	2336697	7146096	7218434	2520730	2535627	3614377	3539288	1936722	1952138	4599507	4574490	7123420	7196744	2415361	2463766	1	1	1	1	1	1	1	1	1	1	1	1	9170	7861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C18 H32 N4 O18 S2	19517	20072	25929	25642	21698	18946	31138	28050	32272	31310	20889	19490	28610	28672	30638	28785	20042	18248	28087	24629	7495	8434	35292	36868	15448	16241	18258	18068	21704	24959	6879	7585	10953	10786	13609	14663	9191	10573	17865	19279	15438	13012	10184	11205	8879	7445	12603	12375	1	1	1	1	23159	21880	1	1	16455	16890	11602	11571	12895	13319	39546	38119	9186	8206	1	1	8751	8683	43941	42132	1	1	8452	6847	7485	7043	12305	11050	34257	30544	29325	27899	9291	8453	43938	42427	37855	39757	37693	37044	1	1	40816	41498	33486	34934	10405	10475	34949	34547	9489	9821	17903	17907	6948	6191	9882	9302	10514	9682	11349	12010	16034	17375	19612	19474	17304	16990	21694	22523	10463	10243	15575	15899	21802	22258	19913	19863	21465	19812	21456	23610	19270	20623	17639	15188	17945	16280	21630	21062	14116	16694	15051	14326	17756	16633	15427	15430	19455	19758	17105	16619	22777	21946	14876	15965	27319	28054	14828	14951	17109	15759	1	1	1	1	1	1	1	1	1	1	7569	7784	7768	8547	1	6084	10023	10235	1	1	8431	7875	1	1	10777	9030	7632	6638	1	1	1	1	1	1	1	1	6417	7489	1	1	1	1	10931	10918	1	1
Dihydrosafrole nullnullnull 5.2839975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10414	15969	31740	34118	11356	13104	19506	11363	1	1	12889	18576	26036	26928	26487	27997	18099	13842	15031	12763	44119	43557	73769	91188	72655	80648	30392	29512	35002	36034	36730	37860	29194	29577	35877	26492	54408	52222	67885	73722	27585	34670	74509	66093	34820	47864	44005	36605	21677	56028	86097	66728	44111	29870	22167	40049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.1597447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52134	1	88378	83338	1	21260	18742	60569	1	1	51392	53483	72872	86153	116645	102179	120630	114190	14344	120785	199541	250993	163420	171671	284020	280392	189237	113613	123418	105441	172193	115350	141946	142619	86072	101715	174309	193744	257076	282267	316911	131534	254977	238081	128578	125305	115409	175467	105404	53531	413727	259555	146656	144699	144540	145644	1	47067	1	63353	51419	48266	86823	82715	1	1	1	1	1	1	75777	1	56475	1	1	45500	1	41727	1	41453	37790	1	45699	85445	1	45232	1	1	1	33997	1	1	1	107031	1	1	131391	115397	1	1	80904	45197	150499	296271	64853	79561	1	1	1	1	1	37565	1	1	1	1	1	1	90409	30232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	96540	1	1	1	72959	33900	1	1	1	1	1	1	1	1
206.039@1.2469999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15523	14780	1	1	1	1	1	1	18551	19385	1	1	1	1	1	9471	1	1	14813	13186	8359	12074	1	1	36234	33626	19444	26209	12821	14447	1	1	21032	28238	18857	21718	1	1	22690	20884	1	1	1	1	1	10226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
407.0265@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27548	28690	1	1	1	10372	1	1	1	1	12348	13157	11136	10092	12601	11238	7973	1	12671	9264	8903	8743	30073	27249	17016	18714	11370	12719	39887	41674	31229	34551	12501	12809	11318	14577	16815	19323	19438	21490	1	1	12823	15684	15120	15167	15251	15222	11513	9668	16702	21070	24699	20398	27908	19025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.1539@10.623997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12013	12039	25649	24188	24708	24597	1	1	8287	9038	9258	9657	12214	11359	1	8269	16203	14468	29521	29661	1	1	13268	12744	1	1	10605	12034	1	1	18778	15851	1	1	9377	11527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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471.7745@0.86515635	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34119	32936	33151	26660	30677	26713	38467	45220	41896	45660	35371	38961	24967	30396	19125	14361	36785	42206	40771	53355	32084	42645	25257	23207	26671	24506	30677	28869	23482	27674	25451	16945	30086	30126	12505	12951	23957	29624	25596	24556	31905	33109	22570	25843	24298	28626	29589	27593	39280	46342	19926	24755	33564	30563	26578	24971	52829	54186	58823	55935	39652	39350	58291	56270	52348	54572	61612	53857	56489	58265	53434	53796	51384	55327	53101	53048	54770	57528	62403	58600	56629	57358	59226	57796	55308	54821	61454	62334	54237	53242	55950	56318	57234	67018	58445	58164	33322	33888	53264	56629	37651	40513	53032	58222	59914	58751	21098	22260	25053	21172	21987	19135	34759	30683	20747	23150	24184	24445	37488	39469	26217	20925	22672	21935	22974	23139	23955	23517	21968	23775	24356	26161	22448	24915	26995	27111	23520	24445	22452	24066	25203	25153	26801	25580	43198	41370	25546	25028	21302	25174	25498	25552
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C11 H S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37461	37335	35870	35614	62026	63509	25544	27552	31098	24500	20845	25011	71073	71921	28295	23351	20148	26367	29670	20324	26386	27217	53166	52527	54848	55276	19662	22085	58790	61042	60315	59543	63211	65875	33178	38706	69993	72619	71422	71344	31322	31802	66574	62717	41696	44624	42657	35839	20190	21607	38902	41490	39306	36241	42257	43210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Chaetocin nullnullnull 11.650002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40742	51932	23794	40175	47785	39996	1	52156	49026	44203	50894	45980	1	37207	37928	31985	24796	19991	20315	29626	32514	29634	52497	29466	28546	27438	29522	27582	27404	27625	25450	29196	26206	1	30104	28666	33334	24450	30577	29692	37946	35428	30139	32771	25569	29582	35836	29889	27477	30696	34265	28695	27225	21263	61027	25204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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L-Aspartic Acid nullnullnull 0.88600045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55316	53986	66914	66293	54959	57473	51786	49984	23313	18482	53713	52141	74960	73227	101131	98739	34426	34816	54830	34303	13256	13000	57240	56467	64011	66613	41410	48670	119939	125281	80669	83230	88399	91795	78887	84033	88697	97248	8813	94318	49332	47751	7311	71204	75273	72681	24101	23551	47205	44832	132648	127823	71958	70330	33784	29794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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430.7827@0.8732424	42793	39446	39884	41102	37648	36048	40869	45445	48556	43483	37649	40335	43658	40407	35624	35465	43588	39853	41326	41348	31378	33821	38916	40763	41678	36800	34049	38002	39379	40684	15672	10156	23371	17280	15275	19113	9449	18494	21690	19765	23220	18697	11311	7692	6575	8867	16734	18795	1	1	1	1	15914	22474	1	1	22600	23415	29168	30891	33676	38138	34337	32841	32478	32717	36566	40411	26459	25579	30025	33586	20604	19868	34377	28719	28021	32211	32659	39511	30612	26442	34234	28954	28423	23440	22807	23438	20611	19527	24036	26481	26338	20017	25399	28743	24701	34573	30569	29194	28984	33049	34905	29376	34235	35433	24959	27174	31307	34681	34881	30450	40985	37521	10348	9872	10233	10220	10372	11670	11903	11813	8737	8071	14685	12727	13150	10803	12506	13671	11977	10189	15434	14031	10307	12757	14728	12992	11962	12664	10696	15143	11924	13066	8530	9794	8814	8352	7485	8511	12373	13219	12203	8312	11361	11384	7390	1	16346	16083	12125	12215	6426	7313	1	1	1	1	1	1	1	1	9576	9539	1	1	8182	6687	1	1	6426	6631	1	1	10838	9078	14973	14283	1	1	10169	11264	15357	11359	1	1	10071	12800	1	1	11485	12592	1	1	9918	8207	12532	13866	11723	9444
864.83@0.8394572	38916	44528	40745	42295	51474	55827	35836	33805	39718	40780	53084	50950	41230	44804	38900	38026	38234	35637	41001	46346	51532	46308	36112	31784	53544	49804	42546	50036	42782	32921	44824	46922	45758	53591	49878	50438	50837	45460	56572	52496	46505	53233	44229	50280	45293	49030	54593	52668	40441	48489	50909	53505	65458	61471	42815	44520	60258	56852	27716	28991	27687	28733	23595	23761	30011	32125	32156	26507	26378	29295	14199	14975	42630	41916	44999	45841	32928	13758	12547	9522	14360	15644	19385	21953	24420	27427	21801	20045	18807	24320	25408	19359	30100	31396	26206	19908	27767	29232	48890	46151	30047	32113	45656	38515	42208	39585	44490	45563	43914	45240	43096	41084	52909	44097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
474.7708@0.8709995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58163	58051	59215	62509	40179	42653	76397	82834	82881	78771	71595	68353	48985	46163	40310	45987	82746	78470	85523	80093	59260	60555	35523	33612	39154	45450	65547	65778	39041	46795	36999	37602	37560	40352	25725	27840	40264	38807	40090	37487	73301	69062	40516	44350	57371	49526	60169	57595	79798	79734	53347	56778	67884	60701	70700	62827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H2 N2 O11 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54178	53531	49808	44315	45080	48326	48523	50182	49164	44591	36856	40325	50820	44218	34705	33936	42646	41826	47330	41636	40056	39406	40408	40212	47934	44218	29973	31283	34775	36338	35040	28401	41261	37088	22620	31587	45634	42873	52487	49690	49890	53323	47263	47779	49928	54081	47953	49669	32855	40616	43460	49825	53391	50950	64324	50950	20558	26650	21056	20330	17163	17664	22799	23028	20677	22695	21170	19672	20791	21969	19804	23433	24419	21163	24292	23237	22367	20535	25707	21427	21054	22383	21300	24684	21088	22785	27076	24203	20413	19404	22634	20483	23570	24542	24885	21669	17402	18029	20610	23752	18945	17512	21924	23745	23710	22032	14831	15276	13231	15070	13727	15369	17443	18391	19620	19845	13986	15475	21456	21787	14551	15891	15798	16170	14378	16592	18566	15953	19905	18725	17853	14161	16254	19553	23343	22512	15767	16679	19390	19516	14976	17231	16876	16155	15539	21090	14993	18300	18317	14117	18572	16916
> limit nullnullnull 1.1569387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57033	1	54859	1	23792	1	1	1	1	1	1	1	1	29660	39285	58191	58163	55074	255751	64261	64823	62145	63274	1	142322	53524	73707	177065	1	794999	65670	89028	86737	35019	97192	59627	119667	136927	52440	54944	52763	56729	56051	65879	63583	57615	48748	53870	51644	369850	33396	50574	64112	56029	51190	10309	1	36762	31111	1	1	22380	29178	9323	1	31360	32306	15956	27084	35094	33322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35440	23292	1	1	1	1	1	35295	1	1	1	1	1	1	29344	24918	1	1	1	1	90461	1	1	1	34333	37163	18440	16336	20950	23897	1	1	18403	20419	22210	3962	1	1	21895	20331	1	1	29702	23272	1	1	18632	27128	17525	22136	33861	18158
161.9231@0.85949165	58657	54355	60313	59877	55533	58451	52015	57308	60696	60945	56893	56177	60446	63422	49323	43664	57914	53418	58156	55183	56111	51863	43894	48476	52086	55833	55869	55775	50160	50204	56689	43714	51340	44327	43106	50140	55861	51984	47537	52099	53979	57711	45456	48823	36540	39203	41992	46308	39865	37226	36689	31922	53235	49366	51360	52303	55089	44133	23041	23435	24296	26439	15832	15657	30880	30416	28972	34864	28910	31876	10589	12245	16611	15146	24887	29330	31938	43139	35292	32708	14966	15068	20079	17507	29237	27640	6903	7833	10478	8928	10839	10407	10539	8805	10479	10555	12688	13978	27559	23775	13456	13877	21359	20662	20613	21463	26369	28015	20533	21050	21615	22742	21495	25264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
573.8404@0.8498293	38074	37568	41710	40920	40380	40861	40752	38379	37006	39793	38403	40214	40145	43060	35076	40240	43400	38798	38622	37669	37139	39446	37148	38652	42973	37576	41453	41197	37659	41238	42974	38526	46531	42095	44369	41942	42146	43214	40911	43006	45123	42823	36795	42605	42265	41790	44153	40105	41793	42742	24175	20778	42098	37110	45029	44259	46741	42920	47759	45141	35511	44173	37879	34272	46669	47395	41305	46004	45757	41120	28771	26708	31070	33469	44991	42466	41262	41915	33603	33422	28687	31212	33618	31521	41944	39103	24810	21746	33565	28853	30469	31381	30981	26570	36296	36748	37297	37836	45147	46103	40706	38467	46285	47049	46790	49051	42328	44169	42943	45030	43840	42828	45078	43938	18882	21635	22912	25240	17808	16876	21103	19376	21432	24422	24003	22479	19322	19035	18256	20901	23649	21657	18916	20973	22740	22839	20178	23595	18720	20597	23099	21763	21859	16564	19521	20327	22959	23204	21550	24918	22668	21048	23824	23084	13801	12401	23566	23839	16126	16087	20381	19561	22634	21513	11371	9225	12047	12670	12328	10755	19484	18218	11836	12423	11491	12176	15309	14144	13662	13379	11820	11279	13491	15274	11285	10396	10846	9542	12473	13970	11842	9527	13512	14465	11602	13380	10863	10726	12925	11389	9440	11334	23417	21828	11823	10755	10972	10360	13202	9350
919.0662@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15412	13902	1	1	1	1	1	1	17018	16890	1	1	1	1	1	1	1	1	9426	13037	1	6262	1	1	31974	31041	22248	24052	14944	14697	1	1	21308	21496	12383	12087	1	1	8760	8117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.8314@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19270	19134	18326	20979	14643	13907	20182	21804	23174	19026	17473	18484	6516	10375	23418	19910	19821	25306	23264	11348	10100	12265	6315	8822	1	14398	19697	24728	13944	9397	8986	14090	17316	15056	11951	19916	15887	16985	19743	17913	28404	27127	17510	22751	23429	26122	23922	26628	24563	27759	24146	24116	26224	26255	33620	25090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
593.5476@0.8637692	28630	31951	32858	33048	30744	31726	34200	29987	33417	32127	33765	31823	25948	32695	28022	29296	33936	36668	31428	33811	32677	29359	31291	30999	35308	34622	38231	32961	36362	34256	14716	15154	11299	17347	13349	13860	13937	14463	17340	22181	13326	14449	11239	9471	12738	13115	14213	14906	12497	13948	1	9808	21357	10855	14853	14224	19158	18314	16059	17012	17838	19188	17517	15708	18079	16303	19866	21469	19189	22029	14601	12972	18593	15959	24728	23450	19538	14027	16536	15247	13506	11879	15763	18025	18296	22960	21609	20638	15263	13890	15393	11842	18056	14552	17292	15679	14540	17296	26540	25302	16711	15038	20795	25616	25790	23749	24694	24322	24304	25562	22493	20478	26866	24905	1	1	1	1	1	1	5639	1	1	1	1	5763	1	1	1	8115	1	1	1	8046	1	1	1	1	1	6226	5955	7033	1	1	1	1	1	1	1	1	5921	6363	1	1	1	5828	1	1	6518	6357	5772	1	1	1	1	1	1	1	1	1	1	1	5543	6451	1	1	1	6147	1	1	1	1	1	1	7382	7722	9155	8416	1	1	9100	8168	8099	9218	1	1	6178	7721	1	1	7898	7039	1	1	6520	7823	9704	9192	7477	7574
276.0487@1.2999363	1	1	1	1	1	1	122410	1	1	1	1	79991	148954	106913	80913	78879	162063	1	131880	127300	98898	81280	79097	82198	103400	106754	154060	163472	191257	188950	1	1	1	1	9870	9379	1	1	11325	11823	1	7029	1	1	1	1	6993	8624	1	1	1	1	14988	16379	1	1	8720	10121	17447	17045	13987	11234	34922	37275	17536	20426	15900	17143	9603	11087	23561	22247	10624	10571	12777	11204	10171	10897	16283	17456	25485	22549	30333	32133	9936	10835	31777	31215	27677	34314	22992	21321	10428	10025	35582	33539	29007	30207	17823	18113	39611	42653	17158	15743	14888	15297	15133	16085	14832	13368	10526	9348	17090	17954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7389	7320	1	1	7328	1	1	1	1	1	1	7446	1	1	8349	1	8061	8293	7177	7374	1	1	1	1	12149	11858	7756	7412	11654	10007	1	1	11323	10718	1	1	16554	15434	11605	11669	8785	8248	26214	25078	14872	13695	6985	7789	12818	13528	6501	1	11675	13178	1	1	13254	16392	20331	18182	14277	13303
450.7486@0.87254465	19258	18478	18340	21433	15826	18720	16721	20337	23513	19259	14907	13444	18908	14766	18346	14260	16836	17973	17142	12850	15920	13333	20956	21904	19109	15641	17943	15810	20492	22404	10955	9045	7441	9657	8287	8645	10904	9444	9298	8179	9778	12032	9006	9514	11073	10678	12884	7581	14656	15120	1	1	9022	5805	13757	10680	9592	8620	24991	23035	28481	26122	37200	35206	20308	22276	22981	19460	18940	24353	35009	30946	13622	13837	17365	17146	20953	29541	27950	29914	37291	37293	30461	39191	15102	16886	29741	26753	31828	30852	32016	32228	20623	21204	34196	31076	36374	35212	23607	15247	32827	29635	25916	23608	24995	24594	12909	11489	24947	21814	23674	21298	25776	26989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1666@10.737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8503	9154	1	1	1	1	1	6754	1	1	1	1	1	9924	8239	1	1	8351	9724	10616	24255	10407	11808	9951	9883	7962	1	1	9079	11503	1	1	1	1	13893	11230	9832	10193	15821	11084	1	8132	1	1	12205	7956	7548	8339	13099	14777	10659	10868	68583	12919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1057.7289@0.84449214	49563	43555	43196	44732	46929	42386	38749	43955	44355	40997	42720	40187	46207	45209	41012	36822	45477	48375	45581	39023	38070	39394	37032	42779	45362	45589	45083	47678	45636	43277	18150	15225	19897	13810	17341	19092	18060	14757	19192	18421	21668	19526	18637	14069	18508	13066	13859	21025	16167	12589	10702	13074	22960	21226	19919	16852	17966	13915	32890	39932	39652	32913	34373	31978	40468	32402	34039	40629	33287	28441	27202	25130	35592	37152	43120	41665	34949	18812	14952	23295	21165	20503	25654	31842	28125	30894	31113	28732	31825	33025	31344	32251	35060	33998	37265	37254	42264	44491	49991	48123	47660	45023	51009	52375	46687	53620	31849	34438	54900	50116	49658	43057	47390	52720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9819996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14338	15501	18231	20033	56965	53854	9192	10213	12218	11923	7582	8943	101189	102511	1	1	6266	1	9639	8793	25189	20233	71813	73021	58317	59484	10031	9281	105418	102089	85260	83616	83663	81171	5847	6914	81566	80283	66343	70838	6938	6930	47102	47156	19679	19668	19931	20860	1	1	15792	15757	14133	12703	26385	26974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.8399@0.8374172	29651	28702	26496	25195	42448	41051	18923	21955	25982	24807	39304	38543	35943	36959	29799	29511	23132	19271	27472	29324	40732	43720	19516	16251	34019	39648	36532	30570	21973	21966	62392	58712	55590	57879	61782	56919	58588	53653	63860	65494	59433	57068	51982	55238	58020	54523	65152	63064	49967	52698	63020	59099	72292	68154	46479	53298	67451	65784	15131	14728	16229	18382	10578	11548	21221	19216	19667	20624	14822	18678	10094	10756	33269	31156	37548	32193	23464	1	1	1	11748	10654	11300	1	10830	16417	12467	12969	12465	12116	12500	12235	10293	11628	13626	14289	11040	16103	37903	32210	14215	12997	25181	25767	23140	23276	37185	40353	23550	25856	28446	29516	30138	24123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.0999@5.5444636	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12500	14339	1	1	1	1	1	1	16508	28691	16354	1	1	1	1	1	9784	13853	60140	34061	32279	30504	8065	10296	17589	17760	22216	28108	13234	14680	16365	12084	18669	15269	45709	27698	30639	31569	25491	24121	12254	19055	16157	15782	1	1	17499	58350	13534	9505	41704	22881	24447	1	1	9942	1	21270	21556	69412	1	1	27069	1	1	1	1	1	1	1	15988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48309	1	1	50724	15349	1	1	1	32052	1	1	22525	25547	24630	36066	17800	15025	1	1	1	1	18564	35970	43906	34678	36596	29434	16133	24274	10678	13943	1	16422	35154	22157	81407	11230	25115	21822	25445	24670	21526	15633	18867	25776	32037	19875	1	1	36386	7260	1	1	1	20307	1	36128	20745	25018
557.2744@9.303981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7523	10287	1	1	1	8601	12299	14335	43493	27535	22425	20606	8627	7985	1	1	8171	9139	1	1	10611	10835	12043	10588	19811	18495	10168	9667	18570	18228	8785	9515	16448	11365	1	1	21830	21104	12537	11044	26470	20559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23637	23424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15392	16584	10300	8611	1	1	1	1	1	1	1	1	13745	13117	18545	16183	1	1	8577	1	8615	7622	1	1	15724	14211	1	1	13893	9962	1	1	1	1	1	1	12100	12802
122.0374@6.3090005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9448	1	1	1	1	1	1	12982	1	1	10991	12441	1	1	1	1	1	1	1	1	16492	14483	30485	34059	33492	29434	28483	23137	25576	17956	31663	31625	24806	27103	23591	25758	26656	33170	25127	32865	139523	44336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1073.6992@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25971	30711	27173	28003	37924	31714	25073	27649	22955	29423	24554	22306	25983	30570	30943	28742	26919	32017	28303	17314	14394	16449	16237	22010	20213	29556	21650	20027	29022	32769	35409	30705	36190	35707	35509	39095	38166	40558	40631	42955	32037	35511	46112	50430	40767	37419	42960	43817	26500	28094	42386	38981	33532	39152	45159	39072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
355.7902@0.86699915	49243	46597	48572	48596	67624	64405	48497	38987	53525	43812	58690	60418	59885	53465	47466	48532	48041	50528	56295	51597	65821	59974	39326	42231	55205	53489	56972	52184	46532	47340	101981	102531	97325	101007	102410	105609	100312	103383	95127	95523	101583	103726	104131	99178	102459	99763	93199	96876	110630	115575	47683	50705	91230	92234	115488	116305	81957	90637	24270	26696	25571	23575	7745	7371	31615	29665	31661	35307	34841	35301	6516	5971	24046	25972	37159	36768	28142	26292	21773	19241	5626	8114	9599	9437	32420	32627	1	1	6130	6354	6209	6281	12266	11944	6508	1	9213	9211	35084	34421	11745	11336	24425	24251	26211	26393	43700	44780	29229	25712	29156	27537	23147	19660	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.9826@1.2463082	16727	15641	24705	19052	14503	12044	17774	18334	15110	15209	11153	10634	11649	12443	12140	10553	17683	19977	12328	11964	11819	10515	11560	13862	9940	11753	12508	11909	16473	18657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9268	7689	19962	21032	1	1	9100	9237	6605	7184	38940	38470	1	1	6143	1	1	1	1	6437	18226	21976	18378	16397	1	1	31025	30369	19516	20545	25950	31265	11962	8804	33429	31967	27025	24904	8178	6906	20546	22319	7908	7581	14645	16702	1	1	9492	11435	8218	7800	1	9769	12682	12980	10338	13169	16533	15726	15861	15859	7983	9956	15207	14049	12379	13849	17459	16734	15317	14530	20579	18060	14099	13494	16527	18176	15881	18266	14737	12567	16841	15349	12787	12316	10724	11214	7047	6599	13590	12201	10037	9545	15565	15025	7787	5982	22440	22985	17836	17849	9343	8756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Meloxicam	36018	35884	49082	45266	30481	28938	49034	45935	45525	42758	27198	26275	32490	33767	39169	37084	37228	33758	33630	35746	23904	24465	51879	48186	36868	41132	27497	29850	49324	50901	1	1	1	1	1	1	1	1	17894	16750	1	1	1	1	10775	12257	6510	1	5927	1	1	1	8473	9046	1	1	10739	9834	25155	23010	33588	35226	66523	68622	26765	24458	27840	25855	19631	20460	77799	79254	15808	15307	16861	15355	19800	18132	20890	24146	60373	64228	48111	52087	17057	16763	85542	93787	87253	88959	65590	64732	24584	27603	84651	80098	59905	63526	20072	20737	69059	66614	32891	35235	34458	32693	14339	15237	33415	33763	26884	27673	38667	39015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.8238@0.8501702	23805	29469	33723	29545	29585	29842	30903	30936	30434	34452	32533	32470	36141	34806	33188	30520	32085	38534	32360	33527	34244	31313	34145	29330	31685	30783	30869	33835	29322	34226	37590	36467	36971	33588	33551	35811	35921	35764	31934	29100	36656	37715	31896	35420	31756	35558	31594	33404	34256	36079	14241	21101	32262	34222	39018	34976	33326	35360	32521	37493	36496	32611	43228	46359	37136	31772	41519	37471	31843	30523	49508	43123	21677	24084	32961	38615	34433	31280	27582	27628	32349	34587	41295	47243	31107	26160	52822	47256	49005	52637	48781	50345	30906	28725	48638	52322	49830	45857	33328	34611	41529	46859	34835	44858	33581	38680	27100	28846	34718	31731	32428	29701	36807	33163	16632	17424	15510	18353	14270	12856	18151	17272	17462	17467	16656	17568	17907	19268	18491	16998	19392	16899	17486	16458	16082	15328	17173	19080	17831	17113	16816	18111	18736	15257	19221	19126	16659	18100	19910	20114	18654	17657	18293	18196	11697	11378	16024	19270	13430	11982	16459	17153	17951	19095	10474	7440	9227	9493	7991	9891	14276	14149	10133	8674	10388	8785	11931	15314	11133	9223	7556	8119	13112	11290	10562	7630	10853	11222	9890	10396	10562	9152	10984	11415	10603	11628	10783	9155	11632	10064	11016	10733	17661	17853	10057	9741	9125	9296	9920	9406
344.9731@0.8379999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8227	10413	7383	13625	11276	9632	8620	1	1	1	1	26928	31150	1	1	9557	11556	8046	1	1	1	10075	15825	10728	11972	1	1	36797	38361	26099	29080	33908	30942	8782	11302	32996	35744	21471	21373	14049	13121	13356	17364	10991	10808	11856	9672	1	1	10225	7475	18982	15270	13868	10857	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
445.7961@0.8602249	23697	25973	26494	23622	22937	17920	28694	23257	21992	27501	19131	25058	22249	23420	17121	18130	26311	27135	21769	28105	17332	23857	25492	15921	21896	19744	21607	18963	25626	23515	12498	9712	14522	12216	13385	13101	7902	12052	7107	11030	13755	12462	6814	8462	1	8809	7549	9004	9124	9565	1	1	7847	11191	10410	7816	17720	19241	24578	24585	25924	22499	31443	29269	19629	26696	27690	24454	22832	21754	35313	35592	13203	12090	23632	19295	27709	32559	29864	31914	30906	30851	30794	25517	18333	22875	27615	33414	24785	23353	25898	19445	11476	10801	28982	23666	26661	29987	21628	18697	22538	26561	16352	19793	20102	21298	22274	19293	16222	20151	21847	20431	25947	22235	13084	16522	18198	15707	12723	9653	15356	15383	12343	11619	13728	17415	13779	15607	14926	13816	16323	14284	15606	15001	15482	18608	14072	14489	15714	14936	13688	18784	15742	13318	18009	13322	13735	13708	15605	15233	8855	15355	15580	15475	7220	8927	13255	13160	9299	10002	17294	11812	12014	15158	8248	8463	6991	7047	1	7664	6768	8717	9408	8975	8156	7224	10242	9013	6969	9498	10707	7229	6425	7392	8334	1	9581	9819	7710	5911	1	8186	10773	7878	8744	7949	9728	7321	7045	6345	7220	6452	9697	6480	1	6553	7601	6605	10502	1
> limit nullnullnull 0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30709	31390	32801	34521	27179	34636	22582	30045	37160	27052	17977	18000	30029	25781	24735	21767	18986	20830	19802	18942	20996	25406	21924	22744	30004	32929	14986	19801	22181	26686	29859	31385	27722	30275	27160	26188	27561	33358	31663	33657	21612	24657	37263	38163	28423	37352	34067	29186	15513	13824	34873	31833	31146	26813	46066	34266	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4R-hydroxy-octanoic acid null 6.3029633	1	60039	216785	131970	1	123718	54227	199242	1	53872	213908	1	70405	72105	229569	80166	127421	35421	111440	210036	51058	244404	72374	222347	78612	278708	55702	270268	21317	52062	164307	1	25073	47501	1	66607	73605	67629	235029	64865	288367	92312	1	187221	60795	47352	1	1	61715	82054	116970	110950	44586	1	291286	100211	234793	45790	58135	1	1	62874	48620	151863	140550	157819	76212	110291	158002	141640	62594	148578	1	162561	90918	1	1	169772	186082	153038	31101	56592	1	167655	44766	68927	84788	1	69050	34998	1	126808	116119	179863	201257	151874	191656	102462	124427	226851	1	75024	70363	1	60431	197858	1	228093	220200	1	74492	1	1	55081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H9 Cl3 N S4	191399	193188	172415	180828	210488	209359	168688	181270	195717	184703	202028	210163	216433	215293	170970	183290	169697	180691	171556	168211	201776	189406	139903	143330	185173	196480	181913	185315	149880	157046	257274	257244	274142	259012	260821	260341	259828	267187	250932	250796	261366	259676	257617	263217	252728	250434	254699	248844	261446	253186	203881	199318	284272	262847	291276	277902	276910	273802	184463	179968	180250	190751	110115	90123	218607	223245	209217	224056	208929	200020	53421	49847	148202	140860	213095	208307	231431	250727	185284	194396	73824	75419	90403	92801	196720	184705	23649	30001	42191	41985	45252	45584	98315	76376	51475	50313	74359	81938	193624	198233	91008	95223	155750	164306	160111	166789	223021	228540	155965	158506	185281	176380	181769	185154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.8792@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24377	27316	30872	31471	28947	42824	19299	19664	31427	26524	21384	20323	29717	46091	14095	12631	22033	19820	25481	23217	30712	30033	30395	30818	34071	33343	15742	21508	35601	29919	31476	26400	28525	26562	15880	13466	29090	33429	32417	32671	23629	14064	26920	26729	26035	23258	21062	23587	9966	13617	19808	23255	22575	22737	32231	25388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
607.7526@0.86868495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55609	50858	39418	34725	49701	49208	52577	51183	50152	57528	43092	44884	48475	48407	28996	24273	55383	55300	54944	63296	41518	37492	28675	30275	40112	43004	39640	34126	41689	39151	39617	32901	37911	38645	16825	16106	39147	48920	39757	41107	44959	46392	45569	42835	43238	42824	38845	39780	55545	54668	33083	32618	45896	42671	51449	49614	39509	41614	48446	47799	42040	39649	57028	57640	52875	47645	53980	47864	50285	49355	36935	37938	51480	52086	37315	36329	42379	41247	56828	53021	44340	43210	62485	55973	44831	43817	66933	61026	50327	47790	64325	58700	55742	60314	45941	53258	22228	25731	50672	46225	40999	45740	37291	41125	48420	44082	21923	23011	26561	26416	20639	18901	42433	42361	19932	22201	27559	30108	34969	35239	28126	26046	29136	32225	29818	29819	26616	26829	26827	26816	34561	31498	21106	22305	37733	33031	25477	23717	23427	30258	28665	26394	27510	27998	38865	40004	28506	27408	19811	24551	21825	25109
878.6691@14.030479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9544	1	1	1	1	1	9983	1	9581	10511	22727	25791	13168	169562	16092	18021	55180	20801	83824	1	245102	33406	27122	13191	11685	125317	82449	9435	14106	15391	10093	21270	39330	19810	26258	18133	22549	9081	18693	31752	61621	11202	121789	32189	15612	22071	26431	51702	9580	13269	59195	27122	16031	83767	121773	34784	18272	62387	16059	33430	16007	11284	70490	10525	62779	47709	36299	36853	52284	111663	13853	34775	87161	20005	13583	14211	127821	39047	41709	24675	137064	98440	18393	19239	39392	19433	11450	38674	14572	111094	24190	26426	20068	105002	397564	129746	183304	148102	17296	21014	41958	38629	27078	24226	25272	33317	59444	41342	40792	16589	34031	92011	26786	290603	62422	28944	124110	85729	26203	123852	34292	20553	22315	207330	30934	14778	67917	69130	15226	29063	204117	19374	187605	16216	16239	72921	19036	19440	18975	119007	24634	28897	20593	49975	131230	1	16400	171095
406.2377@11.308976	43344	58528	27821	20397	27381	7885	31425	6998	8887	15495	13303	26771	26803	14946	42836	16498	40977	23631	10449	11463	33862	36148	8955	29812	15004	1	20999	34449	18619	31869	11718	1	14468	24238	1	1	22875	18189	37818	12864	16963	14782	1	13920	1	1	23058	9685	1	1	1	1	7929	1	1	1	12637	15387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46363	1	39656	1	27301	34443	34827	33029	86405	40765	29888	43881	17088	12633	1	1	22064	14543	25850	8319	1	1	19176	14980	34785	35194	25824	18520	21552	21617	15003	23976	26105	24414	1	1	19086	23176	1	11991	1	16209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24155	17439	1	1	9678	10621	1	1	1	1	1	1	11014	13268	5945	14682	1	1	1	1	12653	13624	1	1	16636	18815	1	1	29874	24599	1	1	27373	10616	1	1	37285	21004
206.0948@4.535319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17059	16452	1	1	1	1	1	1	1	1	18548	12776	13466	1	1	1	9477	1	33350	23980	33849	36431	36142	37278	16912	14019	20128	17768	18780	20172	20293	12182	14859	12140	25940	22665	40483	39487	18229	19751	33393	33394	18475	20651	22600	20229	1	1	37647	44425	20181	14232	21461	20257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12429	1	13919	15106	14672	1	1	1	1	1	1	1	1	1	1	1	1	1	13241	1	1	1	25557	32551	1	1	18015	12019	1	1	1	1	1	1	1	1	1	1	1	1	17094	20891	1	1	42497	31894	1	1	1	1	1	1	25723	20640	29073	32469	13707	11817	12930	14132	1	1	10649	10761	18446	19549	1	1	18058	14846	1	1	1	1	1	1	20622	15135
575.5775@0.86593395	24870	24629	25180	25776	27368	23007	21538	23640	28108	27577	27953	31016	28568	28937	22534	21702	31018	28146	28065	26670	28215	27358	20769	24498	26927	28730	27309	27384	23267	19567	24398	23636	23860	26230	24270	19429	22592	22658	23744	27838	19946	23951	17087	19804	16796	16904	24292	19960	13830	17806	10124	9713	26061	24081	15606	13756	23810	24810	15961	17980	18061	19444	13663	12157	24858	24250	25279	20786	27450	25837	17639	12783	13680	14490	26092	23136	23573	21283	13933	14318	13153	12262	15447	16016	27050	24914	15443	13457	12816	12553	16679	18197	12225	10955	14162	15812	17397	17602	20811	20564	11665	17384	15633	21613	20635	19408	26202	27657	19659	18868	24659	17920	15940	17665	19086	19762	22189	22421	15488	12937	22444	22102	15215	16325	21906	21384	20515	20493	23561	21578	19111	22730	19771	21999	20585	19907	22015	23809	22192	22308	21079	22738	20364	22848	20479	21126	22323	18567	23099	21485	23114	22548	23724	17858	12137	14700	14119	18632	15406	14352	18477	22170	14937	20199	10561	11085	13073	12567	9328	11599	15143	17213	11496	11646	14834	13663	23588	23025	13852	12485	15548	13021	10874	10097	16448	16589	10466	13630	14640	13932	15775	15971	15239	14620	13561	13056	13636	13368	11600	13858	14573	15153	19461	20318	13798	15345	14759	16507	14713	13281
C4 H2 Cl2 N2 O4 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14770	11434	12942	13370	21076	18021	21459	16893	23015	13020	14495	17707	23212	20492	6098	12537	15006	21513	15647	18013	13060	13359	17808	18494	17786	16064	7781	13197	29108	25868	13247	17696	18597	20612	11361	10696	12539	22134	15826	11308	8268	14464	11106	14107	13749	14676	10513	11927	15946	14732	7641	9915	9995	13299	10318	7647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H54 N9 O13 S	9933	11204	17849	17772	15824	14808	7635	7970	8461	9572	10713	10884	11556	7899	7505	1	18016	10983	7978	1	6412	9812	11243	13571	17407	19545	16072	17489	11899	15960	13893	11880	13359	13592	17277	16785	16118	14647	23046	23957	17560	16622	17234	18518	13409	13281	24762	21127	10015	10347	1	1	30866	25392	11863	10974	25213	26253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9585	10496	7199	6410	8016	7820	6779	6568	10251	8614	8527	7209	1	1	1	1	1	7348	1	1	14776	16003	10106	8674	17647	17950	12243	13244	18411	19010	31799	26906	22761	20361	27573	29835	24109	24817	13222	36680	1	1	7890	7295	6418	6401	7778	7286	1	1	1	1	1	1	1	1	1	1	5887	1	1	1	7643	7609	1	1	1	1	1	1	6241	7209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7608	7867	10209	10382	8901	9497	7460	6049	7181	7440	17871	14922	6401	8046	17079	18770	14744	15315	17811	17277	12466	10685	6332	6528	16362	15968	7771	7853	8109	10047	20172	17077	8471	7970	17816	16832	15976	14780	12181	12825	12597	11642	12707	14674	11358	11721
C6 H6 Cl3 N2 O5 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26605	26268	23409	23909	29598	28247	22974	24044	27994	22324	30161	32899	36279	32825	16912	13292	19741	25085	15562	19413	25439	26236	26638	30713	31068	26111	31154	26594	34589	33716	30894	33908	29568	28449	10734	14243	32414	30617	28632	28776	20080	18380	28974	21944	21016	19559	24743	23798	20765	23005	20177	17141	17617	23610	20570	22594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H7 N2 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13905	27374	11964	73164	81655	82153	1	1	81525	89659	1	1	38468	202808	62169	59520	1	65950	1	1	1	7646	1	68941	47735	66363	1	1	110653	244878	59532	88172	52106	183244	59337	71114	222228	229674	80951	80091	16495	12707	50917	45702	11387	9792	20716	13558	1	1	12481	91603	10832	1	18622	15207	66347	62443	56133	52101	69027	71265	74239	63937	55566	50870	66637	1	64075	58847	68985	25295	67240	72246	72265	80763	18111	69918	76173	76790	70654	78373	29286	22157	74165	32629	18019	64963	53243	60594	43788	46965	68381	63708	53380	54505	72463	67514	51191	57312	94199	87174	73431	77066	59015	61351	14937	17178	13668	14083	14100	11787	13607	12620	25547	29149	17662	19063	15013	14437	15569	16332	20159	19371	10586	8810	19983	21850	35978	34361	16283	14186	23967	20797	26180	30531	13791	13767	29005	23839	13999	14959	21743	16576	14508	11957	24417	21172	20482	21230	16575	17661
C4 H8 Cl3 O S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24163	30778	22270	23608	36851	36521	23432	23932	25728	22439	21334	20775	33318	33326	16924	14698	26494	22332	27317	27509	19423	27772	29956	26542	36235	30545	18795	15974	31036	31287	27714	31283	32941	35023	19890	15156	38413	30351	32036	31425	24888	24517	31538	26220	29510	26742	26136	32075	20940	22925	27253	31030	27906	25234	31588	29325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.9854@0.84639966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38643	41087	15037	13904	25287	25020	11891	10349	12950	14234	34213	36833	28543	29645	13990	12477	15447	15081	18998	21538	22810	21923	48065	45264	35497	38833	32847	28771	49162	44569	39635	41546	25436	22931	11159	14067	24403	25327	28626	27666	1	1	23966	22799	16944	15572	17000	18682	21391	18455	19625	19577	26015	23302	20675	22771	1	1	7334	7866	18407	19356	9569	7443	1	1	7045	1	7366	9704	11346	10279	1	1	7955	8246	1	1	1	1	13357	13250	1	1	14474	12108	1	1	1	7864	1	1	11026	9466	1	1	13625	12516	1	1	22239	20387	9205	9133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1346624	1280546	1722744	1689694	1940388	1886325	975762	943818	1564723	1546257	1507757	1523736	3581031	3600430	1427215	1313612	1472392	1428351	1133007	1133814	1239256	1334055	2025314	1966332	1932589	1978690	1342553	1361123	3957954	2713406	1993535	2127669	3078376	3094599	2028380	2041377	3921408	3973325	2798965	2842434	1639343	1683249	2283103	2336906	1992173	2002297	2471684	2599711	1400224	1395599	2041964	2046405	2051353	1995814	2489348	2844233	1	31128	25922	1	1	35344	29423	31959	1	25790	34216	38611	29133	24495	29919	33286	32643	30741	34582	16976	24215	30484	23148	26354	28790	38524	31347	34225	34431	1	26748	26981	32144	29766	24635	24664	27456	26512	38507	34585	31461	1	21610	20178	34121	37642	28861	30773	24498	17734	1	16593	1	1	13628	1	1	1	20195	18048	1	1	18829	16606	1	1	1	1	1	1	21286	18598	27108	20332	15825	1	24381	23303	18622	22747	1	12872	10484	20936	1	1	12143	16420	1	1	16157	14907	23235	23408	22709	17634
187.0447@0.94749033	60260	58767	65022	63989	51270	52195	59134	59567	69022	63761	54517	57256	53162	56216	48901	47074	75291	66117	51206	55396	50359	47882	47120	50781	66843	73379	61355	61259	58396	62563	10535	8157	20822	12123	9731	22435	8445	7038	30592	29329	8927	7181	8030	8024	16272	17603	30762	30772	6129	10589	1	1	29568	33454	7577	8758	24196	16195	31972	30859	31126	32952	32339	31567	12721	27668	32238	30935	29434	33545	39371	39857	12017	11311	35451	16683	24188	26782	31307	34724	29414	27858	25928	25052	30437	27880	42063	38737	35054	28734	31296	34748	24764	25552	27205	32054	27345	24043	32489	29617	36562	24312	26703	27915	36558	38212	12851	12530	32415	28039	28435	30090	40836	44256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.1677@10.365001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6935	8909	10648	7761	11979	12686	17462	8098	9375	6895	7513	9991	9350	11986	8025	5844	9868	8181	11652	1	1	11289	12245	9507	10534	16506	14864	1	1	6944	1	1	1	1	1	1	7104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.099@5.5446267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12204	14221	1	1	1	1	1	1	11245	11574	34484	1	1	1	1	1	9364	14491	52827	45561	27170	34002	8503	8978	29792	15665	13744	15880	18255	9515	1	11372	19225	17667	20947	27482	37106	1	23644	20881	7367	11686	13055	11723	18755	1	16274	21874	12796	8798	30201	23948	30356	1	1	14053	1	22056	19439	1	1	1	1	1	1	1	1	1	1	1	37370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26717	1	1	50565	24202	1	1	1	25998	1	1	26261	25827	23076	22461	17428	15277	1	1	1	1	14901	38384	58202	35727	28476	45923	11249	17303	10538	14417	1	1	26417	20540	81533	24290	18056	23324	16370	19974	1	8942	16338	22573	24574	18967	1	1	52032	17035	1	1	1	14167	1	19665	9597	11683
C15 H6 N2 O18 S	1	1	1	1	1	286492	1	79584	16337	1	1	1	1	1	1	1	1	1	1	1	1	80139	1	1	1	1	59419	1	296202	1	1	173686	260347	299378	66516	235467	62051	251156	69400	1	1	216589	228804	37757	89975	1	1	1	1	27360	1	308024	1	1	1	84552	78078	1	34968	36615	19824	133569	38549	113029	22311	74828	35896	70647	98149	18220	26201	100772	535339	60892	135669	154329	23441	44981	7259	16537	1	1	1	283759	35154	230769	16908	155887	221257	52216	327021	285563	20951	52841	138877	61887	154892	389615	25147	94694	83533	87926	257369	123068	1	176879	147502	158664	183002	12311	149032	189001	1	1	43405	47926	263756	82957	108394	257001	76645	222152	127445	161654	207856	230303	265784	159448	33847	59668	140524	37637	171685	53680	178739	8885	26176	126408	25308	65502	241316	24048	163845	131171	9580	59673	22748	107557	89386	17191	169566	183279	31280	163954	265545	224149	97241	146105	203675	159336	222696	30032	83867	155749	1	108046	366869	64596	110864	312539	334304	261687	64240	77566	57243	1	81601	26743	11930	34237	1	126911	61730	27030	105998	60448	109331	98255	12515	10914	168125	92528	105267	52997	11081	218939	240381	92798	209911	1	24215	232037	131611	54520	73994	277292	1	383016	1	53988
681.9239@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18681	19135	19649	20159	36061	37353	13269	14993	16988	12088	1	1	41969	42822	8104	8612	8868	9059	14778	12810	17833	15153	29326	30445	31831	29280	1	1	37484	38796	35102	36235	34960	36933	15080	12203	39169	38964	36902	34614	13820	12667	31682	28702	20861	21470	19130	18641	1	1	18204	18792	18787	17714	21692	23172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H13 N3 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	425281	408440	437870	439145	1004510	978402	253130	250187	377396	386554	661671	640682	1516681	1554231	333487	322334	381017	372517	275762	320167	378165	399546	1298115	1312213	1106841	1133894	768960	776144	1692234	1735787	1361709	1428838	1859763	1874019	556642	643729	1841395	1794581	1598861	1689905	333868	8151	1232702	1192310	430897	436095	571588	12196	592434	596992	563163	550537	478973	472207	25066	594492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
286.0448@0.92343885	7819	8568	1	1	1	1	1	1	1	8588	9939	8341	8368	8206	1	1	13073	7864	1	7499	1	1	1	1	1	1	1	1	1	1	23114	23639	41268	40268	25256	25574	24535	26424	44508	48344	25339	24042	23790	27908	25312	23548	53283	53315	11352	13426	9606	11202	47314	41386	12776	14547	35817	34246	32254	29734	20062	22776	34153	34930	34073	32164	30517	32926	18807	19343	29825	31493	22696	18888	35709	35691	40428	38236	18064	20770	20126	15819	22633	23387	15627	15678	43655	43477	29580	31253	25304	28706	8699	11717	33723	30197	43730	35870	26250	25557	32142	28531	21882	23473	25938	26189	33307	32874	21296	20777	30990	32637	56580	42601	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
659.7066@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33204	33517	36952	39807	32071	36428	43299	44062	43274	43621	31350	34449	19743	24221	19782	22648	31703	33405	45849	40479	46464	37713	24304	29170	27921	29253	33715	33010	20960	14972	22052	25583	15507	23267	19206	20222	21142	27080	21149	24341	27919	31734	26813	29985	31097	30451	37009	36884	32605	35384	33049	35768	33227	29910	40457	36131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H30 N16 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28238	26324	16017	18516	12927	12085	11025	9467	8712	7780	1	1	14063	13649	11278	10455	13782	13095	13123	14202	21474	23273	7413	6449	11100	13107	1	1	19297	19016	24014	23544	10332	9801	7068	7421	14080	13375	20039	19180	22852	21152	30043	30405	14487	13370	21833	16865	7097	1	40603	35843	21047	21118	19400	15435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H6 N O3	16940	18043	14989	14153	11712	11233	12585	11729	9518	11002	9396	10984	12518	14087	14034	15153	12842	10100	14023	12068	9161	10707	10127	12274	10759	10542	11858	13063	12001	12831	13778	16317	16531	17521	14112	13508	11443	15228	18467	15763	14238	13951	15839	14849	15120	17570	16816	18412	11638	12838	1	1	18812	20021	10394	10310	13601	15188	9179	10194	14043	14053	7615	7439	11616	11241	10056	10013	10391	11030	1	8055	19264	18962	20864	23638	20907	20857	18139	17264	23536	23680	17639	18771	14857	18244	13436	12944	15771	16805	13111	14132	1	1	18929	17595	19415	18481	18337	16655	21025	21707	19785	20143	18416	21336	21021	19802	22581	22687	19210	18255	30560	19333	16811	22203	12886	12531	15112	16006	12094	10990	12718	12841	14156	17667	15253	18014	12787	17631	16706	14467	17003	15946	14034	16386	16154	15763	12210	15290	14238	12476	14253	14438	15177	14808	11015	14233	12647	16908	11932	17801	11258	14590	15037	15580	13996	12206	11031	11662	11031	12671	13396	14268	9406	11891	10787	11019	11035	10401	7229	9265	12545	14348	9023	12197	11704	14078	14022	13374	12429	14039	12781	13699	17795	14353	17113	14617	9088	11439	11552	11949	9755	11529	12812	14089	10909	11418	10530	10722	10717	13153	10727	12568	11640	12288	10869	11742	10262	8736
645.7072@0.8592612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45912	39732	43918	42822	38579	39207	56398	53974	53531	55114	48865	41003	38512	47893	31165	30138	48616	56128	60808	60342	44335	49656	38859	28880	38868	39979	45601	40363	35071	34126	34353	35245	40147	33855	20122	20845	41712	40368	33023	36462	47415	51578	33500	33143	40356	32755	47431	42721	50127	51139	42244	31716	46163	42061	45100	48832	1	9898	1	9233	1	1	7243	1	1	6911	8686	6698	9448	5967	1	1	7254	9996	6414	1	7899	1	6737	9382	8392	6485	8265	1	1	6445	1	7340	1	6439	8495	7749	6932	11801	1	8763	1	1	1	1	1	1	1	9585	9808	7340	1	1	1	1	1	1	5438	1	1	1	1	1	7501	6420	1	1	1	1	1	1	1	1	1	1	1	1	1	5957	5986	1	1	5750	1	1	1	1	1	1	8342	5985	1	1	1	1	1	1
C12 H2 O5 S	358179	342318	295118	328728	301359	285568	262555	267969	358790	375608	306542	308784	367901	311322	222340	190449	496250	370374	307493	273281	271786	284642	182747	194145	301226	302563	240494	233866	199492	193333	513465	509902	525594	529684	528622	507674	521231	532862	399101	399263	504971	511546	456230	485273	213460	235912	350196	359319	495363	526974	371928	359148	432572	427681	573128	564350	628929	647712	41650	44313	8365	6802	6550	8191	399656	9230	7521	462049	388717	29520	8681	6992	25433	22625	17008	16467	20156	22975	14558	16278	25616	88551	23377	21045	28103	23900	25731	441201	32492	387427	429456	433449	14324	24022	13524	12282	18839	19002	7728	535767	19312	15603	22627	24777	22657	23748	28098	29834	34925	35014	37605	41353	575315	37961	613495	623261	660561	690488	671886	668472	710596	723670	655863	665717	258795	654713	585098	585133	485348	481764	622625	637687	475423	504036	520942	520080	661878	679190	585799	594529	656843	648526	535288	530802	675575	660566	580774	587156	664027	675905	658174	684736	613112	618225	222372	225219	601274	613871	633987	643640	356975	488821	534320	518563	180456	182457	214436	209403	223733	228264	409144	396836	227755	231944	289821	277351	204384	214126	159633	165504	162501	157651	156005	165955	144796	140775	213100	214342	189441	197494	99295	103733	327289	327583	141571	149904	181895	181056	144314	150436	258020	204440	226845	235085	144552	139879	109877	120755	122123	113836
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579.9555@0.8899997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15396	13818	14787	17000	29428	29486	11746	11467	12460	12171	1	1	25722	23089	9675	8260	1	7089	12701	9220	11612	14624	24371	21313	22757	22659	1	1	21879	20924	24657	21949	24777	21828	11629	13161	27122	24497	25582	27756	12179	10202	25004	26390	19028	20125	15944	18762	1	1	17297	17739	15187	15547	18728	21344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.7537@0.8670098	24428	26617	27792	24670	27401	31268	23226	24544	25534	21956	31417	25776	27017	29529	25927	20615	25950	22458	26528	26068	28292	31288	21517	22003	20665	23156	26820	23513	20951	17695	32882	40132	32851	36708	31790	29956	36452	33988	33041	33380	36480	28072	35793	28375	35308	34259	34287	38118	37970	43672	17075	16043	29811	30609	40536	40461	34606	31677	28850	24732	28543	25983	18274	17566	34694	31854	31846	34474	35430	28450	10686	14033	18768	18440	32993	28722	32057	29072	30400	29148	16697	19011	15615	15484	33318	28230	15388	11973	9060	12105	11368	8584	11901	12166	7107	7850	16253	13363	28522	27255	11899	15557	20342	23686	21087	26772	35093	36285	20838	26083	25873	25409	23219	23065	27742	31961	33484	30894	18241	19065	31969	31356	34866	38475	30104	29171	32785	32642	32129	33033	33558	31693	31012	32049	35704	31475	31757	34893	30427	31382	29798	31577	32371	33231	36612	34023	32146	35197	38609	38051	32827	28943	36288	37794	17072	19041	41974	39581	15630	18014	33911	33169	37253	37949	19335	17876	19541	20157	14507	17627	25406	27108	15132	14705	19037	20483	25560	22938	19331	22179	17878	17315	21909	20785	13553	13351	11655	12259	18191	22357	12572	11256	14340	14678	21225	22284	12606	12213	21795	22437	13668	12585	27456	28019	16393	15275	11527	10693	17197	16978
C23 H10 N6 O5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6446	13680	13579	21112	21344	9173	8097	15528	15682	23388	24310	32138	31840	1	1	12068	11316	1	1	13491	14795	24995	21991	9296	7986	27013	25084	23179	24771	17713	15707	20490	20749	11579	10858	29479	30166	10900	10750	6689	1	15231	13538	12323	13778	19827	19135	20038	19347	1	1	1	1	39102	18495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
855.7868@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20101	16284	16896	18032	20945	22288	18138	23885	19851	17791	15324	18250	12203	15648	20645	20651	20377	23588	20697	10646	1	1	10221	16826	15350	17876	13777	14128	24156	13719	29597	28278	28134	26289	29839	32755	37488	28048	33658	35523	22142	22903	33388	29635	26986	33138	25029	31686	14229	15613	27209	25062	26552	25548	42133	28620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.9571@0.8859998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10541	1	9466	1	20746	20526	1	1	1	1	1	1	27897	29178	1	1	1	1	1	1	1	1	19979	18981	13034	18184	1	1	41871	41381	29764	25484	27102	26772	1	1	29553	26471	21553	23620	1	1	14928	17134	9482	11701	1	9819	1	1	1	1	1	1	8664	10957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1086.5934@8.070542	24779	24271	1	1	1	1	6534	6680	40935	37422	1	1	9229	10037	10823	12918	6655	1	7508	7452	6587	6719	7144	8758	1	1	121988	121230	16710	20550	79914	80282	29553	29903	182422	177192	180784	173183	218640	225650	174307	171535	31261	30519	339761	329410	87277	92236	7152	6813	1	1	180399	178905	1	1	17090	18167	1	1	1	1	1	1	6627	1	1	1	1	1	8382	7385	9294	10054	1	1	14285	13114	10602	10269	1	1	1	1	1	1	1	1	9252	8869	1	1	1	1	7125	6590	6522	6669	12361	13317	33718	33586	13164	14180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H32 N8 O2	40347	55945	62911	65553	65311	63150	73108	72517	63290	66029	54727	51548	41322	42677	76218	47238	33024	41378	39043	39043	38336	48100	68616	70395	74360	78988	83673	80700	83587	89635	81818	86140	84117	79262	82408	81426	80174	80454	93125	81706	77232	77168	85401	87607	78559	81345	57605	90148	82088	91210	83774	87260	85623	86437	87133	92511	70536	91760	13747	11228	11755	10732	14554	15612	16566	13318	12464	13761	12759	8818	13868	15488	19870	22734	20470	20289	17139	18737	28993	27321	25632	34787	38835	31164	27836	23275	21625	24647	23142	23269	23202	25622	21705	26638	32078	35093	30855	26259	30372	35688	30295	38365	32992	25188	30951	39974	39480	34497	32279	34357	26176	30172	44582	34573	36790	34358	41207	36065	41919	49058	48018	42979	42071	38032	45581	42290	43249	45372	45020	54736	46342	41539	50341	47161	47297	45203	46808	45440	44080	42317	44859	46931	50553	41096	42036	45590	49545	47100	41496	40412	45710	47957	41335	42673	46164	44298	45656	41766	49772	50952	51402	50013	47930	45765	61060	59915	57027	58829	54770	58778	67878	63439	66045	65846	31503	41462	60746	67845	60466	62144	53248	59081	69626	63934	59613	64840	61909	61572	64552	62694	59813	72613	68250	59236	64309	66169	68191	63540	67564	63582	39351	75327	68355	69523	67375	73889	56863	37562	59808	64365
603.8002@0.8514097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75806	65200	70630	66575	111830	107245	53476	57410	61153	60533	46091	46903	88798	93170	38444	50724	52188	48813	57031	40418	53829	61624	79544	79119	84272	102866	43908	50306	77192	76738	95335	96302	97102	100510	74123	72521	118643	110753	116067	118566	63107	57974	113975	111043	83636	80047	81858	78988	39540	41420	86971	87374	69809	65376	89713	80815	8326	8396	5153	7379	9286	5856	8383	9014	8697	5656	9468	9066	8629	7868	12311	10041	6688	8481	9088	8641	8324	10008	7723	10557	9525	9327	7907	11032	10320	7558	7087	8157	7391	8019	9081	9035	9798	10212	7417	6484	8633	9616	5742	8929	13691	11557	12691	9366	9138	8215	6021	1	6099	1	6076	1	6068	1	8369	10863	5992	6351	8599	5851	1	6069	7303	6064	1	1	9504	10635	13984	14550	6050	7052	9595	10645	11984	11131	6114	1	11763	12969	1	5891	9197	8693	1	1	10534	8336	11415	9749	10539	9579
Salicylaldehyde	29414	12573	30571	23653	28939	23590	19533	33519	25711	28056	24021	22131	26347	24606	26228	33799	26415	23809	27439	28597	1	18943	25291	28695	18123	29041	29294	22755	12855	21435	19142	26643	26066	21789	15936	12336	8041	13876	25849	25475	22732	13456	15521	14996	28376	21089	17045	20704	18101	19213	1	7580	20404	26859	28973	15370	29943	27804	14232	16954	15883	11849	1	8262	15594	13248	10411	9499	18421	14714	19002	21329	25110	20721	15946	15016	19054	8355	26180	10425	25328	21058	28677	34367	11778	1	9156	12373	15632	1	12646	1	1	16540	22274	1	22296	18658	25674	11862	28619	29661	13532	15640	18851	12591	1	13457	19266	23972	16089	9711	30361	12129	11680	14990	12431	14305	16318	11458	15423	13968	1	12219	13162	11564	13578	18556	12540	16133	14795	18157	13352	13748	11639	12242	19397	15572	11145	10873	13697	11341	10368	11097	15447	10866	16520	13940	12956	8634	17667	16554	9336	1	16981	21795	11862	14562	11399	13539	17434	18538	12272	10389	1	12814	26381	27601	63965	69842	45555	47437	20074	20539	28544	24874	14991	15436	18976	19472	18224	22171	12736	16078	33721	28598	20354	23559	25392	24257	19514	26637	19609	20770	16414	20614	17628	19394	17511	1	31147	23175	35967	31397	32212	25040	21055	23161	25995	23697
576.8619@0.8621626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33167	32270	27859	28543	42131	45299	28195	30209	29161	30210	15775	19441	44486	44424	15196	15826	25358	17408	30085	26921	23395	28060	32960	29400	33469	38723	16672	17453	39192	36199	37236	35245	31656	39390	20531	16197	45541	42949	41002	39040	25019	25745	39875	40771	27273	29015	31403	31633	15936	17349	31751	26943	30453	30149	34068	32057	1	1	1	1	1	5888	1	1	5750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6435	7642	6258	1	1	1	1	1	1	1	1	1	1	7354	1	1	1	1	1	1	1	1	6227	1	1	1	1	6642	6060	5888	1	5852	6888	6475	1	6167	5940	1	1	1	1	6143	1	1	6289	1	1	1	1	7400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.7396@0.86299944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47768	53882	47619	47113	40827	35310	54656	53416	58447	56849	47534	45869	43096	35461	31527	30549	59489	54234	49930	64149	56100	55628	33639	35756	43158	35412	46711	49416	37643	37458	24355	29349	30772	28064	20294	18466	31624	39537	26792	30100	47516	45939	36115	36596	39235	43963	39858	40977	57746	51329	39748	37689	38838	51108	51473	46402	28782	31693	33011	31761	26306	27148	33271	35694	24990	30558	31926	32065	34157	33257	36470	34045	30087	36942	33824	33218	35047	38122	34896	33944	34549	34106	36699	37022	30598	34216	35006	34901	31052	31422	32853	30080	37661	34886	31171	30887	25044	20873	28997	28551	25506	26217	34344	34335	28978	29401	14095	13958	14828	15350	14336	14042	17816	18296	17011	17281	17203	14745	20852	22933	16216	16952	17093	16721	15234	14794	18759	16468	19211	17544	17689	17116	17725	18141	19804	20615	16101	17331	18542	18129	15968	15833	18672	16570	20339	18469	18639	18134	14716	18378	18177	15489
851.3739@5.5569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12634	14502	1	1	1	1	1	1	27703	30868	1	1	1	1	1	1	1	1	13086	13287	10263	8854	1	1	35772	40333	21570	22615	20829	20033	1	1	20211	22311	14512	12951	1	1	13173	11779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H2 Cl2 N2 O5 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30122	32482	22928	18324	30538	36576	26818	24361	35959	31646	20517	26254	31422	32214	12635	13098	24860	26843	32395	28056	26371	29062	22714	25566	31783	26821	17223	21811	27300	27885	23399	28055	22216	24643	10694	12749	25377	32295	27442	25726	20379	25123	28675	25309	29249	21608	24765	20977	26233	34062	18610	23218	21349	23440	31829	32351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
cis, cis-stillingic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23562	18899	15029	36103	25981	20741	31441	31186	28837	35243	25703	18942	1	1	1	1	1	1	1	18020	1	34599	22370	15885	37624	18647	41111	29021	27157	23677	20379	25041	34872	72133	1	11465	38791	38432	40722	19816	1	45854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27885	25210	1	1	21104	1	1	1	1	1	15660	16143	12090	16555	21794	30239	22114	18782	24856	23504	10111	18069	43418	36857	11720	1	1	1	1	1	20029	20225	16909	21181	14783	16624	1	18044	1	1	1	16369	13388	15945	1	1	16910	18210	1	1	1	17743	1	1	1	17698
679.7232@0.8623515	50015	48617	57679	43713	47693	45275	38848	44499	55088	53144	43172	48219	54824	53230	42684	37990	55466	52113	46166	46831	44395	43282	46397	46860	33259	42803	45102	45621	50870	47493	43934	50123	54565	49977	51813	56037	42178	44193	37758	43177	44638	51449	39488	37829	42918	39167	42744	45997	41650	41994	12817	21609	43825	43840	43139	43490	57085	55501	47595	46690	55933	45150	53639	56413	57623	58100	52555	51420	44609	47593	69806	50962	26771	28921	47332	42566	57065	61472	58417	46792	49753	54390	52481	52259	41659	45393	65615	64760	52640	46216	45893	51471	37564	31342	53456	56364	57438	54263	44787	40386	45935	38322	48222	56660	43975	41064	37494	46260	43668	47863	39621	36145	57290	64724	27788	24177	29188	25094	23589	21634	29082	29314	25790	24695	28333	28167	29525	28028	24963	27644	25739	26243	23806	25908	26622	28312	28335	31202	27023	30341	28751	31728	30371	24845	29594	30147	24037	26036	28345	26095	29282	30058	26528	27289	16721	18185	21716	22208	24337	22575	28016	27957	23045	24237	7100	8418	8979	8808	8049	10966	14263	16043	11939	11606	10744	10679	17940	16479	10889	8479	11499	12192	9705	10478	12649	10887	11340	10602	10532	12947	10259	11932	11930	13264	9778	9575	11876	10453	9797	11427	12770	13226	17294	18258	10529	13452	11724	13150	12248	12034
C17 H4 O8 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33533	28126	19486	20092	31042	30735	17413	21001	22944	20522	23818	22637	42307	39737	19424	16222	19064	21201	19866	13767	14926	14544	34162	32982	33236	30539	22556	16715	47403	45870	42581	42419	43795	38686	16320	27792	41740	43658	41915	37911	22774	18809	35161	36768	30374	29440	29196	27854	18307	18305	29027	24062	23600	26420	37563	30659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
309.0435@0.90200025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13903	11854	1	1	1	1	1	1	23939	27581	1	1	1	1	1	1	1	1	14868	14196	8875	9168	1	1	39121	37220	23724	30243	16285	16597	1	1	16809	17929	11506	12576	1	1	14241	13283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
785.77@0.8457684	84098	83696	86663	79795	59121	67007	87441	87562	83713	84338	59337	64619	84848	78961	69912	72492	86538	87205	85679	80931	54621	55621	91255	95400	69817	69963	73378	73880	90242	92484	20123	23307	28479	20567	22316	23700	24412	32159	24993	25561	23454	23644	25121	24605	19869	25268	20454	22040	25510	20743	14833	13040	23154	18648	26994	29277	34680	32986	35141	31769	32182	37395	43210	46390	23748	26097	24993	25713	19417	26617	45724	37180	27241	25782	28396	26448	23833	21105	20628	22640	28306	32211	36608	42411	24176	22718	42678	41136	41661	43530	36825	43026	35619	34233	47039	39682	50798	45411	29587	30426	48255	47585	41309	36832	27616	29441	23333	23100	37505	33770	28129	35347	32202	36826	8239	12694	1	7566	12070	11681	8907	1	1	9120	9173	16237	10620	7519	13348	12373	11607	1	14399	14708	12456	1	8937	11666	1	10488	14033	12931	8752	11792	1	1	6989	9137	1	1	1	1	1	1	12310	15337	1	1	18256	15543	9312	8516	1	5940	7742	7748	6420	7903	1	9654	1	1	17353	18021	9214	8510	9272	6841	6459	9795	10301	7494	1	1	16443	12159	26738	24847	6418	7917	16828	13575	17768	17996	7922	1	18788	18935	10029	7932	14013	14845	1	1	13700	14405	17999	13671	18017	16449
605.5914@0.8625686	30804	35372	32748	40031	29004	39054	31988	36358	35655	35028	36081	37492	39338	44597	32976	28387	34697	31788	34944	39718	30398	29272	32697	38340	32764	32971	33508	27682	33407	31227	25447	26790	24367	24505	22393	17126	26648	22022	24419	30185	26926	23326	24549	22884	22309	24403	24155	23909	25690	20667	11338	10970	24049	24984	22148	26985	21118	25728	19452	24530	23941	25561	18649	21969	22753	26993	28817	30865	28952	26665	20854	13111	16587	17178	26208	26175	24609	24823	19382	24663	16827	15297	19977	21861	25436	29104	19451	20811	18202	16550	21600	16368	15891	18113	21239	22702	20954	26034	29237	26628	22791	23566	22483	27673	27786	24729	25063	20541	22497	24696	25705	22745	21531	29246	7545	9279	8790	10677	1	1	7293	9402	10564	9166	11814	8940	8610	10015	8678	9060	10233	9086	10010	9983	8111	9630	9244	8049	10353	11549	9371	7515	10255	12021	11987	10692	9358	11325	11442	10592	6823	9983	10013	10865	1	1	13554	11694	1	6233	9306	7508	10718	11363	6897	1	1	7140	1	1	10869	9777	6499	6085	6920	7235	11251	6820	6492	6597	1	1	1	5687	1	1	1	6596	6214	7907	6748	1	6266	7128	1	6761	6632	1	1	6724	1	1	9564	9869	5752	1	1	1	1	5436
C10 H2 N O14 S	1	1	7943	6975	1	1	7882	8584	7668	6964	1	1	5761	1	1	7011	8081	7760	1	1	1	1	10264	8557	7717	8077	6900	1	8669	7885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29331	29378	29387	27854	26677	27765	23720	27230	23994	24757	19959	16193	18732	19039	19909	15977	19060	17795	26843	24313	22623	25479	23493	27170	27405	28039	17425	16049	18328	23232	22718	22673	16307	18245	19394	20121	24579	25656	31264	26807	23087	25634	30092	31412	30610	31656	31661	29508	13585	13990	29484	32588	32891	31213	34635	34299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1068.7853@0.8399478	28126	28105	27645	28370	36861	34566	27403	22863	32116	34198	32893	33699	27956	31493	28884	33819	29354	25505	33229	29061	34161	32773	23893	21808	33983	35235	29507	37144	28589	24252	39560	43113	40713	41218	44525	41520	40467	39304	41362	45947	43173	41433	38344	38480	37561	43361	44133	39468	34152	36717	40712	41560	50885	50303	34244	38458	49714	49925	21200	21014	22869	22081	12303	20705	27499	22263	30030	27462	31818	26452	14360	16346	43562	48999	53817	53201	31408	12192	1	10159	10639	9952	13775	16332	26511	27472	15111	11540	11361	14188	18997	22542	21937	29283	21472	23182	25246	31344	58896	57416	31821	31055	48689	47000	43649	47333	50611	48527	45771	45482	45868	50212	60630	46090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isoxapyrifop	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10451	11525	12968	14648	22454	22556	9966	8747	15160	16012	12864	11862	54711	45549	7435	8304	9427	9643	6472	1	11226	11521	26460	21823	21033	22232	8885	8712	25047	26342	19852	20141	29999	39706	9197	11599	24900	24025	19564	21339	12297	10501	17288	16335	12207	11602	17026	17134	8162	8786	15389	12358	12098	10578	17037	17930	17178	18793	17693	16681	22426	18824	23240	21527	15693	17328	21193	20901	18209	18227	23886	20854	21833	21364	23940	23797	19654	18399	20903	21532	22307	23244	20294	18426	22004	21342	17563	16907	18168	16068	10796	10757	22081	21994	13546	14109	21711	19926	14381	14684	23335	22070	25848	26406	17026	16429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9543	9107	1	1	1	1	1	7169	7654	6910	1	1	7456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
681.8488@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13240	9027	12968	12477	6823	9810	11233	10541	12037	14620	11815	10613	8374	8726	20251	19363	18094	19995	14348	1	1	1	1	1	1	10681	12525	13692	9954	8719	9791	10980	10270	14925	16867	19325	14060	14904	15170	13133	20359	16466	14446	16143	19783	19385	19711	20010	18951	15618	22865	17143	17688	17070	23856	20066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H2 Cl3 N3 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37650	34200	37071	35023	53697	50044	27547	26504	29938	34008	22201	28170	42503	45242	21361	20181	21872	21591	30523	28799	36191	29138	46123	45595	48787	48664	22603	26187	32998	36490	36690	36446	38259	48418	22816	26866	46060	44031	45803	44620	29635	28576	47284	45708	34170	34194	34321	35434	19474	19048	30475	33931	37713	30231	40615	40604	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.0733@10.067076	30192	29933	29194	25839	29518	29630	24534	22470	25525	25812	27892	26699	31780	31216	33881	31556	55966	40377	31783	31164	33987	34675	22568	24152	30780	27746	29516	28780	19602	22237	36691	38490	39050	40705	24373	22621	22912	22533	25302	30264	24491	28209	28658	31297	27512	28798	23620	25216	32384	30848	9052	9040	31194	28948	29605	26054	29230	28204	12274	13442	15751	12970	11104	8201	14932	11566	7381	10019	12475	12060	8151	8097	12624	14027	18988	21083	18091	21238	17489	21303	34288	28138	23169	21028	21639	20872	15249	12600	16883	15852	18191	16547	7711	7051	17283	15571	21457	20153	18123	18733	20079	16586	20443	15908	16574	16455	18319	17923	19467	17163	17079	14457	36732	19141	32156	31755	23577	23531	26803	28574	22353	19234	23665	21969	29858	35681	39518	38675	36089	36136	33619	29118	28711	29200	30646	25390	28782	27042	26840	27617	31590	30719	25690	27134	33877	32737	26520	26397	24282	23473	25802	29024	22238	23684	24675	27845	21895	19829	24366	24381	23672	27308	24650	23286	14104	16040	17621	18712	17595	17518	13261	14435	14998	13629	11359	14582	15480	15686	16115	15603	17107	16579	16300	14697	11446	12069	14817	15314	15679	14555	14051	13366	11420	10318	18291	19425	20410	18775	16954	19137	15889	14675	19962	20419	17337	14257	15287	15311	14501	15304
524.8242@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26217	24844	28626	25529	41508	38039	22505	27785	25686	27966	21927	25081	48731	52495	13907	10203	25031	26820	25339	24759	27039	21611	37016	34245	42782	35924	22814	21813	46644	56344	47333	38102	49500	48595	13302	16770	46156	43668	42170	38881	25109	17747	35246	35020	25181	22871	30318	24637	21746	19615	26614	24064	21830	17936	31337	28218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C10 H4 Cl N O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24957	19509	15822	16464	15507	17065	21065	17255	19035	14988	12378	14100	20753	18079	9031	6970	13921	15648	17882	28315	27504	22947	17561	20067	22126	20848	13150	11330	16004	19297	13394	23234	19775	17149	14726	9304	21366	18150	18162	16584	19482	19034	17929	17098	17127	17634	19135	17643	14930	16916	13996	14694	16598	18869	22149	18063	1	1	1	1	1	1	1	9858	1	1	1	1	1	6974	1	1	1	1	1	1	1	1	9671	1	6209	1	1	9341	1	7171	1	1	8475	1	1	1	1	7775	1	1	1	1	1	1	1	1	1	1	1	5765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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3-Hydroxydodecanedioic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21444	25780	1	1	22524	18794	1	1	1	1	1	1	36778	40293	22528	1	40731	23558	54903	49036	47189	62294	39578	51570	22702	16072	1	1	17424	14717	1	17140	20000	36350	30320	26659	43416	30138	43375	46555	33837	36148	35972	31941	47225	47817	25623	32000	49421	64533	38932	40132	792161	50105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
361.8236@0.861693	33809	36298	37740	39812	34947	28909	43543	40125	47115	36317	37325	44170	34110	43479	31313	28747	42166	41380	31899	37941	34830	30939	32673	34227	33836	41427	30901	35803	30288	35372	39128	36217	38894	40112	39053	40633	38868	35635	32635	36000	36613	39369	32933	34274	29711	30640	31172	35815	35785	37774	14786	16419	30080	30609	38773	38386	38504	37938	43789	32235	38462	39380	61903	54781	39248	31869	40107	43936	34662	31824	78416	84144	23721	21329	34312	31518	35953	51802	39706	39382	59483	57190	52322	48616	32116	28867	86465	73458	65833	60071	60967	55674	25851	24848	67324	68301	54095	50563	28836	33440	43233	41805	31165	40682	35105	33842	35179	36005	28058	25831	35139	32085	28586	37419	29728	30222	30118	32141	22460	23410	25650	29933	31681	28109	26717	26144	29917	27229	26465	25063	34072	27291	25164	29354	33333	26651	29233	33625	29183	31185	23362	30223	31800	27896	31399	30533	26707	32407	32730	31333	28786	28962	30971	27260	18440	18214	28135	32115	19205	18431	28507	30400	32189	29929	12368	11477	14309	13447	12783	12678	19772	16999	11545	12870	13072	12395	20651	21356	16720	14871	13442	13020	15460	15248	10824	12360	9970	10841	14956	16422	10648	12488	16026	13357	15217	16157	13376	13323	16517	16621	13305	11874	24133	23469	13784	14675	12363	10734	15432	12944
C9 H4 N6 O4 nullnullnull 0.8829997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	338823	333627	54387	57930	55811	61049	44589	44002	34380	34735	196539	197674	47110	49773	177385	169518	91715	90544	126785	131429	153331	154206	386378	371492	228342	220952	195688	198431	511925	505904	393193	401498	71626	78028	153633	176483	119539	122018	144454	156479	34376	33498	120350	131917	168698	178904	150722	139613	130808	135903	233351	239477	254830	253835	280235	207823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.8117@0.87699986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40493	43038	44825	38751	48511	48763	36609	38886	42452	42628	27214	29934	46721	49987	25882	24817	29786	27028	38340	34509	32850	36932	41403	34106	45797	46646	26067	27063	30517	38267	32882	41858	38871	45175	26637	25573	42149	43883	43948	42141	38653	34208	46811	43205	41068	41553	41963	44758	27693	21583	42213	43381	44855	38164	49866	49388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.2937@12.795238	69428	61442	30736	30744	35254	40276	32632	32049	45731	40211	47313	43066	49211	30652	37481	33969	48197	16882	16745	16619	26042	39165	19792	19742	71836	65019	68287	52622	45649	45052	34422	32544	42506	38307	52386	55228	50184	48969	119763	80504	37798	35880	54906	52273	49589	47900	132452	77314	72892	70794	32265	27327	95917	56675	73967	75603	47348	46920	7022	7388	1	1	1	1	1	1	6388	1	7547	1	1	1	1	1	10761	9905	1	1	9449	7898	11212	6799	1	1	7947	1	1	1	1	1	5923	1	1	1	7441	1	6164	1	10081	7714	8883	5996	10887	6775	20874	11505	1	1	8910	1	8732	7383	1	7201	1	7275	7916	7907	9442	9010	8186	7702	7559	7930	8428	7286	14237	14699	11594	11983	7039	1	11841	10333	7433	1	11374	9309	9243	8042	11143	12116	8982	9109	6766	6452	9856	10188	8680	8202	8688	9459	8825	8470	15288	13648	8389	10418	8839	7575	11082	10830	9539	9259	46954	49862	40364	40299	24290	20622	23878	20592	22584	16814	71995	59020	27687	28202	15903	12692	21589	20729	18191	19054	13339	10182	10543	10505	14627	14133	12438	10603	11934	11108	15872	14286	12013	8924	15521	17208	18537	10573	17314	15378	15470	14728	15770	18729	11349	11796
6-Methyl-5-hepten-2-ol nullnullnull 7.5105925	567377	1	1	1	58260	444589	1	1	375269	1	1	1	1	1	329009	1	65861	298542	1	1	1	1	376096	409826	1	126255	1	1	1	1	1	133407	58232	1	1	1	1	411896	1	1	1	1	1	1	1	1	1	1	225118	1	1	1	177100	1	1	365052	1	435784	84659	283529	232014	50111	479355	238413	1	35328	1	304748	1	1	198664	1	251353	447659	263937	231470	195533	1	274112	112741	311362	506370	78064	259019	332319	475257	113741	213270	226918	257829	121949	248637	1	287793	401117	301323	336984	699919	1	345594	325657	118193	350898	71423	334759	198451	241111	196164	313013	339507	402229	567299	1.46E+07	338487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
575.9408@0.84299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37263	35613	10684	12284	1	1	8240	7881	9464	11151	27553	27273	1	7968	13856	17180	16307	18011	18043	16341	13602	13808	13822	18064	18936	16007	26720	27110	17712	16659	15568	18792	8306	10813	1	1	12211	1	10360	9466	1	7470	8990	1	13613	18230	19690	17195	25027	23920	24316	24606	27133	27856	10719	27395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
510.7089@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26588	26892	30744	27170	28517	32650	21075	21431	17625	27179	20177	14386	23360	26525	15945	13481	26225	20427	28199	23435	22628	29797	31929	29917	34905	28392	25182	21821	18977	21697	21804	20755	24114	24135	20467	20910	26059	22103	28837	28605	26065	26800	27593	25340	29136	30039	30361	34133	17058	22705	26634	20636	29674	23496	32313	27091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.7927@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27666	30493	30965	26796	29135	32898	30719	36499	35442	34706	31633	31434	33194	31028	15455	16377	29849	27940	33738	44198	40354	43044	29938	29006	34566	25669	24733	31806	24794	21569	23795	22675	26076	14670	14594	10541	20568	23835	25801	21695	22466	24337	24492	22786	21430	23195	26516	26075	26370	29061	28623	28962	25572	29048	25655	28192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.7946@0.86337924	47378	46398	48307	51799	39737	39047	49575	44683	45487	50691	42470	40756	40580	47659	34729	40714	48235	49615	38848	41850	37738	41506	47702	46914	36566	44346	45646	41009	43965	48862	47769	44405	54483	53208	50813	50032	48875	48404	43568	41420	52867	49920	43498	42952	39569	41741	39550	40645	42859	43369	24791	24881	44720	42410	50046	50529	51327	55362	28000	32747	21880	25256	20844	17129	29229	26972	24744	30699	22369	27389	24532	22827	17314	17583	34116	32222	30929	23286	21651	19610	18486	19538	16782	23671	24850	22801	18803	21078	16604	18897	19197	17952	9511	10777	18859	19493	20381	24621	28307	26706	16096	23247	20838	25012	21874	24186	33441	27790	19290	20467	27570	29515	29408	27047	48794	44598	56293	61385	51726	45157	60218	57424	52931	54342	54664	51884	49778	47566	44526	41142	54147	51157	44565	47571	47141	47314	60880	55796	46976	54284	60473	59949	50246	50046	66015	61530	49887	54186	62828	63532	56856	58091	52836	52287	30106	30388	50595	55740	45990	46890	47675	48210	51542	49671	22332	23965	26687	26490	24803	23324	43966	41590	24692	24992	27537	26587	39071	33491	28410	28792	31674	30015	29935	30431	25157	30226	33559	30324	32472	31852	21026	26061	34523	40123	27594	26847	24970	28824	29023	28045	29268	30068	44691	44977	29742	27270	24330	23842	25800	24906
C3 H2 Cl2 N3 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88374	88312	68033	66688	93944	97618	94010	88497	104643	96317	78502	68558	88934	93215	57769	63152	109668	98152	105020	113460	76510	83142	65752	64161	84829	82743	73383	67435	73914	71523	68033	74595	80732	71541	57212	52438	78438	74508	74316	68904	81364	84015	86891	84047	74036	74783	91162	82915	103489	105892	62928	59480	96030	79356	100762	98316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H O21 S2	11657	11951	12854	11247	9490	1	13269	11348	11743	11589	9446	11163	10200	11867	10306	1	9497	12505	9085	10731	9439	1	13790	10653	12018	11207	11507	1	10123	11559	14973	9278	13575	8590	22828	17870	12434	19109	1	8882	14296	10888	19639	10283	17618	12258	10874	8904	16367	17226	8689	5760	9080	14561	14872	17412	20117	15601	46685	50496	39022	35211	35752	33182	37304	36433	33886	34384	35369	33852	31101	30500	28015	23105	29929	31692	37283	38588	33755	32392	30382	32110	35176	35451	32829	29409	38694	35878	37021	30367	32601	25125	19103	19135	33828	33367	35418	30984	29821	30860	31031	32712	34614	40370	33205	40482	26936	29197	39748	43319	45401	44225	35738	47309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
516.9877@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57788	58818	58561	59130	105238	103007	34690	35494	49720	52551	79621	86543	120816	120921	69078	63511	61394	62826	40582	21589	26852	30782	81179	84175	88623	49598	85090	84876	116996	113227	120795	119956	52350	129024	61646	81580	56522	149458	87182	88661	61378	57393	140930	74143	78530	84821	84533	85506	98385	96967	87979	91735	81322	74885	103796	90925	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
231.0232@0.93892103	64766	65651	77589	82368	91907	83071	60530	59212	90830	91967	93364	77282	69804	69200	49679	48754	82128	76150	66696	65443	69958	71825	39114	45772	80974	113193	69151	65829	50842	51720	121561	118350	111253	115771	112398	107163	129101	123103	78779	76358	117983	122109	105156	107841	83464	87159	85732	91443	119212	143499	130488	120314	102226	95810	151489	153360	131471	135627	45856	42776	39280	39831	55291	48617	43776	51395	42410	43036	43497	41574	52248	54235	56077	55603	53557	54468	60164	53042	52937	70104	47266	41844	56978	60328	56473	46973	60313	59058	58315	58117	63836	58347	75493	69569	89231	79939	84279	86365	75473	78247	94422	93035	75090	76361	84249	83216	83562	79838	74697	73508	76517	77888	86820	88567	130079	130964	140888	136304	125932	129658	141130	131656	123540	123666	129725	130667	138186	132944	115414	128903	140789	136874	127674	130959	127939	128112	130122	131783	136776	130670	138104	135942	134524	126901	132470	128819	132995	131976	135581	132481	137224	144091	138315	132837	128034	128674	138893	133656	147516	135962	148092	142083	132221	126235	108739	115797	118140	115754	128500	139768	123972	123849	102557	108536	143696	148225	174583	165956	138648	133204	161125	165651	129161	134139	221867	231308	148371	143333	147633	153784	246169	246737	143841	148387	134023	132544	138231	136785	131125	138158	219238	231827	124715	131046	216355	210374	246141	244931	145823	137182
762.1036@1.5660005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30209	33496	9398	1	1	1	1	1	1	1	17769	16219	34196	35694	1	1	30265	33791	12717	23748	13638	20820	1	1	17504	16911	41814	39997	1	1	16884	15532	1	1	7120	8527	1	1	21987	21638	16935	16208	1	12772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 1.2868644	66192	1	40867	41695	51657	50858	28432	33532	32610	27078	42213	34136	33103	17159	73513	23304	30488	34519	32025	29994	107216	36232	35003	17654	19909	23782	18355	23047	24303	35694	18696	18436	19758	20841	35308	23847	24798	27171	34325	33139	84232	33504	33892	20000	25695	27965	25017	15929	30530	36469	1	22036	27171	22534	19786	13727	12089	13416	21432	44115	43761	30283	29700	56319	40400	54177	47931	41774	53821	66430	61318	49896	27110	17077	22119	23945	22144	24334	42424	16631	18382	372574	28614	23033	13109	23778	22931	30109	79845	20674	33600	34532	154595	1	14822	29443	27902	10968	19025	10617	13311	11684	14265	8779	12445	8629	10900	11573	67397	1	15603	23557	16136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.9843@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25060	22045	24251	24248	33770	30258	13039	13191	21537	24614	45314	42151	35787	39597	21679	13985	19432	19245	14528	20177	21105	15746	42739	35156	37245	40626	43988	47828	28478	43674	29984	29668	38602	38010	18879	17835	55043	49944	41468	43209	14641	14703	46905	31367	18753	16375	27627	23608	32347	33442	24255	24147	28175	26716	29372	23990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
452.7986@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34591	31304	29141	24981	35452	37305	23295	29180	26601	22729	23777	23275	55543	61188	13894	14072	26297	28445	23815	26073	25335	24903	37867	42731	40759	34924	20303	21113	56559	59678	48046	51944	50918	50997	22016	19891	49215	53862	50985	47481	22024	25005	45366	36545	25698	29906	22351	30398	26104	27247	22232	22317	27242	26472	31249	34061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3''-Hydroxy-geranylhydroquinone nullnullnull 9.654086	871285	841125	316248	324283	295640	278961	271838	263719	364892	339017	413820	463581	783920	674721	1092094	963373	1070938	607697	664488	493946	443945	510513	283882	275239	232605	219528	233420	222508	202659	205815	162962	183334	257959	257744	192716	184162	286806	297012	299766	285162	416898	428813	210173	211771	95048	100361	354855	348911	23028	29131	237752	236846	486857	420577	39778	36114	342024	335593	201269	196502	375814	407200	185998	149106	218532	213276	81322	83414	259795	256377	314590	258703	386069	382088	312590	296642	259963	269625	596139	577148	1478801	919597	845011	770611	507152	498361	209191	195166	325154	343162	302104	283350	358420	343637	466335	407100	694346	660220	506899	499917	678743	637194	438866	446578	627887	549598	251419	246967	780767	777553	431175	412168	490634	539825	211003	218572	286909	300655	308132	320259	257255	258918	139154	141915	172614	169149	148156	138168	182642	186748	126896	126887	233294	239523	253070	250589	284671	313357	95463	86691	84455	81866	89630	93715	208744	209793	102170	104082	63427	63012	279484	278449	98448	96335	610703	609676	113737	115589	222262	231733	120147	118501	204294	205575	139556	130308	122093	123186	74489	72811	42380	43327	249687	235066	305904	283091	351892	337924	86400	86490	81962	61716	90113	87329	245597	238870	314773	291790	229676	230738	125023	114556	112542	108384	175747	187289	221254	188871	89866	87186	335794	187358	33354	30760	132687	104473	87856	152478	196441	178558
626.1305@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25926	22789	9895	10760	22273	23692	1	1	1	1	1	1	71990	78535	16272	12649	1	1	11868	12106	1	1	34249	15465	98546	101851	1	1	111110	106047	27799	29249	32594	30172	1	1	48925	48785	112485	122434	1	1	37219	36453	11135	9768	14313	14544	1	1	69743	65694	40606	41310	12385	19527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H15 N4 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11533	15602	19302	19763	17560	17317	19236	17356	21030	21750	13192	21308	16311	16225	17004	14584	22817	23193	22406	23346	22305	25152	22289	20486	22929	19717	21845	21645	17539	15860	18512	19413	18986	20900	13107	13144	23918	26149	26313	26858	31082	29559	26783	26396	29896	29127	29138	30965	31634	28251	30999	29677	29936	29685	38545	31981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
655.9026@0.8840001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31270	29766	9451	8623	1	10114	7725	9226	41802	44494	1	12473	14783	15121	12391	1	1	1	33648	33026	20810	21232	7221	9256	54798	49318	38671	43044	36785	36199	8858	6898	37531	37822	26188	28487	13054	14262	19695	21962	1	7270	1	1	14001	15993	13019	1	11467	9749	1	6035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H14 Cl3 O6 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24433	29559	25761	28907	35660	31143	22259	23512	22187	21881	13069	13501	38796	37268	15439	15755	17097	15661	21804	17782	24040	21290	33327	36484	33935	29939	11517	11733	33777	25455	32242	32727	44008	33707	15444	18593	41161	37373	43821	41612	22099	21075	36315	35017	32019	29593	25586	31190	14951	13318	23506	25056	28109	28704	33538	28735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.1261@6.4384565	33800	47842	15391	13515	15783	12325	17634	13945	19265	13243	15543	14360	29101	23336	49123	42808	27890	29098	20320	19569	14190	23722	17721	22199	1	1	1	1	1	19023	1	1	1	1	1	1	1	1	14203	1	17860	17313	1	1	1	1	12957	15123	1	1	1	1	16875	17352	1	1	1	12569	1	1	14285	14148	1	1	1	1	1	1	1	1	10352	1	14328	1	1	1	1	1	34093	27748	50455	45990	44764	45230	19440	21894	1	11126	20165	22879	12295	14111	11671	15577	26183	22475	42011	39021	20388	23689	34184	34731	20836	19353	26880	23255	1	1	38330	42573	11783	15829	44308	19890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
513.781@0.85711396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24327	24858	24652	19836	20797	21851	20232	26006	33247	24036	22566	22076	44060	43911	12537	13008	28152	24981	31131	37628	28482	33683	25372	26049	27832	31167	22723	24665	44467	46555	30188	35751	32953	23506	6134	11982	31531	33542	22062	27232	23042	17242	27943	24023	18990	18604	20541	20893	25307	27515	23620	17339	22537	25156	23275	22213	12651	15743	16128	14435	9794	10922	14829	16714	14168	11023	17778	16207	18754	14636	16587	13107	16698	13473	15992	15269	18026	14695	14385	11582	13767	19037	19615	18372	16394	14450	15495	15177	14369	9460	15232	16637	17096	16629	15875	15624	9732	10248	14695	13438	13623	13628	16106	14898	11842	13808	9810	7403	8202	7917	6032	7857	9435	9460	10405	9812	7986	7192	11055	9043	8772	8048	7843	7087	7907	7436	7169	7838	7713	8953	6395	7459	9871	7043	9315	8746	9320	8124	9088	9422	8966	8841	8105	6710	9822	12896	1	8354	8113	7490	8478	8090
7E,9E,11-Dodecatrienyl acetate nullnullnull 11.559171	373960	161670	202252	203881	164787	195960	119158	181968	172294	216156	194101	209456	225039	218235	210319	144660	714008	103488	330241	263793	275367	239829	78976	226594	216961	200136	192565	166904	72475	155245	185540	157742	78459	172340	149236	167932	148377	87466	158186	185365	133687	180376	128332	146993	185423	194382	186040	203010	179358	167426	186829	219538	183140	154942	185605	204826	215133	260461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42777	45551	21014	42319	34948	45821	54921	52921	1	54005	44892	43219	37622	29299	32379	18094	22490	31041	50871	41362	46339	47453	35647	54195	66488	60137	53684	40784	66389	60752	49966	54021	68540	65027	52478	46312	70301	53779	60384	56591	299629	61910	55019	66423	58874	67562	55459	68353	46420	59303	62562	67565	53673	62604	82911	49056	77323	63875	53594	58819	47407	42039	66524	67617	66013	62228	70959	65247	28295	47515	38877	72245	55807	75609	64940	71444	85410	68427	64867	58595	56846	68916	60212	47217	65527	69138	64007	62744	76240	56443	70877	65394	127796	120192	126387	71188	64739	105850	78219	36868	129250	98216	63004	58028	68826	93396	113334	114960	130288	116344	99580	100745	122389	91180	109714	117233	109252	124809	104841	94600	111465	78290	116911	127468	129016	87482	119797	79791	153623	106386	95126	123775	108279	90021	140894	61625	115383	105837
273.1007@8.005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18863	1	1	1	1	1	1	1	1	1	1	33374	29343	1	1	31167	28321	21611	19130	16835	15805	1	1	26587	26702	30562	33529	1	1	31234	33498	9802	11233	1	1	1	1	11510	11811	1	1	1	11009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H9 N4 O3	73035	78953	48006	49657	31582	32298	44104	42875	56092	45755	35007	34845	40678	35093	31841	33413	59695	58643	39179	33395	37594	47374	48900	57158	60095	65392	76569	80039	77990	102666	25924	25522	29493	29510	38082	39623	23530	19846	32051	34616	28179	26197	21439	21829	19505	21036	32333	33717	15528	16572	9000	8040	59231	51989	1	1	35235	36343	29884	31581	19112	19220	99316	106467	26271	24235	14169	13280	20388	21946	98588	102180	30030	26858	35239	36928	31910	33655	79638	82482	107885	104855	83675	78872	28265	27632	211737	207287	161396	162112	118293	121392	35069	35188	203636	187034	131230	138512	63448	64483	215860	204532	59162	61049	80468	82353	31183	29581	46759	46112	62424	60961	102787	84847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9910002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13208	11909	9483	9049	20400	18004	1	1	7083	7179	1	1	15412	14233	7212	1	7609	7833	6332	6363	10539	11223	8996	8999	17877	17323	1	9233	37520	34470	31562	30654	13682	13227	1	1	20110	20868	20513	21144	13097	12687	29145	28615	7534	8755	12302	10024	7284	1	19906	20880	16175	14080	12759	12917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
354.8692@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21605	22485	14521	16753	23048	22699	22580	21649	20732	21318	17164	18535	20778	13979	14577	13716	18870	17537	14606	21010	15614	15317	19020	14553	15496	15093	17254	13406	12463	17157	18072	15018	16945	19168	11852	10349	16518	17990	17191	17147	14850	16531	19414	16230	16054	12221	10200	18482	18997	18021	8988	10356	11083	18572	14083	20135	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-Tryptophan nullnullnull 3.8992748	89509	92782	85319	98100	46168	46900	85974	87225	77136	73193	44961	51124	62098	59957	54044	55880	99895	100690	65714	66767	59082	60370	87519	89466	73152	76363	66183	73588	112311	114004	55994	47302	68021	73722	30224	31045	17641	16445	38898	39418	37551	38832	19066	19048	42059	35792	31454	36774	24922	23716	1	10453	47933	43018	1	1	40102	46383	50976	50710	43783	44021	147268	145876	32553	35121	31515	28469	32237	29173	171019	169763	33679	28357	45153	43051	37118	36148	79276	82311	136636	131438	111306	110388	27082	30440	256794	257322	182441	174507	152714	150426	38357	44527	211954	213239	181991	180476	64838	64770	206453	195651	60979	67033	85995	86437	37635	34361	65981	66354	90918	87948	131741	115419	21502	22793	7408	8163	19599	19469	26688	26178	17707	16465	24334	25557	14176	14267	13788	14034	14735	17042	26526	26322	31493	32815	30843	29802	30288	29145	19765	18810	37339	39275	26836	23645	14395	13594	19400	20589	12177	12565	27015	27923	20753	17873	10582	9746	22518	22750	19173	17503	15785	16072	67212	69920	89321	89994	29679	27782	29852	32343	135860	135682	58876	57651	76788	72667	50000	48859	101567	106377	86394	87305	126897	124284	188493	190740	71871	74680	120849	120058	205347	204907	67688	63316	154714	159322	68539	69053	110278	107432	21710	20851	106214	110114	173091	171521	120404	117881
C20 H49 N11 O13 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10278	8952	10961	11619	26809	25002	7805	7554	9606	8473	6296	6727	33348	36349	1	1	1	1	8866	8027	12641	14932	31679	30912	28943	28164	7916	8430	36519	36488	31419	32344	34498	34194	1	6507	37117	35349	31763	31070	7251	6809	26991	26554	14096	14438	14075	12846	1	1	11618	12910	10399	10931	20904	18428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
STF-62247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12982	14352	10686	9685	20937	22088	11847	11047	9188	7924	1	6866	31690	34015	1	6206	8210	9043	9928	7589	15412	12426	18244	16747	17277	16356	1	1	40286	38625	25780	31230	28450	23629	1	1	29530	27588	25206	29511	13555	10461	26925	26586	12266	14334	13441	10722	1	1	13885	9292	12900	11593	11077	12538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2',?-Dihydroxychalcone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30027	34477	49181	52839	21836	22117	32503	29833	13350	15039	45574	52444	21470	22668	30792	30936	33897	29668	27319	27059	35912	40489	51630	49143	45379	43593	29517	29213	17992	19982	22290	25082	24093	23485	15746	23489	25555	29039	40268	40959	33881	33959	46850	41328	30797	29708	30788	33259	21027	24974	36506	39393	24848	26815	747140	32078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzyl 2-methyl-3-oxobutanoate nullnullnull 7.2006097	56701	58486	45298	34164	18200	18791	37764	38941	48600	27917	36366	38023	47320	36622	60756	57305	64133	37332	48105	46296	33450	41654	33842	53791	29812	19427	21982	27983	30539	43869	1	1	1	1	1	16335	1	31216	32200	26653	9849	8222	1	1	14498	1	7924	9625	1	1	22424	29175	16901	18902	13558	1	15289	14738	1	1	1	47881	1	1	10066	1	1	1	1	23018	1	13246	23643	15323	9087	13120	14663	15256	33001	27611	125451	14616	40622	11917	25386	18300	20371	27118	18780	19509	20055	40067	1	12505	24999	33027	39606	40927	21666	20143	14095	7219	19555	10349	37781	26520	11790	19474	31599	14247	56089	37760	1	25266	1	16779	1	1	19971	16195	17398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13978	17489	17277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42556	39745	1	1	21941	21682	1	1	1	1	1	1	1	1	1	1	1	1	35768	10631	1	1	29688	32394	1	1	1	1	1	1	56121	23524	16740	31498	14118	11095	1	8297	10616	15498	1	1	17404	17496	1	1	32467	14548	1	1	1	1	1	1	21250	10634
Hydrastinine	17136	21245	25206	24425	17629	16264	20693	20552	18527	13501	13975	13202	14019	12571	9345	9917	20959	19936	13287	16394	14812	21332	15887	21229	25852	29496	29059	28791	25894	33999	1	1	1	1	30128	31202	13889	13479	1	1	44105	45519	26306	27427	8403	7772	1	14955	12276	14774	1	1	115568	114182	8987	10470	80314	74531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11419	13508	10557	9435	1	1	1	1	1	9493	1	9770	1	1	26829	23141	25485	28259	1	8720	23883	17625	1	1	1	1	1	1	12544	10349	10030	11923	1	1	28890	32097	24958	24076	25274	24508	56624	55038	18396	16141	76488	78020	30878	28571	55105	55005	31888	33473	66908	63088	42094	43469	34356	33045	71537	71412	92539	97544	70466	71459	35727	32551	29265	31969	14174	20033	57167	61673	28356	31000	50072	55978	18166	15841	40285	41167	76294	75287	19419	20227	84656	87880	69470	67821	41255	40588	20602	23119	59775	63345	224268	225291	45335	44089	120141	121541	155482	153990	102579	109354	226614	222053	112818	107069	134960	127334	127679	129917	114562	102364	165521	165445	98002	95315	178996	168631	180151	182381	21515	22089	201026	207312	221062	221924	120115	120046
138.0428@1.5613719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9778	1	12974	10487	11959	13762	1	1	1	1	1	1	13862	16351	40078	37957	18883	21417	1	1	11923	13809	1	1	28586	27743	1	1	15260	1	15629	15176	16068	12616	1	1	25135	26122	19349	18262	20185	18247	19999	18153	1	1	1	1	9434	8782	1	9522	1	1	14346	13254	1	1	1	1	8265	10427	1	1	14009	14125	1	1	1	1	1	1	1	1	1	1	16457	15329	14657	15820	1	1	1	1	1	7751	1	10767	1	1	1	1	1	1	9589	10569	1	1	69244	67798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12133	10721	1	1	1	1	1	1	1	1	9283	8895	20107	28802	23281	24451	1	1	19294	22359	45949	51114	1	1	12098	12725	1	1	18339	22176	16202	16713	15835	12700	22345	1	14949	19775
979.981@13.812141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91904	51224	154363	1	1	79352	1	1	69100	283659	158962	1	86653	86924	1	1	1	1	51795	1	1	1	1	1	1	1	18792	1	1	42120	55888	1	118536	10430	10077	37336	1	1	26019	1	66007	46628	124318	34364	1	38909	1	1	1	1	1	1	266725	71499	1	41839	29672	1	38650	46628	39629	40499	43439	36613	32422	1	40230	82443	1	59424	1	25410	57000	81301	50136	1	57995	51867	52037	42725	47519	53291	30024	75358	51168	45254	70833	33382	45549	83129	1	31607	50428	58724	1	46747	18445	20206	43405	35361	67237	24784	39047	34102	46257	61693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
79.9929@0.89999986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99858	1	101187	159124	169150	159398	161764	141074	151478	1	103436	223182	228231	76551	78055	1	119302	143788	1	1	128010	149641	164157	1	152367	1	1	13913	10693	301766	314420	210497	10740	1	1	14295	277711	234651	213528	1	153971	184213	183778	1	125531	115598	105968	113694	108863	1	105603	1	115603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H O9 S	50260	45997	160008	120062	122887	152184	72385	80176	86375	76977	139933	92939	137215	150211	27971	13288	58586	100303	52598	121675	85229	150362	108740	68503	105046	153945	73923	64667	50694	66611	97330	144697	115249	150748	63677	129861	42902	17391	52809	141089	149110	61618	130260	57068	89898	70687	83967	102453	67257	111097	57233	77975	99394	54739	73845	45876	51703	70853	59418	79999	58702	100234	50838	128309	52354	51941	149017	106952	47184	39534	36251	39314	63496	114782	93036	208485	95295	24233	62893	190185	85842	90515	82952	53812	101827	128279	195954	90297	87419	60505	204869	192908	1	215858	255624	156097	142950	65084	51298	84840	76471	78146	117118	152144	108909	90530	107010	47412	167153	66781	103320	81920	1	33556	103294	141232	121888	167406	179586	131783	173025	196319	158968	74349	59746	151579	81225	154117	49098	30075	89491	128217	16379	164727	162262	56474	65959	90101	131135	56430	27211	99666	103876	107486	75296	51618	166052	77448	106309	110255	113869	105090	33589	35726	66579	66297	104500	127411	125016	79386	62055	121275	19311	57112	69302	49232	86939	128235	97256	238208	126356	137009	169730	162619	88100	86319	82679	75336	98208	104976	91934	181903	90540	225543	139837	177164	292775	111736	245772	110464	90186	134275	177360	197648	114623	106317	75031	245640	108024	74718	210581	84102	192297	182818	105155	82235	69845	103413	89603	124589
389.1841@8.655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26091	21334	1	1	1	1	1	1	19559	1	41305	55470	61456	52968	1	1	68911	64698	44193	33411	29038	33454	1	1	68666	57621	58159	68287	1	1	46918	53556	17724	1	17184	22347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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686.7821@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12793	20326	23244	19671	37442	33185	10346	14332	9155	8511	14382	10708	44080	41692	1	1	10665	12099	13002	11733	25083	20753	35617	36643	36086	35880	12829	10910	29290	35596	29635	31269	34336	29647	12884	16355	32331	31074	31777	36293	18426	1	31639	28579	17144	18646	11031	12137	6189	8474	19657	18342	13164	1	20935	18237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H24 N2 O9 S2	18363	13840	18618	17218	12070	9277	21865	16198	19044	24518	13875	19394	20022	14933	18950	16426	21690	16370	18817	23601	11590	15149	19170	19230	16879	23451	12852	18181	25913	24254	20491	21680	33741	34219	47587	47287	19541	18821	82582	84421	22299	21431	21946	23346	33097	37012	42697	42628	21855	17485	1	1	64227	66293	9204	10564	51071	50125	19384	18424	11462	10317	1	1	1	1	1	1	1	1	7414	7526	11781	9435	14463	11876	12185	9232	14444	16786	1	1	8483	8140	1	1	15568	13577	15737	16760	6995	6685	1	1	8331	7136	12432	14610	21981	21435	19299	19481	10264	10894	13407	13198	1	1	33811	34944	16788	16647	15726	12648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C22 H17 N10 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23432	45907	26387	68651	65282	54973	59450	56140	61918	48827	56401	45979	38496	63142	21244	23028	16034	18378	15430	19094	1	14250	1	1	1	1	1	1	19101	21152	22654	18434	18014	21969	22684	29341	1	1	16034	22081	72187	23586	14223	20711	21718	23173	1	20176	24366	27301	1	23918	1	22364	1	21779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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429.0065@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14688	13950	1	1	1	1	1	1	20981	20761	1	1	1	1	1	1	1	1	12231	12559	9107	11466	1	1	32064	30909	18700	23340	20774	14261	1	1	20315	22116	12032	13988	1	1	11273	12011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
559.6012@0.8663062	50340	48592	47923	45669	52093	56647	46613	46055	46961	48380	49027	52533	57963	57319	48590	38807	48160	44012	45718	44195	45036	49774	40938	41709	52414	46669	48030	48381	49592	48515	77101	67783	67393	72635	78028	74127	81599	76409	73990	79270	62781	62790	71930	72548	63565	64448	67468	64865	74161	79280	39157	40159	68040	68979	88643	101415	59794	63387	20167	26325	28980	31747	18782	24185	33940	33088	43458	33550	31897	34155	20749	17428	22102	21275	39870	39932	31848	24321	21065	23464	20648	17882	19248	23607	33122	32722	19204	20108	20806	21269	22781	23534	18947	21805	30215	22643	21186	27439	32664	30728	24508	28055	28465	29529	29360	29926	44690	45445	26204	30649	29451	31761	27883	38213	41831	42080	54023	52625	28142	31027	49942	45785	54786	63374	42837	46805	43506	48767	42637	40784	46232	47108	38494	42392	42555	43845	48794	50285	44030	45080	46794	44553	41841	48709	58527	57109	51844	51291	65643	64062	49007	49683	58540	56803	20931	22756	57132	60958	20854	25036	43051	42909	58375	60062	21053	22145	25000	24616	19059	17717	54849	53328	13858	17603	26687	28865	39124	41449	29138	28605	21479	22481	29310	29007	18647	15923	15971	13616	23686	26960	16095	19027	19013	17220	26300	27720	17164	15262	28511	28220	18054	19703	63137	61029	19173	21347	15306	16683	20138	18211
<none> nullnullnull 0.8715961	22005	19860	20623	18010	28768	27692	18435	19729	20885	17894	28395	24355	23646	23481	21455	23681	15059	19237	21503	21638	28588	31349	16161	12933	25571	24087	24940	23220	15246	21674	51281	47686	45842	47198	49154	47921	49307	48554	44671	45051	42658	43855	51855	46921	52437	49290	48787	44595	57170	60763	24500	23826	41250	40990	64038	60045	36831	36341	17893	15989	16023	17735	1	1	24334	23815	20412	19572	27291	26864	1	1	18661	16498	25558	29005	17456	15115	15196	14695	1	1	5803	7593	23533	23807	1	1	1	1	1	1	8245	6411	1	1	5930	1	24723	23096	8619	6988	16880	19134	17529	18002	35430	36433	19967	20637	20307	17422	16949	17126	47408	48456	51450	51472	27724	27956	47824	47904	56771	55322	47297	50795	48870	44625	45746	46126	51220	48768	48559	49445	52417	50447	51443	47035	45000	47924	42989	47317	49826	51354	55844	53769	49726	52310	59083	60764	47401	47914	52947	50252	28114	26768	55512	62286	23921	21444	45784	44941	53534	54809	28106	28605	31921	30986	27153	25805	44115	40969	21121	21849	30163	28732	39262	37442	35963	37552	28327	27514	38562	36349	20185	18955	17827	19519	33411	32969	17438	20708	21605	21008	33310	34816	20455	19793	30356	34519	21549	20627	46906	47657	25459	24756	13854	18413	25376	22619
C25 H7 N O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16745	15439	16094	17110	36573	34406	8661	11257	9078	7745	1	9031	43411	43278	8109	7776	1	1	8463	1	12157	13196	37141	34950	33960	34957	1	1	41400	40157	37762	38927	39671	39018	13584	13627	46326	45804	42613	42707	11280	10973	34826	36350	17949	19296	20651	18346	1	1	14274	17904	12720	12750	20164	18723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1015.775@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24090	19934	21733	18669	11934	15332	27064	24267	26315	25369	22491	16853	10570	14249	34215	32440	31507	36662	24130	12519	8205	9837	1	1	18438	18109	18618	19198	13047	15712	17745	14894	16122	16246	19204	21165	14002	15864	22083	23763	37867	30839	22093	27541	41619	35211	29469	34455	35915	26316	32001	28949	26129	30309	39940	33300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-lactic acid null 0.91930205	1	1	1	1	30642	1	1	1	43232	1	1	1	34567	1	1	1	1	1	1	1	1	37484	1	1	1	1	1	1	1	1	155099	113717	234226	189873	135657	127629	127936	100219	212139	219174	100339	124488	99174	137235	152255	133082	240490	216436	54010	51876	49168	54643	244010	229701	59422	44722	183035	195778	48923	1	32442	1	28546	27662	39576	1	16269	47485	1	1	37205	50406	1	1	1	1	1	1	1	1	1	50485	1	1	1	1	1	1	42022	36628	28886	41717	1	1	34349	45748	72228	76932	1	1	71330	56181	24269	1	47340	1	1	1	71681	37399	1	1	56839	59175	45766	45160	43556	60137	60601	58763	21073	20696	31195	32985	21196	7851	41962	96866	33639	27345	36591	24888	7975	11585	28327	32624	30947	32485	19734	17601	34308	15763	40640	29174	35445	27281	8076	8626	85084	82597	38012	33709	43368	40052	52870	51525	49526	36511	49908	58521	18755	19874	84579	83422	109277	117696	128968	132886	141635	149577	68905	66311	317833	321690	158156	149480	97692	105090	107330	102220	258183	255635	92970	62858	205407	266835	320949	289659	158423	165743	204435	144443	288383	288857	107116	112549	287366	288148	131558	107800	255749	177380	109062	60555	174256	179938	261908	257141	286397	260485
120.0445@7.438999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67933	1	1	1	1	16931	28840	1	1	586443	1	1	1	1	50764	1	1	7755	1058901	1	176781	19036	1	1	1	88776	1	22365	300749	23204	73094	19381	1	1	1	13702	217320	13973	8442	46349	13696	15352	1	51910	12249	1	1	1	8409	1	23648	187033	18658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
367.9496@13.395997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60828	28916	42216	1	49711	1	1	1	1	1	1	1	55748	1	156684	75244	52146	249633	1	1	93841	108328	1	72025	1	86422	1	72660	138666	41674	51523	107611	45528	161790	102201	104213	111378	30274	69529	132502	107842	1	104863	53141	35172	1	72317	137942	104580	91119	100260	95806	256006	49431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.0571@1.0340003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18887	14854	20455	14470	1	1	1	1	15421	18197	35658	34620	1	1	1	13713	13320	11514	1	1	1	12256	44052	42633	34083	34111	32678	32884	1	29306	1	31698	45574	1	1	19129	43234	40774	41973	1	1	1	1	30516	13422	14274	20490	21895	21861	25073	1	19392	17169	16482	25066	22281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H3 Cl2 N2 O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26700	24273	24980	20210	30909	29709	24864	23663	21079	23227	17548	20519	45509	46285	10102	12347	19309	23854	21888	26146	22362	20423	29946	30620	28884	31082	14828	12701	42080	36008	36082	38650	38010	32185	13711	14996	34055	39870	27821	37273	18680	20153	34255	28370	16706	25893	19039	20369	18461	22659	18627	26615	23290	22997	25800	29107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 O5 nullnullnull 1.5559999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49190	22144	26780	25856	54145	54933	35610	33885	20542	18286	1	1	23528	70155	26106	24413	24346	25962	34711	33659	29567	29671	54447	53005	66909	86872	1	1	65756	66280	67651	67250	60932	66709	1	15325	55670	51910	83017	80377	33643	33958	65739	67324	30752	30350	27773	21861	11568	12300	38109	40000	34124	33106	33299	29547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.9957@6.4547663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	214003	240017	1	197891	115634	104642	116348	243713	224707	1	116398	273299	1	112503	126058	691219	132908	116497	118086	115080	234153	1	1	118337	248490	781553	1	273485	252003	217916	221652	107507	666411	1	123321	157985	634749	454189	376491	432085	94521	98419	392675	104612	1	217730	101440	95792	593377	89958	610329	95220	94286	60458	1	114764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.1047@7.4062366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	65291	1	12701	1	111828	61467	1	82683	46180	1	91824	1	1	109488	1	54763	1	19889	1	46374	130141	234117	110382	341039	227940	65990	90112	87575	75377	35540	1	151020	67650	82683	66829	100073	1	80784	105805	33919	1	41128	17178	91725	145227	32674	1	102760	173977	35133	70546	48538	259985	5297987	96701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11947	1	1	1	1	1	8985	9742	1	1	1	7036	1	12411	1	10211	1	1	1	1	1	1	1	1	1	1	1	7540	1	1	7596	12196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
406.8689@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22118	19603	19244	22564	30476	22065	18025	14090	19776	20579	14016	18890	28664	15719	7407	6030	14524	13682	14220	14965	14367	19248	18660	20447	20464	20035	16083	16208	17254	19793	20406	28866	26774	29834	9855	9606	29215	28095	24324	19174	10282	12124	31007	15619	18313	14159	17808	13244	15908	10852	15972	14965	12700	15376	12339	16070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.1198@7.244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137972	1	128811	41906	112248	147169	42304	1	36926	143626	1	1	34024	40026	109423	64838	153481	1	1	85057	158629	1	72317	148756	172097	52642	44062	149009	1	131751	125938	41788	159327	64364	110215	70112	82943	108513	106992	131098	79694	56192	75782	95516	72521	1	221303	150797	212391	79594	124938	1	1	178817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Acyclovir	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19001	16998	12588	12837	17929	15773	6526	8630	7754	7936	11007	10772	23729	23304	14061	14347	15616	11961	12043	11559	20767	20263	26993	24585	30752	33066	11083	9717	26278	26616	23307	22637	27811	26997	16989	17851	26264	26803	37384	38967	14469	13844	20316	21650	21018	21997	24899	26039	10073	8344	26985	28382	29013	26900	24875	23535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
768.8627@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14272	13653	9348	9687	21449	21958	9893	13327	10339	13296	18551	23378	30936	32176	29938	30091	26546	29032	15914	1	1	1	15865	21921	19079	18714	16886	21240	47931	44605	41045	43921	49179	47146	21617	30949	50914	56427	44983	44725	32014	29069	32957	38441	21022	25223	23690	24475	28199	29513	33548	27380	23135	23910	38674	25956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
648.6438@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32164	31416	29913	32337	28282	31154	31652	37960	38477	36811	32885	31339	26319	31443	21961	22117	35705	41606	36752	35108	34195	31803	30479	21524	30400	30424	32889	35421	22104	22138	21700	29132	25123	29502	21024	17242	31071	22956	29815	31292	35026	34117	29151	25927	32537	30819	28344	32130	40427	42571	30352	33531	33183	30917	41101	30956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Mono-N-depropylprobenecid	46029	45604	1	1	1	1	17843	17428	20962	24421	11685	11229	7621	7434	12051	11339	19351	19007	9955	8695	1	1	8527	7364	8007	1	32032	36807	22204	24548	41305	44738	19095	17232	14143	13531	62968	58656	267283	262149	28635	29957	20755	21308	193062	197401	109946	119428	31338	35123	13740	12176	232879	225606	18053	16576	51719	48490	1	8587	6916	1	1	1	1	1	12323	10458	1	1	10558	8137	9124	8488	1	1	35363	33242	17409	16503	8078	8532	14603	13078	1	1	1	1	1	1	16899	16236	1	1	1	1	17059	18376	11925	13393	1	1	10722	10543	1	1	1	1	14352	14533	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8516	8090	9760	8690	1	1	1	1	1	1	11791	12175	11998	11159	1	1	8445	9980	1	1	1	1	1	1	1	1	13286	13158	1	1	1	8158	1	1	1	1	10142	9399	1	1	35674	35661	25599	26331	29291	26615	33085	32216	24350	27107	20110	18849	32686	31136	42739	41321	26015	24981	22585	21946	240283	238203	30014	30706	28114	26788	184267	177331	104229	106398	19314	18059	33843	36115	34723	32557	179479	193457	18011	17640	96565	98892	190137	185675	90934	87644
585.8322@0.8513534	58495	52892	60049	64773	54400	47259	58745	60198	53464	58837	51085	46728	60357	56624	50311	56215	63980	58056	53838	58284	50096	47343	62785	62232	51477	57615	57729	55631	59191	63136	34507	36423	40816	32816	34518	34969	29599	36844	43027	35381	29704	36745	33413	34234	36436	37011	39038	42240	35684	11515	17818	19866	34603	39296	22972	32136	41283	40679	38320	35169	40914	38727	36223	35750	40525	37761	39226	42567	34566	35298	36187	35788	27127	29924	37544	33891	39242	40200	38131	39757	27537	25320	30911	32046	34440	29290	44884	44108	37314	40683	41978	42280	33541	31529	50376	48405	37754	36491	37211	36298	39196	36638	34298	37054	38212	35584	32346	31916	37034	34833	40529	35291	43929	38995	43027	47021	44330	48021	41293	46383	54099	49256	42172	44215	49852	50751	49728	48521	53058	49394	47604	44072	48680	50159	51642	48288	50866	46960	52078	50516	55015	55714	55484	48172	47979	49086	47877	49373	46085	49000	53445	51934	48744	45527	40944	38706	46642	51940	51731	47372	50489	52531	46945	44277	28087	25520	27637	28642	30734	29952	32176	32910	35683	34392	28578	28825	40214	38651	33413	30102	32049	33208	30020	28523	39208	37828	39585	41748	32029	36560	39645	37276	46087	41663	30416	31891	39271	36366	33292	31414	39896	40208	37672	38951	35993	37278	41811	37372	39753	38384
118.0075@0.947125	64742	67876	61719	63764	65844	66880	55695	54254	71944	80467	64808	65629	72925	69014	54002	57880	83561	78030	66692	69517	71093	62495	44796	44150	68164	65279	58066	57480	43874	47876	79925	87976	84993	85826	84218	82132	91167	90942	68355	64284	78011	83552	70155	65615	53801	53453	67651	61113	76573	78397	55917	61869	67959	66367	95581	93896	83762	86319	88314	82807	75940	75026	82307	81523	86309	84652	90603	90178	80265	74764	77616	77054	81687	77483	108797	97825	106161	104909	79844	84600	56879	47972	72334	68423	76596	73705	51964	39971	53759	56855	70388	63931	63903	64715	63277	60279	69635	73129	74234	74990	64633	67668	73761	78922	83994	70999	94198	91137	57999	58100	73685	72518	86343	84711	41993	39280	40513	46279	43147	45011	46860	46122	45774	44035	39144	40355	40847	41443	35973	35044	46157	45558	36512	36571	41346	41435	48368	47902	46694	43538	41367	43263	36462	39190	47384	49338	41507	43975	51501	48689	45193	46243	41809	42593	35277	35037	43340	41535	48745	51157	38412	36094	38654	38771	24716	24543	47326	43832	27055	26074	45057	41506	26316	40527	27376	23710	25601	24241	26015	24490	29132	50323	27553	25770	29648	24506	28001	29824	31123	29165	26826	27004	27359	31106	27549	47635	27734	26895	26325	24504	25527	23245	43864	40478	24916	27735	22843	24755	17418	26800
380.0946@1.5410001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14330	1	1	1	7151	7189	1	1	1	1	1	1	155383	12575	1	1	1	1	1	1	1	1	6849	8385	18763	19974	1	1	37184	42241	10929	13139	17472	16512	1	1	19699	20655	28441	29933	1	1	11360	20321	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1348.6602@0.85	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6693	9150	7626	8719	7807	6152	7636	6694	1	6462	1	1	24767	22431	1	5785	5772	5739	6045	1	1	1	13829	14365	8899	9947	6945	1	35817	35633	19916	21317	20317	20694	9487	7011	16712	17005	12077	12040	6718	7489	7352	5922	7755	8668	6799	9850	1	5622	1	7282	1	5841	1	9511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.322999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67238	72455	51985	20932	72913	1	68009	45275	17728	62439	67414	34739	90396	155327	32916	28001	1	27094	25140	28524	46151	24212	40989	39637	50175	27224	28229	31807	42047	22650	29471	18093	35020	20034	30351	32075	50463	27388	20992	37479	28398	20557	30269	37145	32233	33200	35638	24613	34057	30230	25190	31714	32091	23677	243465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.8583@0.8584921	36877	41507	35948	42984	33281	37583	42566	41125	39782	40619	40660	33742	40664	38329	32442	22466	51010	41816	32116	30705	33653	27953	42800	42300	39734	34204	37670	29400	42523	39034	22687	21567	21575	23284	23250	19804	19321	24627	22458	17765	22324	23143	18336	18595	16600	13741	20470	20252	8914	15506	10055	12304	21886	22965	15130	24767	27598	26394	32199	26489	29216	26000	33757	36290	28301	29547	33130	26431	26837	15601	41012	43402	15363	16494	19588	22629	30785	36619	37083	32921	31682	36607	34241	34744	23822	22475	35544	36295	33098	28169	39059	32687	16575	18477	29678	31624	26232	25494	20492	19781	27288	22587	22851	22116	19430	21878	20233	21187	20040	24175	23812	19184	25228	32554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
166.0491@11.835825	12953	13997	11508	12828	11249	7726	10245	8957	12545	8940	10838	13564	19795	12167	19394	15674	22257	17309	17997	14308	18145	16787	10962	16007	23936	21094	18052	16039	13830	14422	16360	17741	22660	22250	21080	19855	25263	23642	23033	23309	18903	24332	20754	20607	16346	15537	27255	23685	15394	23733	9958	11544	32954	25166	19302	19431	20503	21706	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10085	10082	21165	14445	10217	7976	6893	1	1	1	1	1	7249	1	1	9024	15139	12146	15497	12506	13255	10952	15871	11201	8134	9439	19398	10185	9560	11329	10300	11974	8944	8333	853648	11817	12388	15530	11128	12284	15796	16963	11113	17414	18275	14415	18573	18240	16967	15677	17493	18824	16493	18694	19205	22977	15497	20868	15796	16148	17769	16608	24773	26533	22576	18402	17551	17361	21222	19247	14782	16003	18379	25257	16805	18010	21521	22566	20130	20297	25922	23570	16683	21213	17025	19570	10475	11029	13217	12144	11431	10174	11587	11933	9997	12865	24511	26593	13589	16106	13808	14972	9463	15401	10140	12758	14450	12433	12198	13183	10823	12751	9943	12380	8648	10443	8808	9127	11769	9982	11342	11979	17957	10671	9224	11367	10084	10760	16447	19694	12452	10459
C5 H2 Cl2 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143178	232446	145421	231241	176690	181578	231970	234222	173237	232772	182627	167235	164834	72874	196922	113769	60463	184135	195094	188681	51775	72794	153080	124737	164524	181837	80286	65086	112517	113058	115050	148068	62396	157343	560438	302889	93451	200754	142562	201093	92529	255684	60522	230151	86732	83144	233619	199081	256096	264632	234750	98226	90221	188978	18499	52056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
827.8051@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19979	17323	17176	16893	19796	18884	8884	10819	15000	15063	1	10719	22341	19082	24049	15909	17136	19810	15029	7422	6153	1	10662	13952	14781	20911	1	8725	32982	29833	31189	31968	25087	23927	27277	28054	32160	40193	30719	28531	22129	17613	30143	28128	25586	23786	27255	24486	7240	9594	26729	27197	24640	25037	40990	28670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
100.0165@8.613999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10071	9713	1	1	1	1	1	1	10939	1	1	1	1	1	1	1	1	1	10604	16900	14785	11755	1	1	1	9311	38514	35365	15682	10571	1	1	12789	15090	9993	9728	1	1	14737	15091	14675	14406	1	1	1	1	1	1	11101	12337	1	11022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
471.7032@0.8672671	33553	34977	38112	31820	47057	46010	29146	30715	34783	33655	41490	41458	41527	38375	33687	33437	29718	33460	35816	35534	44133	43929	29189	23759	35049	39602	39023	41283	30253	27580	84646	85305	79418	80342	79673	83000	82154	87306	73901	76524	73543	72736	82550	81921	77754	79319	70372	73378	90664	89592	39585	34941	67661	65648	105924	98707	69316	71598	14436	16138	16078	15466	6062	6528	23450	23621	21146	22381	29698	30064	1	1	14075	15798	26121	29632	19598	17490	15150	16955	1	1	6309	7017	27133	28460	1	1	1	1	6927	1	7595	1	1	1	6232	1	23920	21211	7008	7439	13909	13721	17310	15862	34123	40589	15793	16789	21846	18455	12651	13572	31378	31047	34012	35869	19573	18530	32428	31420	41635	42069	32785	33558	31735	35483	32746	32191	33502	33209	33330	31860	34988	35627	34819	35169	34425	33575	32485	33540	34171	33908	37411	41434	32492	34009	43132	39607	33686	32143	38561	36658	18093	16545	40821	41458	15524	16952	33138	32404	40704	40198	18011	19804	19976	20864	15793	14497	30086	31619	11972	12589	20317	18833	26462	27185	23485	22897	16591	17184	25134	24860	12716	11853	10884	9616	19896	20735	12437	12027	12868	12444	24827	22984	12815	13052	23278	24356	13814	13230	33575	33200	15468	14842	9896	9528	14515	14796
316.065@8.622484	7592	9858	6593	8300	7472	8119	10063	1	7326	7199	7325	7741	8683	7765	8616	7329	11137	8129	8488	7694	7208	9290	1	1	7910	7396	8893	8045	6574	6778	6802	8017	7982	8278	1	1	1	1	1	8584	1	6969	1	7229	7818	7978	7977	1	1	1	1	1	7919	8069	1	1	7490	8216	8130	8571	10848	11296	7065	1	8630	10722	1	1	8057	1	1	1	10665	10875	12974	12965	13396	14586	15183	14187	20953	24831	17604	15804	13046	11386	13635	9924	14335	14655	12003	10846	1	1	14740	12467	16146	14168	10680	15163	20934	19285	15057	11539	13620	12372	11866	9655	14324	15064	11875	13040	29860	11042	7424	7711	1	1	1	8662	1	1	1	1	7742	8338	1	7480	1	7605	1	1	7691	1	1	1	7146	1	1	1	1	1	1	1	6694	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C42 H89 N7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36422	27726	26014	29914	27179	30196	34443	38427	40011	40579	29149	28664	28884	28122	18382	17731	40705	45538	45327	44717	30928	35409	21538	21018	32835	30518	30109	31478	24130	37606	26300	29253	34874	31281	12069	11251	36525	36347	29675	24937	29611	32237	23369	21253	28921	19640	39555	30531	49057	44926	22834	23706	34962	33637	32729	33271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
566.6692@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19009	19896	20630	20671	27704	21778	20128	18756	20539	20398	18454	18724	18050	21159	12729	12718	22583	17600	20227	16577	18729	23069	17279	20591	24530	25138	18597	18725	17044	18425	20598	19078	19288	17455	17513	15289	20324	19806	24527	21736	18004	15559	26766	23407	20805	23791	21617	21648	21462	22592	18838	20095	21069	24757	23027	26665	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.97900003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8738	8510	10645	10737	23521	21970	7151	7275	8582	9667	8167	5705	31395	29671	1	1	7160	5991	7986	6880	12158	15244	28103	30082	28287	26800	8173	8603	33325	29082	30404	30132	32218	29835	7966	7087	35600	35426	32375	32267	8183	9400	27609	23878	16426	14244	17376	15729	7799	7084	13119	13659	11715	13000	27535	18966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.9196@0.8439999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118176	96955	107083	109531	126482	1	1	1	116148	107688	94753	1	96374	1	95040	77536	108526	111984	1	1	59444	1	67852	86272	1	117952	71438	88458	88063	81923	1	1	1	112880	100647	92673	129585	1	139572	132583	115307	1	123169	1	132680	116351	132325	1	1	1	105901	113613	124281	1	1	137640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.6782@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30750	30340	24872	32002	34053	38196	28740	35816	28706	36969	26755	23901	48608	47945	10882	13285	26865	30369	28488	42167	32393	29867	34144	32783	42353	34362	31665	24294	40310	36970	30734	42462	35971	36811	15686	12896	32569	38519	38886	36784	33115	29070	33489	33294	29066	26502	25349	25349	32375	33243	27295	19525	19535	28190	38733	35043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
615.8213@0.8494958	27874	27983	26552	32177	18261	22432	31329	34649	25705	29927	23747	25658	25192	24294	19026	23298	33656	28840	27094	26666	14882	15791	29689	26237	20793	25661	21819	23296	25959	31460	11456	1	18551	10256	12352	8284	7488	6372	8969	13296	9362	9447	1	7839	10781	9738	8789	13196	8803	7450	1	1	11709	12374	8271	6331	16783	10157	40601	35989	42344	27446	44685	55364	29049	37010	35511	33416	30836	33507	51997	55227	20282	21488	32424	29268	33283	34606	30480	25076	34338	36415	49970	43323	24702	32679	41973	44567	42243	51089	37326	55144	28988	26433	51110	49552	54590	47384	34517	27132	45072	45933	37912	36410	33026	38198	28278	26999	34438	38651	33736	30705	38627	39160	9691	11952	12536	8767	9681	7249	10625	14659	9013	7170	9559	13473	8202	8850	12463	10543	13207	7300	11417	9713	8242	1	9809	9932	8227	13473	10889	12789	13626	7466	9966	9965	7854	11069	10195	7265	8529	7866	10052	9217	6745	6519	9143	1	13576	9274	9303	9684	7600	1	1	1	5981	1	1	6755	1	1	7403	6150	1	6789	6951	6723	1	1	1	6444	1	1	9907	8007	9766	8213	7247	7683	9223	7881	11777	9586	6799	1	8169	8640	1	1	8953	1	6302	1	7608	6696	7856	6752	9114	7813
340.0006@0.8989999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15091	13142	13265	13617	30549	31347	13315	10797	12139	12488	1	10971	34050	35626	1	1	1	1	11022	15122	19256	16473	24948	22712	21690	23226	1	1	28608	28313	24887	23059	22145	22750	10126	1	25165	25829	21885	21703	1	1	18067	17003	9809	11293	11419	9928	1	1	1	1	1	1	1	11443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8779996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20149	17967	16713	18248	32750	31132	14515	12991	12070	14197	13248	11519	41697	41149	10306	12096	12056	14631	18157	10262	15431	17722	29308	32371	28197	28778	12029	12028	39736	37603	36638	33452	33856	40200	17595	16377	44371	39114	37153	35981	13920	16281	33511	34031	20880	22551	19053	19273	1	1	19235	20299	18420	17303	25167	20262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H9 Cl O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	226881	228429	164689	156756	21880	121846	171492	101805	202761	182927	134186	139529	23120	11687	24082	190556	267580	294862	311207	334157	197407	150016	23995	24573	179933	173965	202057	27562	56810	40037	18295	15541	38947	45652	32722	194782	21966	32328	13587	12469	236651	195566	162891	141070	200248	215504	256965	31789	286231	290741	186406	198992	242307	236995	1	223691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Hydroxy-L-proline	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7873	9297	6804	8312	11540	13830	6415	8397	1	5736	1	1	22199	22066	1	6886	7634	7363	9720	15509	18869	18411	20409	22975	18197	19441	10956	10935	40019	41719	24603	30904	19562	19330	7275	1	20191	20534	13599	21170	10083	10365	14442	17066	9043	10203	7995	10875	1	1	6456	6950	6929	6293	43231	11052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
537.5816@0.8553678	22090	19064	24939	20748	17767	19542	22286	23346	22572	20504	24350	21751	19548	23657	22193	18440	22022	19900	25527	22745	11737	16349	20364	21844	23671	22687	19750	22112	23873	22209	12659	12138	11400	13565	12488	12063	12891	14318	17608	13273	12409	12772	12131	10564	9176	9063	12195	9358	11994	10299	13687	13453	14438	13466	12548	17905	15687	14591	16408	17921	19479	20964	17343	18362	16644	17988	19253	20247	16509	17046	16637	19693	13057	13085	16246	15389	18132	11366	13765	14884	16543	15640	19614	17943	17462	19643	17739	15503	15757	17533	16907	15843	14915	12151	20509	16656	19258	17723	19356	15848	19397	19837	19862	18961	18503	19619	17535	15815	18802	19629	19721	17872	17314	18560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
574.7203@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40153	47418	36631	42804	37078	44497	43082	36868	36351	41836	39629	39785	40930	38823	35640	32783	35802	41897	39856	42979	41556	38141	36137	35851	42178	43720	33469	37964	36229	31157	30871	37022	34951	37941	24417	25541	35675	37350	35632	41828	44213	39182	43107	42089	44190	42041	47087	49953	39163	35691	40614	44904	49191	41809	55890	43295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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352.2587@14.028017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8015	1	1	1	1	1	8104	1	1	1	1	1	8366	1	1	1	12039	13572	28339	18164	13875	12074	11434	1	1	1	1	1	1	1	11169	12804	14639	12930	15433	14787	15334	15454	21115	16139	16397	11742	23950	16883	17518	13923	23993	14713	12038	11325	29417	17949	18874	22261	22992	21920	23516	21229	22772	22142	21626	19928	20910	22853	21168	23465	24268	26415	20038	21621	28752	24057	22475	20491	21012	17359	23627	22881	26849	26279	26629	24561	19489	17457	20272	20760	18126	17169	20977	22817	21658	20289	31711	29541	21012	18258	25356	25134	26370	23683	21995	20111	34108	38283	38561	37885	39385	34454	31051	33405	31508	29357	52191	41528	33592	34020	36840	30249	39331	35719	32503	35706	34553	32459	38640	29746	30930	34641	31068	31823	35382	37518	35391	36801	39034	34483	38279	32548	50322	38197	36550	29935	34646	34121	40293	49405	38227	36700
C3 H Cl3 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12081	15027	13017	13233	19778	21727	10844	10753	8764	9658	9873	1	39355	36595	11082	11461	9047	10696	8730	1	13063	12431	28292	27847	23056	24027	10609	9251	35425	37560	28520	29744	31814	31864	17920	18192	34059	34118	26281	27678	11165	11206	22763	23858	16282	17906	15258	18049	8742	1	17360	14639	14508	13835	20246	15640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
925.749@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21748	27102	19084	25575	20548	18485	31817	30745	27094	28973	20851	30767	21560	22607	32174	35312	50998	35648	33437	13549	11611	10289	10120	13917	13689	18635	22689	25690	29601	28642	31341	41127	33426	35628	30208	32639	45493	37397	38205	35325	41411	41072	31186	35052	35314	29484	32353	29414	37811	40881	34028	36239	38070	34625	41144	31319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H29 N3 O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102506	80913	95936	90510	134094	101856	98557	77444	87337	98994	79091	69406	89535	89352	54593	32968	45354	37672	46845	45921	45331	44332	1	19787	29036	38494	42167	32208	16369	31843	50978	49225	43812	54489	39601	35410	47702	46695	31883	15910	24032	43346	38768	29371	31765	38059	25957	41936	47038	40578	17800	42711	17590	37361	1	44152	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H20 N13 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59432	47703	29717	67398	46676	65576	56475	121746	34751	68667	47986	65515	55698	40724	20325	21608	25152	30197	19784	27828	43888	23480	89595	62234	32794	32628	30036	31318	19267	29206	17420	15399	31849	10025	27585	26357	26624	45055	35603	34674	21189	30972	25248	20987	19204	38810	26389	27114	53099	38412	25383	36927	36702	15928	35254	29162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C17 H2 N3 O18	50334	1	26517	45644	40510	24528	28640	19361	57809	1	33576	28853	26938	16244	18860	25593	26594	1	1	1	1	16900	1	19448	17186	1	44626	20266	18593	17852	11898	16387	1	23289	21762	37083	18971	26295	28522	23118	117400	16442	16723	35909	16332	30810	24302	19545	14694	21547	20443	148995	36905	24600	53120	1	26457	18191	21950	23658	16220	17976	13226	15449	12438	16792	22426	29284	16106	12156	18691	13183	29981	17468	12745	1	1	15485	64747	20929	1	27599	1	1	1	11808	10114	74066	13673	17253	21757	16330	20671	25932	29222	21437	40429	45745	31769	29018	44325	23818	21697	25215	1	22265	15066	19917	47477	25916	18382	10455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
387.1541@0.97599995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14188	13577	1	1	1	1	1	1	23666	27019	1	1	1	1	1	1	1	1	15043	16331	11445	11279	1	1	33819	34456	20935	21624	21734	18624	1	1	18924	19705	14514	14079	1	1	9200	11514	1	1	1	1	1	1	1	1	1	1	7275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.0455@6.4153047	16228	15449	12632	12278	10758	12639	11851	10604	10686	9309	8964	10265	10568	10453	10705	14827	9518	8857	10073	10797	8521	8916	8746	9936	10578	10283	16247	10310	9976	10113	15548	13899	14920	16526	10068	12108	11434	10194	16902	16287	10198	14097	11890	11919	11531	14120	13814	16903	11703	14667	1	1	19108	18165	11029	12642	12122	14333	6557	7075	14043	14245	1	1	9811	8079	7009	7745	8455	8964	1	1	16479	15597	19913	19178	17663	17789	15662	16015	21973	19234	17889	17721	16923	13821	9971	13890	13208	11858	11474	12813	1	1	14777	14422	14693	14231	13268	16490	16836	16287	15339	16766	14396	14303	14513	15581	17193	18401	15804	16071	32819	15810	10192	11325	7830	8718	7556	10681	1	6857	8683	8786	7971	10840	10441	11016	8518	9270	7739	8810	6931	9746	7621	9851	9476	10624	8648	8077	7837	7868	8065	8610	7546	7402	1	6625	1	1	9148	10359	1	1	7956	8987	1	7771	1	1	8588	7840	7782	7259	1	1	1	18675	1	1	1	1	7040	9414	1	1	1	1	8192	1	7890	6974	1	7994	13567	1	8625	9383	1	1	1	1	1	8727	1	9097	1	1	1	1	1	8771	8324	1	7793	7808	1	1	1	1
478.7582@0.874133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23715	24750	24977	22444	19461	17682	31923	27009	26397	28233	22194	23696	9593	9674	14020	15086	25344	31505	25369	30480	21532	25203	15132	14631	13450	12662	22803	26612	10475	10836	11035	9354	12410	11099	8448	8779	10455	7775	13580	8447	29783	28332	15365	16230	21208	17846	23261	20450	29621	25805	19095	21628	25451	22730	21549	23527	23140	25224	23707	21868	17822	17771	24784	23697	17922	16277	23088	24223	21727	22615	23417	24226	22743	21995	22920	22341	23432	22218	23613	24758	24215	23252	22590	26650	21156	21833	25204	24759	21609	21878	23575	19544	23881	26478	17260	23887	14789	14718	19956	16577	15831	18576	23954	23932	20241	24276	7220	5850	8667	6880	7160	7056	7872	11079	9009	8892	7563	8788	14060	10490	8837	7513	9403	8378	1	1	10421	8895	10972	8264	6606	8732	12625	8660	12201	10535	6662	8434	10323	8983	6734	8292	10609	12801	12055	10528	10176	11944	9910	10293	8974	11212
834.0052@0.89100003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18214	16133	1	1	1	1	1	1	22085	22968	1	1	1	1	1	1	1	6540	12884	14405	12565	10912	1	1	33863	35338	25677	27644	18661	18825	1	1	24923	21889	16550	16060	1	1	14030	13544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H16 N5 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7496	6627	11289	12123	1	1	8527	8557	1	1	17963	22122	5779	1	7162	1	1	1	1	6622	17611	14756	13097	14986	6105	1	15114	15000	12766	14611	23895	21365	11724	15421	29947	31461	28756	27446	11467	10644	26276	24730	11260	13336	20604	21199	9605	9703	14924	17709	12726	12080	24241	25426	29828	30070	22825	24570	37687	36858	40410	40769	25466	24702	34131	34020	26600	25715	41352	41717	37298	34506	43994	45531	31497	31076	40731	38536	42424	45053	32725	32279	38932	39145	28498	26983	22496	25573	14115	15207	33524	33906	19717	21413	35461	37880	20763	19871	40691	40982	44674	45985	22971	22571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
alhpa-tocopheronic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8442	7892	7354	9398	13177	13361	14468	12554	13451	14347	11672	13167	10569	9241	12083	11110	16616	14942	16518	12414	15100	15230	27806	26132	22156	22696	15458	16912	20471	18692	13855	17696	10608	10679	10183	8899	23674	21302	24857	24562	18830	22158	21207	20171	16559	16331	16408	18692	12753	11749	19232	19643	18076	16765	27443	21079	26964	25450	24466	23087	23350	20422	25779	25518	16619	18786	23984	17289	22865	23791	22827	21943	23762	22611	24846	23059	21802	22370	30569	33430	27219	29165	25648	27809	21334	22554	26437	27448	27510	27349	29618	29590	27282	27483	25798	22536	20857	22516	21506	21410	23121	22776	23132	26351	23158	21851	16480	19149	16181	19235	18626	18521	20043	20356	17428	16023	15605	9706	11061	17348	10716	9011	9857	10126	8539	8841	12722	10789	10433	8650	1	1	8366	11940	1	7696	8386	7701	1	9105	1	1	9449	7230	7854	6447	10446	8368	8862	10651	11665	1
597.5438@0.86160296	21363	17566	21211	20436	21372	17086	18724	20764	15980	18342	17144	20388	19718	20288	18089	16885	19975	18960	17823	16036	20874	17284	16746	16428	18249	19509	18983	21254	20104	22520	8830	8845	12088	13768	1	10584	8511	11290	12657	14338	10801	11832	11115	9887	9367	9968	9284	11854	8391	1	7093	7839	12647	18487	10240	9812	12537	16900	11381	15068	22775	21995	18573	17425	20879	17402	21847	24077	19666	22542	13808	19730	17926	16963	22647	26729	20034	16699	13811	13741	12046	16322	17741	16751	14537	18682	24721	26902	20189	18411	16613	15455	13386	12157	20224	17820	16533	15677	24137	20043	18681	16761	19409	19818	18217	22533	23953	20943	20164	17260	20940	22144	22167	20520	1	1	1	7919	1	1	1	1	1	1	1	1	6759	1	6909	1	1	1	1	1	6903	6868	1	1	1	7532	1	1	1	7526	1	1	1	1	1	1	7267	7092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7228	1	1	6855	8845	1	1	1	1	1	1	7871	8151	7775	6711	1	1	7827	1	6639	6418	1	1	7639	6599	1	1	7380	7210	7238	8147	1	1	7758	1	1	7667
2R-amino-butanoic acid	286104	283117	358072	366890	231107	227373	386489	386535	317980	313831	233660	233884	283218	292408	351620	340722	291182	275455	288427	283573	194019	206015	504831	530808	299429	327460	299845	290814	428835	442289	23035	21079	28603	29283	19593	16485	39098	38554	63645	60253	26361	26594	17455	15912	25261	25013	46242	52829	1	10643	18040	22340	73165	71562	1	1	40916	43449	71196	71593	87018	85774	123286	124215	61581	62572	75505	74063	65680	67173	155454	154747	63376	59295	76705	73245	52647	52480	92738	99590	123841	121823	99458	101999	80747	80347	190935	199126	158836	167291	184498	189692	88318	86733	189206	181974	159315	150852	85653	83157	136652	131614	117955	117743	123050	118948	53208	53334	97655	99162	87484	83633	128593	118164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tazobactam	24001	23048	22079	20335	22142	18867	19013	21542	23741	21647	19513	20434	19514	17869	20856	21020	26133	21135	19770	19298	17851	16184	14353	15514	19780	20994	22175	25216	18265	17834	22170	21720	21137	25517	13106	13484	13516	12962	20551	18627	16775	16981	18483	16763	19270	20166	17504	19633	17759	16817	1	1	20477	22620	16121	16075	17104	17219	10077	13250	15268	16432	10182	9269	12360	9894	8762	10744	10710	10813	7987	8009	14172	14706	20354	18167	20309	18349	17928	18301	30019	24192	21710	17953	16276	15586	18040	16608	18170	17321	16239	13684	1	1	18530	16877	17677	16711	15373	15894	23199	21068	16353	17766	17134	16511	15558	14677	15349	16936	15629	16344	30569	17454	24023	25810	20568	20287	22882	23577	15848	13220	18755	19933	25768	25206	27345	26574	24981	24097	21456	23868	18917	21454	21717	23476	23387	23947	20083	19551	17246	18647	15400	13964	23915	22797	17732	17966	17699	16337	17138	15723	15620	15594	22296	23841	16716	18574	18922	20161	16833	19342	17994	16912	11844	11614	15347	14278	14842	15549	11045	13056	15340	15755	12377	12759	12889	15593	11733	12681	10614	9812	11037	12756	11235	10331	16389	14473	10745	11306	12030	12532	8979	8975	13624	13443	14606	13243	13279	12778	12389	14569	14539	13119	14504	11750	12032	14849	13450	13347
1028.443@0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9712	7111	9569	9232	9514	6794	9488	12469	7026	10521	11758	8414	11917	9977	12170	7716	12272	12888	8485	8322	14199	8450	12803	11066	6754	11027	8557	8432	33990	31456	19587	19904	6762	6885	1	1	6698	6323	7098	7307	10759	12434	6184	11812	10925	12776	11183	12397	9011	11201	13954	9747	13289	11648	13048	11944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.567995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48408	43777	56928	27640	35809	36009	41073	55350	29508	34673	50638	45940	46386	39371	16315	19836	15690	1	1	1	19356	28405	31888	26823	29019	19412	30338	15224	21426	22475	18891	18838	25035	22685	21807	21571	23456	15384	28595	26348	17733	16229	20050	21075	21512	21189	39032	17662	21597	16895	29244	21827	17828	18513	75648	16214	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118785	80088	85490	85879	37392	56279	80432	78979	96672	97607	122661	86855	43815	59718	24896	40357	85348	69664	79569	99312	75780	67726	48696	44783	56121	59074	64838	89684	38168	32074	41231	38897	39735	44945	16169	15407	36299	47825	56486	34321	97643	64334	58613	54191	85636	56221	72050	59251	78871	80736	83340	77118	82696	68195	30994	92251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.9118@0.89000005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16680	11322	1	1	1	1	1	1	21935	17698	1	1	1	1	1	1	1	1	16388	17340	11880	11202	1	1	34593	33925	17183	24887	18738	21716	1	1	23061	23338	17110	17424	1	1	12767	13280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
508.7055@0.86767143	25740	28195	31969	25532	19492	17104	27671	27892	27478	25843	20709	18114	22724	22255	21784	21638	27059	26409	26045	20272	19851	21999	33330	31766	21914	18816	21591	23604	30150	28129	13674	10853	14852	11301	13690	12101	14753	12926	13265	9256	14111	12171	9576	14400	12381	1	9802	9560	12330	12669	1	7289	14730	13645	8320	11007	14264	11134	18160	20541	22087	23254	30331	30343	21973	19606	21239	20299	14284	18033	22946	24482	13979	9684	20538	17228	19323	18154	23970	19237	28576	28144	29142	29456	19458	16207	17218	17090	23110	19103	25344	22953	21468	17624	26668	27997	28924	28559	21996	20103	32272	31237	25251	25240	25973	29901	13976	11578	22985	26098	20355	22915	25801	25128	8905	8344	8741	7492	9324	6214	10817	7183	9225	11296	12379	10441	7849	8902	7037	10994	8906	9039	9812	12356	9597	10310	8426	8536	10187	8505	1	9872	10758	7773	8223	1	10285	7960	1	10139	7211	8859	7195	8368	7569	6413	8949	8560	7601	1	10574	1	1	7885	1	1	1	7244	1	1	7547	6685	6809	8016	1	1	8697	1	8027	1	1	1	1	1	7490	1	11418	11754	1	1	8114	8255	7219	7031	6780	1	7180	8806	7306	1	1	1	1	7932	6907	6736	8580	8944	9199	7319
<none> nullnullnull 0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7723	11138	1	1	17744	16749	7037	1	8512	10218	10925	1	24692	28189	14436	12863	11652	16152	8075	1	1	1	17707	20594	12532	20233	7833	11517	32151	31559	18905	19880	19839	22638	9315	12018	25813	26581	17502	15764	17092	10360	16840	18762	10524	1	14505	10445	13108	14588	9436	17748	11481	10243	13112	11386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyruvic acid nullnullnull 1.1825122	14975	15224	1	1	1	1	1	1	1	1	1	1	7234	8151	10088	10275	1	1	6841	7713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8646	9650	1	1	1	1	192578	202480	346830	358953	886805	895619	1366981	1356258	249265	260901	232754	207958	1293582	1384561	32402	32193	219246	225218	1365276	1356247	939373	1584654	1089604	942851	1098493	1977213	1238106	1235338	261090	282099	1233607	1285391	1250943	1312211	61682	30576	1264557	1354734	1108923	1122802	653103	632192	1342970	1269662	553712	608288	698467	693128	151542	152964	47884	55273	168343	163789	469103	589402	38445	27919	426407	423286	46795	51301	448444	452905	26196	159882	328821	325103	745561	771675	842811	827323	547810	525098	48454	53399	44554	392996	41981	45919	498925	495384	676444	666782	538526	543872	34956	36582	587217	599898	670639	693514	721528	725505	491119	497346	560188	566360	481091	487519	929736	942193	723220	707978	890370	903452	1	1	9160	18867	643599	657826	346793	342633	701305	725618	9475	7273	14866	11678	1	8253	12148	11574	1	1	129207	135041	754371	757143	9667	6850	139999	135826	214497	20701	1	13156	216050	221995	1	7937	19154	11825	488819	495372	14216	17327	17247	16686	595133	591678
565.5952@0.8668489	22102	25037	29001	24995	25448	25063	23445	26407	27152	31970	28448	27521	28371	22555	25961	23132	28592	25847	26202	29861	29633	23591	21436	27879	25147	30906	23240	29257	27441	18093	41464	42586	40971	38214	42445	43275	43037	47077	39066	42172	36271	36266	41307	44757	34425	34942	41026	39380	46896	46047	22782	21782	37497	40292	54634	58859	37296	32591	18063	20872	24223	20205	17854	16202	22298	23154	25227	29036	26801	27572	19958	17170	16011	17143	26732	25296	30155	19696	18984	18715	13060	13533	16360	20427	25413	24887	11730	13468	16577	16631	17093	12371	11798	13300	21878	14400	19699	19656	20556	25552	24246	19939	16428	17972	22266	17446	36679	29599	21382	18067	20189	22496	15566	14695	25283	25727	32495	32207	13595	14355	31342	28136	37852	37672	25782	25607	27336	27765	23202	25579	25170	27556	23365	25571	25328	23880	28262	28481	23926	25171	27485	22306	26721	26840	32959	34538	31167	28241	37510	40424	24531	28440	32595	32343	10933	11962	35092	36074	9719	10802	23127	25442	33501	36235	13698	13483	14565	16516	10519	11146	36374	33354	6270	7943	18093	19440	25740	28823	16279	17113	14675	14541	18237	19029	9787	9627	6613	6687	17187	17496	10631	8457	9675	8013	17763	16759	7940	8590	19006	15976	12411	10790	39807	43646	11321	10073	7246	8469	9687	9426
> limit nullnullnull 0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19862	20460	18663	17523	13823	10157	24536	23098	22976	20744	22420	16065	10466	12021	28919	32732	43785	45295	25732	12232	7219	7251	1	9226	9712	17178	19742	21418	16665	18326	12395	16826	18969	22527	14287	21533	17425	14266	19466	17727	43745	41929	24442	21947	31875	25737	25250	29375	52082	47432	31764	25606	28203	32200	33037	26742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.9703@0.89113736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18961	19148	18732	18021	24170	25444	14693	13952	14243	13774	12007	13505	28790	29306	17687	15326	14620	13479	12283	11995	14248	14112	21980	25044	20880	23468	13095	11194	25512	26967	24372	23465	26729	30641	16344	18791	28989	31834	32931	30190	18085	19164	27203	27705	27532	23511	21401	26141	9004	9818	22235	20148	21300	20384	27616	23270	12541	15115	10795	11029	13824	16615	14641	15005	7534	8109	13776	14032	13746	12067	13608	16216	14641	11245	17817	17341	17536	17041	12914	13809	16493	17045	14996	14906	15041	17202	9470	9920	14838	13379	1	7984	12743	15002	8333	8986	20675	19887	9293	8197	21070	23277	16800	16973	9071	9658	1	1	1	1	1	8756	1	1	11729	16939	1	1	9894	10172	1	1	1	1	1	1	10909	10694	21559	22343	1	1	12272	10837	15610	15127	6090	1	14589	17949	1	1	8976	11516	1	10155	10714	11381	12848	15368	14746	11208
451.9162@0.8620531	28114	28978	9282	28209	32634	27993	23936	9517	10581	26885	25273	29944	26810	29372	9181	28855	7835	22913	27300	9668	28135	31902	20940	25962	29204	26973	29760	27013	12888	29574	42657	39322	45227	45676	38648	50954	37182	39279	43563	40396	43261	40403	36456	63950	58727	36083	54973	51475	47214	58419	43471	62235	57973	46997	48758	56969	56146	62808	27566	29262	26835	26619	27305	25946	22498	21417	20464	18890	14787	16308	32815	36435	19864	20250	18044	20073	20396	20005	18996	19319	25779	27460	30787	28613	17144	17417	25245	24846	27794	27706	29128	30751	17178	16405	30759	33908	31718	32825	22105	22648	33082	30916	31598	29392	24309	28198	12378	16357	27014	27003	27998	24228	34705	29624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
817.3029@10.835003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8336	1	1	1	1	1	1	1	12237	9484	1	1	1	1	1	1	1	1	36737	21131	10801	9010	1	1	11766	11842	15129	14605	15843	11353	1	1	13934	12151	15297	13144	1	1	13912	10345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Carminomycin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15069	15529	14138	16193	22808	20597	12220	11988	12101	13494	10639	12650	28830	28712	8206	8183	12735	13269	13517	12940	17549	18542	25718	23224	24456	26040	12343	14194	27446	26060	24360	26159	25845	27696	8704	11073	28659	31460	29468	28361	12997	13943	23705	25999	18526	17757	19211	20651	9776	8875	18164	17355	17346	15597	34085	23659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
587.6202@0.86276406	33845	34639	37567	30766	36465	37746	28974	32514	37693	39022	35880	42581	40251	44374	35222	33930	33023	33634	35457	28416	34739	41361	32955	37457	37165	36498	42838	34603	33375	32542	58869	64546	66626	69425	65049	66986	63573	61572	60620	61243	65235	64140	64789	59266	59100	63335	63067	61389	63918	62880	31896	35659	55359	61029	59271	58721	57002	61447	22485	22436	26867	24114	20011	21364	30116	25757	28135	27801	27849	25051	13392	13751	17873	19666	28692	29736	28885	24007	22394	22458	15791	14747	15927	21211	23616	27203	17428	14671	13608	13597	15292	17421	15103	20103	18130	22427	20513	22523	25581	27847	22548	20320	22460	25612	24768	24764	33925	29675	26031	26967	23867	26726	26201	25346	23964	24938	29802	27043	14097	15566	23006	23524	26948	30465	24722	25515	23573	21184	24054	23798	24713	23064	23738	23207	22022	25045	24833	26043	25080	24051	24832	25848	25351	23134	26566	30324	24343	22377	34627	27421	23396	24217	29858	27867	12311	13257	28506	26131	12294	13528	22144	22989	26169	25569	16622	15284	16019	16415	13098	12843	24882	25833	10540	9236	16435	17669	21426	22961	18446	20184	15261	16968	19455	20004	13005	12876	10287	9997	15754	18424	9759	10982	13409	12140	18494	18727	10554	11519	18746	19436	11171	13548	26201	25910	13365	13860	10602	10813	13005	11592
C6 H3 Cl O10 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26169	22761	23019	22244	27767	23107	19235	20208	21262	19254	16841	14931	30831	35520	12848	9331	13097	16418	18433	23507	22914	27112	26789	28217	25505	26067	16846	13214	29366	32219	29047	24202	29804	23106	15186	18223	27525	30230	28164	25471	18233	15077	27764	22850	25904	20900	23033	20727	1	13425	23429	20259	19491	21373	21694	20597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
796.8408@0.84061885	27907	26966	29650	27498	35990	34637	29343	30237	31659	29551	29582	30897	29898	27782	26927	27537	29155	30279	28725	28667	29784	28769	29017	28849	33383	34779	29746	23915	26105	31954	39448	37551	33931	38579	32529	33253	32328	35112	43146	39583	40749	35832	38794	36028	36938	32545	37418	37366	31586	28958	37026	33536	42553	47003	29272	31943	36169	38970	32266	34365	36471	33895	33303	30760	35654	37919	34638	40175	35511	38911	30186	25492	50871	42960	56075	53094	40057	7777	16343	14941	25285	21985	25787	28620	29536	34304	31872	27873	33299	35564	32883	40199	31888	44575	42149	42909	43647	41757	55079	54980	48498	43486	49584	58912	49021	52266	56190	51620	47312	50084	52845	52361	64939	47975	20471	20942	21588	17680	22756	20590	22418	20992	20223	24101	17947	16735	19688	20916	21440	15962	22850	20778	18782	17559	20871	24383	22457	16702	23401	17526	20585	20917	18335	24034	18882	24044	25218	20450	23513	23404	21722	20601	19616	23656	18313	19608	20956	23807	19827	22425	20933	20323	18541	20825	16453	18335	21234	19909	17093	18133	28682	26892	18224	20089	23195	20684	24936	24527	24454	22809	20115	19291	20980	22139	18613	19365	17862	17822	23031	21187	17700	16482	16435	17913	20383	22579	18245	19549	22253	22224	20675	19518	27492	29932	18801	19503	15164	18037	18103	23058
979.9856@10.442999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	160363	1	15101	30297	1	1	1	162301	33683	1	1	43685	1	1	7959	16538	1	1	1	1	1	1	1	1	1	1	1	1	57947	22936	1	56932	1	28898	22559	11155	67303	1	1	1	1	1	1	1	91403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.4073@11.601995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25654	18993	32273	26511	30488	1	30191	21562	1	1	39751	25674	78725	31514	17902	14488	29077	26188	22484	20796	114654	124407	459920	403008	170586	50891	59524	41077	1	1	21966	27966	49415	23822	13313	15008	94755	26898	96506	42046	53883	37853	134703	46751	35274	31096	261544	43821	18847	18711	111314	55577	25169	27451	78803	26546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) nullnullnull 10.906004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38519	38638	20398	542520	51677	29316	12742	11492	431976	347800	13336	6866	41467	25762	9047	9466	336087	305908	18734	15180	736599	654880	380859	111638	49565	777237	19258	449396	21829	19313	33760	38301	1298479	34042	273777	262507	58861	693812	66712	38422	588437	18681	62485	997390	22161	18055	1785956	555424	8663	266941	797377	587853	27925	31172	1	579387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.0139@0.8939999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13573	15489	1	1	1	1	1	1	11612	12450	1	1	1	1	1	1	1	1	9540	11330	6586	8116	1	1	14987	14882	13769	14106	9701	10750	1	1	15670	14700	10142	11663	1	1	9500	11528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.8056@0.8504906	67809	68089	74807	75572	66349	58217	65637	73661	69286	67996	64875	65005	75357	76947	61359	69795	75899	62109	66517	72045	67061	68502	71640	67572	67948	65736	59879	67017	72625	73499	91553	95207	94695	94184	96030	94415	93394	96198	82277	86871	86976	93831	87427	87608	90153	87454	83936	84606	94286	97701	45715	49620	83154	84462	102791	99970	86749	90060	53882	51441	51999	52140	68768	75924	44651	55593	55723	53775	56681	44392	83932	79727	41841	25352	46509	47076	55835	60647	41916	48158	48670	55679	53634	51725	49331	49956	82672	85286	78552	75008	76838	83118	44974	44669	87256	98097	72543	73986	49600	38904	70416	63337	44100	41856	45029	41935	45761	53132	44804	47885	51189	38031	50627	44529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H Cl2 N2 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45283	43556	47522	34839	79927	79708	42944	34282	47995	42197	43570	38993	74852	71595	44001	46821	40612	48025	42665	31703	27469	21249	50174	53286	59397	61604	40931	45392	77802	77212	92769	93813	90807	100314	101492	106054	126908	115544	105721	100703	55722	42286	93833	98372	55749	58713	65085	54380	38581	33409	54341	53046	48094	50732	87545	67987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.9229@0.8850001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11259	7682	1	1	1	1	1	1	16055	16404	1	1	1	9235	1	1	1	1	9336	10172	7352	9527	1	1	19299	17414	13735	14040	12194	11075	1	1	15458	15958	12334	12374	1	1	7364	10061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Fumaric acid nullnullnull 0.93003744	84502	83635	80604	79658	85266	83472	75891	69743	99566	96882	86611	90911	79443	83246	62792	61996	98972	96355	82467	81401	74276	81435	1	68530	89293	103823	77308	81760	70580	68637	112725	114783	124477	120064	118663	111932	122553	118772	92474	94452	124660	125186	92937	103593	74669	75766	89304	89681	100071	107077	80411	79671	100879	96433	132427	131891	141890	139902	8189	9874	8321	9404	13352	10891	56225	55026	29079	25687	8308	9299	12114	10695	6318	22166	16660	14664	34680	36667	62571	71099	29321	29775	71541	74776	61842	56737	21158	23136	37076	36480	15881	13442	19414	8081	26861	32058	62879	65216	50679	54917	90755	78935	21703	32557	26213	28213	11271	8700	42297	14211	33778	25436	15194	12729	16096	22957	14894	7640	7333	18270	21752	24421	7982	12929	17303	23564	10659	26463	10887	13758	19720	22097	28190	17489	15982	18314	10267	18898	14594	20556	12233	20389	16353	23151	15188	8565	11949	16258	6600	6864	6883	21898	13887	11808	12731	16160	14340	8442	11437	21447	12651	11237	7886	9707	12613	14394	6875	8609	12956	9797	12743	7136	30088	18787	104540	7279	11890	7662	13648	11076	8044	109856	15002	10410	11962	12648	9404	20444	37628	55248	14220	13802	71598	11606	17490	9021	19669	24335	7311	10981	11058	10322	18932	19137	9597	33869	10022	15573	6512	13092
> limit nullnullnull 8.07358	26990	24918	10520	12073	1	1	18044	16705	26920	29579	14203	13817	19881	20862	20551	22522	15338	15846	19909	21118	16739	17453	20909	19549	15480	16488	38241	40649	26616	26969	39399	37557	32096	32531	40471	44070	39030	40580	41790	41173	40995	41541	29768	30289	42265	41491	39413	39753	21432	20810	11194	12405	42271	39183	10466	9897	26123	27833	10210	10975	12788	11423	10398	11029	16612	16515	8448	1	1	1	18388	18511	23371	23543	9176	9246	24409	24081	23044	23344	1	1	9552	9873	1	1	16712	15375	19848	21180	11070	8355	1	1	18187	20154	17489	16973	23225	22512	29101	34092	23495	24034	10874	12950	1	1	16964	15906	16402	16344	10016	13468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
156.0033@1.0919993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39388	41793	46021	44217	102996	100802	34090	32927	35814	36492	32259	36140	162977	171254	23997	23773	41042	40693	29246	30628	37514	38985	71906	79907	63332	69401	26121	28758	107119	106053	76428	78343	103006	99111	22981	30596	93621	94766	85879	82424	38308	38760	73293	75431	51040	46016	59449	65574	28675	25648	46134	46292	26007	25459	62671	58523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
798.3324@0.8450002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17529	12359	18802	19185	12054	12651	15989	18292	20276	21425	22887	19678	9631	9457	24204	21988	24942	27198	19886	8490	1	9711	1	7689	11266	16048	21337	22974	10890	8508	11005	12776	11924	12743	23249	20637	14125	16598	21893	19352	25445	27118	21202	22234	25882	24192	26007	21818	27036	26952	28537	26799	26792	21708	28658	26234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H15 N5 O14 nullnullnull 11.7199955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87014	148109	71545	88747	70640	150144	92477	85433	88666	101351	62469	84505	76921	82085	39183	52724	57986	30661	33340	18652	25277	13628	1	1	27932	54143	38106	29073	27871	54687	30767	34814	28606	42908	27769	35069	44420	11856	23097	30497	31728	27771	45024	47322	27348	54655	1	28481	60921	33179	26271	27803	47420	47047	1	27112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
875.9669@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9120	9911	8484	10857	43919	38028	9065	6920	1	6863	1	1	42567	44682	1	1	1	1	7305	1	7245	9316	32248	33504	26986	29273	6244	1	40046	38470	40422	46184	38435	36255	7166	8083	47358	43986	39611	39798	1	1	32347	35721	13033	12567	11974	10979	1	1	11022	9958	10366	8105	11877	13402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Phenylglyoxylic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14344	11966	13263	13167	15202	12528	16834	17597	15814	15008	11351	11162	13280	13465	13829	8676	16343	15816	14969	20361	13785	14078	1	1	11584	10665	12866	12343	9132	8622	11318	8405	12745	13758	9034	1	14068	15560	19186	19522	17366	17046	18660	15245	13451	14399	14652	17951	19577	20083	9998	10601	16073	12828	19557	18860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.7098@0.8634904	62100	56823	62968	58175	55445	50387	54943	54661	65174	64913	51628	53452	57900	59483	39516	40934	64673	59798	55871	54517	49432	48211	46758	45804	50242	60830	52337	52986	55234	46488	42914	41110	46926	53343	41242	41208	43280	45737	30423	36554	39754	46908	26986	26339	20205	20309	29356	29330	28968	27171	11041	10105	33373	33644	43881	45324	60869	54830	48785	62900	44497	44249	54377	42324	51274	46263	50026	54403	39323	46226	42158	30630	27643	32787	48102	49914	47353	55033	47023	51232	42932	41402	43234	51554	36504	39673	34834	32472	32216	34247	37324	36384	33258	25469	38035	37341	38896	44331	44038	54700	42691	43336	44952	52492	45815	55889	36519	44847	45858	41741	49304	49332	54387	52474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H34 N4 O6	8429	8895	8606	8748	8355	7861	1	9396	8230	1	8731	8733	1	1	7943	8380	1	1	1	1	8391	1	7074	8873	9113	9425	10565	8743	1	9369	8793	10484	9157	8712	20768	21867	9696	9913	10153	8712	9287	9335	1	9648	9925	10111	11160	10648	10572	10470	10684	9933	11036	8774	11007	11384	9776	10503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12650	11446	11277	11248	10092	10484	11500	13586	10542	12957	11790	10001	12836	10329	11329	12062	12616	11595	11627	11532	9216	13948	11167	15994	13271	13688	12594	13883	14113	12703	14111	12392	15337	13701	14069	13939	13545	12391	12436	13640	354032	15183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36546	39293	37448	37467	41627	38693	37854	40484	40710	40834	36530	36648	38056	40466	19927	19419	17352	15206	18812	18027	17343	17948	18943	19560	17686	15515	18673	17766	19923	19370	17636	17072	17106	18116	18876	18873	16236	17225	16990	18274	19641	20872	17674	17908	21197	17486
492.7246@0.8775629	39701	43450	43077	42482	34641	34921	42884	46902	41145	42668	43551	35555	44040	40827	35309	35482	46516	42667	40425	45203	29495	28775	41906	41953	42134	42337	40890	41000	36974	43303	22914	23910	26443	21842	23003	22494	24289	23389	24701	23931	26844	23605	18525	21250	21510	22711	24470	24896	14805	15855	11968	12885	29588	28135	17901	16028	32700	30925	43804	44174	50704	46198	42899	46194	42636	45245	48870	46923	38742	38337	37184	30393	34118	31647	43089	50457	50750	42430	48001	55333	38980	40361	45581	46037	43709	41453	31238	24556	32168	33555	37855	32402	32857	30049	40215	37359	42076	44095	42619	48994	51570	44539	49364	57806	57438	57065	36154	31870	52142	52086	45739	44649	61479	52016	34924	33386	48941	37004	46481	42506	46911	47533	43319	38072	41004	40015	38228	35188	28312	31168	40403	40923	28976	27246	28159	26589	40937	43548	32322	34444	43644	45157	27598	30472	43741	46339	32385	35524	47122	46689	47570	49468	33280	40406	17749	19138	34561	37607	40755	41532	31427	31607	30927	29652	17270	17736	25038	23319	18566	21404	34749	30012	22884	24767	28424	26400	22461	23502	23250	23345	26640	25114	26147	23291	23148	22701	28122	23879	28817	30639	18673	18905	42083	41237	22222	23339	28012	28757	25718	22099	25179	23150	20722	21122	24620	24029	20254	19389	21195	17258
C9 H2 N2 O5 S nullnullnull 0.83726764	2932418	2903469	2948226	2901397	3141684	3079812	2721121	2698272	2788901	2901331	3128894	3053583	3008198	3026687	2888429	2858159	2742574	2693214	2795642	2732159	2947534	2936262	2562331	2642166	2932390	3101190	2894087	2952939	2699638	2755599	3420395	3395288	3406267	3431972	3472175	3419309	3493431	3436557	3496366	3445785	3383980	3448901	3479484	3531877	3492804	3535712	3502330	3577601	3565719	3502036	3918107	3803196	3918694	3853709	3908972	3881537	3772591	3676817	2004251	1931478	1892267	2038398	1575306	3969	2193633	2044635	2114260	2099430	2056844	2003523	1038550	913798	3092173	2921743	3050136	3006886	2367514	1477091	1171738	1281983	918630	990591	1272250	1401714	2061183	2146640	939685	1007639	1369846	1449087	1399138	1497139	2521082	2574370	1752587	1812960	2047633	2029755	3028427	3069782	2335643	2294039	2820811	2836645	2815994	2814097	3065503	3085648	2817257	2825067	2913459	2882878	3694863	3090947	2891428	2988423	2976973	3041859	2918258	2954198	2983499	2934985	3015369	3084991	3020550	3004001	3025338	3016490	3009790	3013046	3025507	3028285	3001890	2967716	2992680	2971013	3003097	3019574	2998724	3002632	3052951	3053633	3006527	3027123	3069685	3025761	3080229	3038920	3083258	2994780	2997219	2932432	3027979	2960847	2788593	2855507	2963655	3007119	2848983	2816930	2969479	2902410	2932375	2948499	2939995	2938661	3106331	3029021	2923912	2990882	3185555	3224712	2885335	2875709	3090315	3085875	3160208	3167161	3262196	3304069	3172310	3183981	3260382	3319343	3141800	3195216	2987060	3073841	3350277	3287891	3235287	3173408	3135640	3142329	3400633	3343063	3185221	3146684	3418906	3250355	3312889	3260984	3595190	3478791	3188083	3379114	3248661	3285242	3258541	3256542
899.807@0.8389482	105634	103605	104303	108106	117913	123929	97828	89546	111887	105374	127241	130152	121829	124614	116423	110346	96881	105327	118454	109930	116221	122405	91301	89554	117560	121809	114512	109312	92269	99291	94947	93072	92709	94782	86644	88388	89754	91550	107319	107323	93685	98965	88206	88421	86984	90372	95794	95566	65991	76200	97306	89839	116162	113967	72880	77595	107643	110805	16173	19686	21403	18712	16022	13486	20590	21751	19529	19470	17699	16247	15479	12501	33157	34387	35592	29263	22750	10400	8807	10687	1	11707	14361	14612	14787	16727	11951	13572	17167	13961	18518	16207	12704	20211	14591	16352	20771	22237	33178	37795	22963	21215	38591	31142	35408	32452	26520	25836	30078	37392	33796	31623	48111	37771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.8242@0.8418112	32093	26761	25962	29329	27244	33507	28066	26178	27284	30145	31230	26861	30381	30369	28851	27368	30271	32415	26637	30677	27966	24118	26758	25796	23374	25528	30505	32465	25124	27003	24841	29977	24840	29565	23690	22264	25122	26530	26153	20760	26499	22158	22140	27856	30592	24140	28554	23214	23837	25329	19719	19660	28503	25407	23702	26445	22407	24768	75068	77577	68094	78526	40173	37086	91553	89739	94528	90748	82505	82484	20630	28040	55298	54241	84848	82980	78454	59195	42911	43691	23893	25491	38322	43023	71064	69600	29405	26980	28615	27886	31509	34852	31621	36475	35947	37066	36044	39736	82077	77848	45668	48500	61399	68244	61810	61718	78110	73938	64123	64967	70907	66274	53782	66394	13164	9449	12764	12659	11467	11258	13068	13543	14304	11474	13874	11611	14471	13015	13630	16473	12350	16575	15324	13774	13161	17185	14913	13326	15182	17373	14691	14046	16500	13664	11412	17344	12332	13939	12394	12556	13881	13388	11934	13464	12125	12331	11840	10653	12797	13986	13594	17074	8807	11957	12166	11283	11235	11293	12068	11602	10608	11010	11751	10512	12398	15456	15448	13375	13784	11836	10921	10093	9152	9213	16511	15152	15911	14807	13033	11121	16082	16030	17090	14496	11226	11111	13753	15389	10882	10409	16061	14503	12384	11278	16234	14796	16478	14723	14337	16297
C7 H3 N2 O7	196749	201319	250999	258756	186399	190721	268295	271082	254766	244355	201175	193828	243955	245663	223277	233445	235842	232394	247640	242642	170861	164607	299055	291749	247941	257388	214092	222134	268429	276109	20348	19858	47503	47113	13089	13135	60904	63002	94224	94163	26864	25455	12870	11790	19811	20096	55863	59668	1	7156	17179	18574	87997	80673	1	1	34396	33218	26725	27427	25680	26915	37924	37428	20574	21877	24187	20738	17046	14521	22371	20229	15556	15185	22293	23596	18851	16445	34134	32943	23545	25049	26720	25596	21185	18928	26824	24846	30284	27735	26119	25460	13838	14502	24705	26024	27152	25780	33472	34016	33538	30399	20528	23053	33329	35776	18362	17789	31264	31643	29913	25516	31784	31048	66683	69496	103055	106653	59803	60966	81103	76019	42482	41035	98952	91833	80144	77773	100619	101971	87069	84894	111696	116761	84953	81731	91280	87901	108425	114892	124647	121096	97301	106956	65695	65128	102043	95962	55660	55381	102725	102565	58266	59701	73036	73452	56179	56681	123286	118931	110103	110238	56082	54022	39104	38351	39345	40387	40926	38599	33551	32176	55074	58204	43378	44202	70367	70807	42310	44737	53720	54070	33615	33749	66387	65359	71892	72131	43182	44912	67835	69210	76300	78242	42488	43928	64364	66608	44243	43576	59835	58972	38335	37147	59063	58286	77555	77772	68954	65794
?-lactic acid nullnullnull 1.2470005	1.46E+07	1.47E+07	1.71E+07	1.83E+07	1.23E+07	1.19E+07	1.80E+07	1.80E+07	1.60E+07	1.47E+07	1.20E+07	1.18E+07	1.33E+07	1.31E+07	1.20E+07	1.27E+07	1.86E+07	1.84E+07	1.48E+07	1.48E+07	1.31E+07	1.31E+07	1.57E+07	1.56E+07	1.26E+07	1.23E+07	1.39E+07	1.38E+07	1.81E+07	1.83E+07	2473040	2472361	2869711	2874685	1773387	1784633	2292049	2344884	2670059	2728616	2768531	2818793	2785332	2827520	1373441	1421225	3060329	3049379	1396153	1377605	695017	680223	4167111	4111852	1430800	1444253	2451054	2536997	6540687	6462758	8096152	8380874	178616	140862	5336869	5426159	8010200	29647	6979267	6611173	2.60E+07	2.67E+07	4291166	4100318	5698637	5381060	4065433	4071748	5836782	6078501	1.60E+07	170018	1.34E+07	1.43E+07	5309408	5370470	322031	228197	1.61E+07	219291	193629	182557	1	6915176	159154	217190	1.73E+07	1.73E+07	7459330	7056801	1.63E+07	1.60E+07	8159645	8367388	1.15E+07	1.11E+07	5299407	40898	8488488	8716755	7671260	7455317	1.29E+07	134416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
485.6783@0.86654294	35196	38904	37625	40199	39142	36430	32130	32475	37467	34196	37832	34976	39970	40960	32992	37326	35829	39575	32282	36523	42673	38172	28038	29622	40691	44951	40191	39251	36241	36958	20851	21854	22571	21746	22149	23558	22534	23619	22515	22647	24805	21231	20038	23430	21807	21354	24161	24604	23277	21415	12443	15169	23857	25812	19110	19974	24797	24757	32945	30170	25997	20961	17803	20170	25549	27870	28614	30273	28327	29843	16359	14588	25638	25286	36294	31151	27752	21767	24534	22476	15259	17102	18165	17595	27326	29606	12490	13216	11260	15490	14601	12991	17823	13773	18122	15035	21843	19392	33919	28610	16020	20339	30265	30890	30915	28196	33030	34431	33195	36667	29905	27435	31828	29218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.383994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59563	62255	38688	34864	82433	75561	69823	57861	60814	57064	65387	67573	83686	137399	43806	50309	35441	104132	89082	88972	78143	33852	91900	73256	134306	65228	22417	65967	43528	19392	53203	55368	94281	55131	32306	27666	71693	63768	68391	45069	130349	100795	74067	68659	139857	56430	134042	47317	48536	69721	36393	60997	18373	12436	134264	114618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
610.6484@0.8675254	22234	23601	27689	21892	22718	21954	19076	19839	23284	21922	21104	25705	28729	24740	21487	20633	22300	22242	20663	23246	24195	24015	21228	22116	24072	28388	27234	23878	21723	27584	17511	23404	20892	21292	19801	20806	21931	18711	19881	22099	16177	18967	16815	13215	18853	19395	20128	21485	19448	19096	7726	8491	21846	16807	14335	13409	20939	23398	29491	31708	32727	33378	20705	17863	32492	32040	34926	37873	30987	32857	15518	14527	22378	21097	34076	35815	36116	34405	28219	34755	16789	17581	23317	20379	25941	29718	13822	9797	17925	16442	12884	15467	16523	18775	12783	14748	20212	18512	37995	36037	21862	22146	31597	29313	31932	32931	31456	34955	27817	29061	31700	36516	34872	34682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C7 H11 N4 O3 nullnullnull 1.5863711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20958	19543	19677	15386	96917	91688	14427	12539	11551	9899	17402	18255	82175	87677	14581	12467	34186	32717	23228	24169	59198	75626	110221	108982	65962	80566	25998	23349	240881	256696	181983	184884	153948	156779	16424	21677	246563	240929	136606	177349	70029	64652	197610	182058	54700	60101	77687	83420	32827	34198	61895	64320	66569	62305	113044	102200	17920	15334	25651	27587	24426	23126	74825	75551	20842	18127	23209	22313	55148	41548	20880	21777	27258	26246	23803	25281	33664	31180	29722	30638	59164	57933	28325	24288	59553	56284	19345	20473	28481	32756	27859	26803	21110	21965	29529	28344	27220	23408	22228	21934	30824	29886	20738	21584	35567	37625	19056	20040	25132	28946	17994	16946	16281	15641	63806	68108	39112	41670	28761	32649	14163	16601	44384	48969	10475	9903	45896	45297	65869	73775	32977	33346	52704	49770	69893	73510	17323	14119	59661	62739	17552	18526	29464	32366	12423	11727	41538	46299	59242	59199	48426	47668
468.9985@1.085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8714	7499	1	1	1	1	1	1	39871	28286	1	1	1	1	1	1	1	1	13838	7880	1	1	1	1	15887	9086	1	1	27397	25527	1	1	19218	21392	8665	6878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
13,17-Octadecadiene-9,11-diynoic acid, 8-hydroxy-	17628	19799	1	1	16186	15953	12097	7508	11500	10513	9400	11812	15737	17930	1	45481	47756	12998	16491	57066	14099	15213	17013	1	9728	9993	1	1	1	9480	1	13892	13898	11288	8140	1	13484	14821	1	10658	18160	23810	14322	11294	1	1	46113	22485	1	1	1	1	21915	15971	1	1	16486	1	1	1	12878	12202	1	1	11751	13961	1	1	10439	8177	1	1	9130	9674	12339	13075	10599	11708	20602	17637	20896	13788	10862	15360	18333	15493	1	1	9343	1	1	1	1	1	20147	1	20870	11448	15968	12378	11752	18716	15260	10861	13477	15359	7106	1	23022	15655	11218	10150	16163	14760	1	1	1	8866	1	1	9225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18395	13083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15906	1	1	1	1	1	1	1	1	1
540.0301@2.6360006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18576	17293	1	1	16617	16140	1	1	1	1	1	1	34051	32300	1	1	1	1	1	1	1	1	21033	18942	36739	35870	1	1	34338	35066	24271	27511	24817	28005	1	1	22850	23184	43563	43934	1	1	20600	23094	1	1	1	1	1	1	30024	28155	21666	21087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
788.936@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19719	19294	18601	19404	49914	45350	12840	14354	16522	18819	24249	25317	49321	50927	19465	20984	23018	22790	15593	1	8648	11335	38172	38510	28836	32377	24707	27810	54635	55041	47247	49807	46258	48089	17019	20864	55986	58934	50543	52696	19324	15778	44028	45292	27681	23862	29950	29673	36422	34395	24151	28520	29571	23252	34074	28524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.9349@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20472	22454	13621	11783	19396	18535	6920	9609	6649	9828	18474	16157	18278	24866	10224	10338	10567	12531	12662	10879	10914	8581	32076	29344	26173	23315	13273	16734	42224	40878	35006	36346	21181	16606	10250	11736	21536	26808	18902	26642	1	1	23201	17835	14205	14775	14596	14538	14668	13922	16103	18214	21175	16201	17456	18323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19130	17939	15761	17508	22443	19433	18496	17522	17843	20821	15756	16874	25343	24511	10323	14739	19346	19026	21467	18697	13636	17347	19980	15253	17968	18496	17727	16115	19094	16384	16383	15719	19341	20404	1	9946	18439	20318	20180	19936	17589	17585	17422	16581	14400	15730	16489	17353	19066	17083	14354	16048	17171	16866	20356	17488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H4 O24 S2 nullnullnull 0.83974016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28720	27128	20789	17478	26409	28176	12975	14208	19274	19955	21103	20139	21533	21486	38195	34658	24143	24460	21149	10321	10445	10543	17956	22177	23050	24321	19115	17253	28405	23659	33036	30215	33099	33295	25863	45404	38305	41293	44823	41429	30711	28919	50535	43118	39523	39105	33156	35382	20429	27300	37454	38706	37501	35692	60123	41109	9199	7792	7960	8482	12724	14078	10084	8171	7929	7527	10059	14317	7010	8216	7752	10917	10864	5463	9911	11827	7025	10445	9875	7297	6824	8677	13076	9645	9854	11183	8699	6212	8033	9373	9132	7851	11545	8376	8093	6403	9447	13108	9151	9173	16464	15084	11972	8281	10870	1	16473	14813	12917	12098	11160	15088	9093	7423	22022	18684	13556	13914	12159	15688	13929	13272	16643	15853	10414	11127	23285	24366	28617	28955	14643	13356	25980	25173	23443	26206	11908	11356	23181	24607	14174	10525	21863	21859	11000	7975	19256	22425	27905	28592	20151	21983
> limit nullnullnull 12.015996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	172923	192189	177589	175639	229423	186973	207187	176770	202470	177801	181924	242120	202264	209178	15420	137784	91847	131619	84348	19028	92204	85460	109259	85565	89236	94317	129187	95143	118609	87270	82787	100798	48869	90749	32809	63832	91797	92446	107693	98450	133851	130943	93745	95676	117512	108911	82948	95536	82822	104693	91946	88802	17896	110021	126765	97175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1594.8113@0.9820001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6772	7159	1	1	1	1	1	1	25576	26746	1	1	1	1	1	1	1	1	11758	12804	8248	7630	1	1	31211	30364	19144	17749	15626	15806	1	1	14571	13876	9395	10281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H8 Cl2 N2 S2	19658	20810	15188	12079	17203	37210	16268	23927	15625	15172	14715	14194	29736	18644	19270	15363	12768	13835	14639	19074	19827	35330	22245	27972	15702	15354	17405	16429	19237	14014	33862	30937	41769	33728	13609	32674	54608	42500	22656	48609	38789	46869	33618	38456	53713	36491	37589	26590	32988	13862	11000	15003	45934	33485	59157	52375	33048	32150	25993	16217	27017	32165	20734	17413	28065	33401	28635	26449	27667	42115	13484	11421	10357	22140	24369	23361	19127	16458	28756	25858	22906	20871	26144	18184	21716	13260	15266	11757	17194	14935	13118	22395	29771	21496	21411	17316	26469	18224	28835	20992	10046	32051	30260	12791	16696	30066	44944	35099	25144	24961	23653	28418	1	1	19707	27331	14794	18310	25399	18501	13587	22104	26393	12512	19956	12763	28051	24390	15208	19140	17148	23552	29075	15706	18492	18378	23126	15327	21581	17378	26200	24071	22036	20576	19547	23958	23860	16018	22403	18833	23022	24851	23374	23919	11218	28674	16771	29255	20536	21507	19424	18137	25439	25958	25833	1	21188	22060	14011	22096	23130	16699	15845	12234	19519	32443	22744	27370	28312	34977	120428	120381	24168	32335	31112	18314	15915	21286	40009	33121	34321	32170	18308	1	22926	31429	23364	13605	24227	26379	35919	39652	21545	37431	25803	26768	71592	61143	21569	12284
C54 H16 N5 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	119253	141797	142256	125429	130069	139992	53585	144860	59500	115693	44417	199312	46001	129821	29558	29829	74444	60657	68862	63257	25601	78394	22739	69965	27218	65431	67597	74843	22327	60292	59799	62315	66236	18185	32406	58941	66501	67607	27040	38511	74746	62749	77616	74734	70513	75578	91439	88360	67420	72485	34225	23047	70155	67521	130892	11074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Cysteineglutathione disulfide	385686	382856	329864	331076	139806	145579	309195	310577	314392	309791	164007	162991	240420	246987	169473	161185	399427	397709	228822	217460	203675	200521	232777	240484	129959	145651	251719	254095	330622	341877	29574	29172	36459	35160	22053	24927	16333	17530	36548	39354	23787	23350	20441	21097	29351	28214	37094	36787	9337	8492	1	1	37691	37234	1	1	40224	38921	12349	11491	13385	12242	22085	20439	12020	10945	11939	11261	7372	8597	19173	21023	11040	11569	9926	9510	9308	8547	15563	14917	21902	20294	15159	18048	9004	9429	15256	13951	33697	31760	19231	18608	6899	8757	13687	14905	25154	24710	13036	12414	34333	29770	15531	18122	10840	12409	8606	8435	16401	14711	13051	13857	15338	13152	1	1	1	1	1	1	7407	8113	1	1	1	1	8895	9334	1	1	7919	1	1	6759	8419	7660	1	1	1	1	7832	1	1	7853	1	1	1	1	1	1	1	1	8001	8175	1	1	1	1	8090	7249	1	1	8599	7591	47971	44815	48513	47940	59647	60996	30663	32698	98121	99797	68718	71981	71715	76350	49717	50756	76833	74715	47742	47135	126736	128207	110860	118760	58551	60632	135754	133400	128136	128356	59466	61374	111972	111942	59178	56082	106183	111970	43447	41240	109090	98139	165624	167517	98768	95577
C8 H2 Cl2 S	135791	131816	102744	130442	69044	78200	105249	119782	101181	116580	90799	103316	82228	75165	84075	114767	130101	111464	124502	117735	74359	67682	106160	98872	104693	99083	85948	136677	124028	107921	37827	54216	48402	28712	30437	33424	31270	33434	51552	52491	30781	32475	35044	40777	40367	46919	45365	42645	20909	34961	16282	29134	34881	36962	33891	31834	40446	46605	22399	22718	14819	17343	17316	18641	15350	12966	13907	14925	17497	17684	38185	36922	16669	14427	15613	14656	12920	17367	24597	21510	30503	26364	24265	25150	14736	16557	34179	29527	22451	22429	23768	22852	10058	13191	25482	25641	22934	23381	14917	15600	23503	18234	21784	22582	18296	16920	11788	13326	20733	19674	17588	14203	23975	17626	40116	29395	27893	29701	32409	28958	44657	29299	35842	28818	40098	41982	39608	32054	46195	38728	27761	31863	44764	40729	40283	33528	45450	37438	33733	38915	26504	33292	43266	47606	25561	28954	49799	42370	36302	41063	34175	37050	33261	34586	38565	45713	46935	52504	37031	32240	37073	53620	30711	46194	24933	28767	30433	30366	24158	37933	34342	39980	40918	41857	27949	28170	42119	28483	40206	39537	34831	25292	25188	25739	21692	29290	48157	51735	20155	38367	34920	38999	47473	38467	34061	33492	32180	33044	37089	45210	21533	34010	25407	29555	35791	25261	36596	30934	44621	36261
335.8007@0.8658932	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20194	13657	14311	14695	27359	26807	12585	13439	11721	14437	15294	6828	31752	31357	11240	10539	13684	6933	13433	21189	22678	14661	29481	27060	25095	26371	12827	18289	24766	29567	27121	25558	26105	24575	16966	13082	28576	21233	21567	22337	12313	14629	24294	21214	16759	14698	19202	18507	7707	10586	13974	17304	22592	18197	20893	17912	30679	30677	39289	34406	24101	20627	33203	33373	36073	36443	31459	30515	33408	36101	32318	33534	34857	33517	31407	29972	37231	30976	31791	32110	31548	32064	29152	31576	31431	30114	36592	35992	32234	33563	42703	40444	37720	32310	38942	35607	19558	16636	41995	38163	19887	18593	30078	31213	40129	36109	18188	18031	22065	22418	16403	15260	29343	29176	14848	15333	19316	20147	25986	29136	20734	21607	18987	23133	23503	21843	17138	16917	12491	15564	22297	21638	21096	16979	16362	16604	21403	20719	14168	14481	22000	21342	16870	16877	31599	30234	17760	18831	14937	13813	13925	16028
670.8498@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37906	36042	28626	33481	42738	37718	33732	33352	31793	31424	32450	30774	46221	52754	39387	36904	31751	38363	31121	26280	22776	23402	38559	32827	34193	39143	29962	25472	52640	45023	51069	55192	50767	51158	29414	38466	56586	63239	56611	54337	41354	41659	44698	50735	42787	44876	43100	42568	36117	34494	41722	40295	37155	38159	57050	44212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 N O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18061	17169	20264	21175	52020	44265	10660	10631	16663	17191	16153	17397	82173	85609	12560	10775	14499	12433	9400	12426	16126	17724	63303	72239	41053	45414	13756	12693	77768	78603	64151	68701	74690	80676	26412	20413	86371	74783	55069	66669	19229	17153	56700	52059	21011	23706	30045	30216	11069	10923	23755	23888	23252	21875	22922	27630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
276.1733@10.0339985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12268	13856	30460	17818	14976	16479	10297	1	1	1	1	1	1	1	1	1	15568	1	14734	13224	1	8982	10558	16155	1	7969	13680	10448	1	1	17817	17900	8615	1	1	11241	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
337.0846@0.9429348	8380	10515	15074	16043	1	1	18787	16818	15062	15408	1	1	11643	10427	9536	10472	12040	12399	10173	8672	1	1	15960	15162	10823	12990	8758	1	14711	17061	8250	9190	21931	15498	1	11629	7558	8167	32000	26351	8588	9111	9052	6453	1	1	13310	13606	1	1	1	1	17091	24335	1	1	24127	16783	1	1	1	1	10183	9630	1	1	1	1	1	1	12820	14569	1	1	1	1	1	1	1	1	8288	1	9042	9585	1	1	17328	21638	9594	11436	10375	11735	1	1	11097	13900	12660	12624	1	1	9542	9758	1	1	1	1	1	1	1	1	1	1	8612	7625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10416	11897	1	1	1	1	1	1	1	1	1	1	8305	9936	19009	19150	1	1	1	1	18279	20485	1	1	24612	24486	1	1	1	1	1	1	10388	9481	1	1	22841	22247
947.7688@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26251	26138	26191	27946	15406	13529	31572	33299	26931	28770	28921	27685	13137	11206	28017	29820	37159	37964	35609	16653	12824	11710	10160	10435	15575	16035	21676	27853	21977	14068	15684	15078	14974	16580	12811	16839	20085	17677	16080	17889	41582	43912	20942	26378	38082	37058	34409	42114	37829	41776	30361	31016	42447	38825	36696	36412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
624.6244@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28964	31886	31533	31049	30640	34013	27058	27172	33056	29743	24694	19887	28807	26271	20484	22458	27290	26413	29327	28768	26666	29007	27724	25914	30730	31325	24570	23699	25238	22563	30807	25096	25695	29355	23434	24646	29403	31619	33710	32651	29559	30894	34123	34576	31386	31313	35355	35558	19788	23753	28372	28987	29887	32184	38300	34082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
476.8111@0.87461036	20534	16983	17927	20184	18989	18289	16673	19952	16243	20613	17289	18448	20752	19563	18409	18115	19943	18504	20279	19047	17837	17092	15957	15333	18273	19893	18215	19332	19121	19061	12408	14125	14611	15179	11258	12094	11063	15743	12810	12242	13662	14677	10060	9109	13965	12551	13060	14797	7925	7683	1	1	14221	13344	1	1	15267	18423	26667	25584	25748	23644	16590	20021	23662	25595	27989	29331	28282	27394	27029	16786	18870	19625	26798	26652	25976	29673	23131	26488	27682	18656	25416	21765	22658	21393	15062	16458	19862	17827	24755	18889	12310	13859	18672	23122	22183	19311	28018	25738	20816	19238	22937	25944	21621	26770	27173	28431	24294	25261	22577	24411	28716	27499	21515	20811	20815	22518	17860	17007	23992	26607	17419	17300	22469	25185	21531	21601	24905	27436	22078	22010	24814	25191	27730	21615	22739	23908	25442	23011	24662	23560	23071	23413	21938	16875	23417	21896	16513	17520	21273	22323	21228	18567	15248	19486	18319	17469	17553	21352	21661	24492	17926	21878	8583	7046	7523	8145	7856	8609	7375	1	13289	12386	8243	7919	10106	10059	7907	7383	6332	9750	1	1	10868	8173	14398	11120	8583	8219	9903	11375	14440	15253	8979	7411	11121	15225	9707	1	11437	10375	10801	11188	10471	11574	10473	8944	12464	10569
140.0106@1.5569994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20065	34624	22563	25130	149822	149480	23956	1	33714	33012	1	1	58897	135122	1	1	1	1	1	1	1	22537	73210	93840	82093	86164	1	1	283306	233307	164334	170878	124891	119343	1	1	124588	134271	86296	90641	23282	1	128240	133579	22511	19705	30232	20418	1	1	34277	30026	30806	27502	42153	35169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H17 Cl3 N3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15618	19389	20757	22793	19239	18098	21266	22472	24198	24091	13853	17289	19892	20591	10105	8508	28178	28646	31192	29428	12734	13293	1	1	16047	13094	15772	13991	5717	9481	12126	1	18221	18440	1	1	17557	15814	22071	17919	20702	19544	12005	14299	16153	15054	19033	17971	25708	20565	6017	5625	19573	12835	34674	27563	78584	78570	77455	65071	82706	81302	73141	62095	55060	70159	78551	69270	63277	63805	60909	59727	85823	88049	63847	87411	85810	81418	95663	91642	75263	88921	77434	77908	90430	57486	73402	88658	60535	62076	69265	88617	83794	89030	67000	85421	54840	56917	58224	69090	103425	97794	66269	61279	58141	58431	39512	38168	42791	51346	46196	44648	44771	47133	123946	136412	99122	111956	71558	73776	53416	57529	83302	77806	34922	35196	146424	125486	102172	72457	79890	71861	100490	107156	138537	135511	60241	49715	119708	129495	57399	54216	141638	140883	35943	38745	160706	158790	149015	140962	143426	142260
1038.9377@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7121	8902	23156	21277	1	6260	7008	1	1	7574	31282	32911	1	1	1	1	9562	1	1	7107	24105	22477	13763	19533	1	1	35845	37816	28790	30194	25424	29227	1	1	28853	33660	25956	24150	6942	1	20171	17755	1	8578	1	1	8336	1	1	7034	7591	1	10856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H2 N O S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28075	29399	24101	27763	21066	22983	33685	30342	35243	35397	26412	27023	8492	6466	17216	16582	26196	25797	31018	40283	31315	30449	19742	17000	26831	14478	24876	26048	1	1	10627	8468	11006	12195	17061	13310	12796	14527	15204	18327	26149	23826	16621	19798	22739	22310	23804	24225	26078	26083	23834	21176	24158	25509	22814	24399	44681	46338	46170	46787	39727	43036	49250	51548	45748	42913	44470	47754	52765	50447	47513	52179	50774	52986	49670	51896	52215	45822	54399	55046	50290	56963	53104	45883	53233	48493	53395	55696	49539	52625	44220	45667	53204	55266	48339	51127	38147	35892	47031	45701	39185	38283	49055	49574	50589	50408	20800	21090	27014	24111	21921	22534	29589	30285	26740	30083	23591	27802	37331	34741	25759	27972	24307	24130	21527	24910	23057	16230	27890	27632	24643	27276	21254	24383	29764	31803	25087	26536	25255	25304	24305	27118	24105	23170	31284	33217	26774	23741	20879	26415	23274	25976
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C3 Cl2 N O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23044	18593	19425	14699	34182	26240	15019	11703	20735	20631	10500	7723	48936	45766	7641	10780	12212	12889	14202	19306	34598	31331	46240	38558	40806	36697	14235	10535	34754	40164	28965	25344	29909	25764	16962	15719	23730	29909	28795	26056	9994	14000	25567	21485	13088	15615	22993	21150	1	1	19890	15257	13286	8658	21823	19946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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774.0676@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14085	11831	1	1	1	1	1	1	16709	17344	1	1	1	1	1	1	1	1	7239	10276	1	1	1	1	29675	30964	20504	20617	12794	12281	1	1	19559	17071	9459	9586	1	1	9721	7373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
655.7053@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35653	34457	29185	41206	46652	43552	32756	38447	40466	39304	25470	27839	40317	45353	25775	25371	34656	40561	41773	41786	40169	37177	42588	38905	53459	55236	26788	28878	42276	40554	44020	33798	38570	40649	24639	24894	41923	42023	46158	41441	34370	39068	39406	43977	37588	43134	43710	36953	32850	31203	35755	40837	40283	38648	46326	44872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
478.8514@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16854	13199	15836	13116	17251	20348	14991	13230	9873	10964	9271	9676	13927	23311	11577	12639	19140	11925	13557	1	7640	8725	16740	15447	18615	15368	6756	11309	21986	21864	18813	17960	20340	25078	8052	11826	20765	23079	16863	14375	14408	12158	17932	19295	18367	13149	15315	16877	8649	9873	15732	17001	12057	10014	13731	18488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H24 N2 O19 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42831	37535	41745	56678	64274	56245	31008	48096	43672	32236	44148	27662	55218	35202	24688	15408	24970	23848	16535	22649	19221	18957	31946	30148	26114	26026	18015	15504	22305	15550	19743	20883	24521	20709	22604	15473	26235	22159	24545	23877	27238	23378	26917	22761	25811	18836	31008	25390	24128	26277	21991	22897	20605	14470	51194	23845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
518.2203@0.984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9805	9200	1	1	1	1	1	1	13513	12898	1	1	1	1	1	1	1	1	7701	7156	7284	8219	1	1	24210	24163	16286	17008	10384	7845	1	1	11605	12752	10057	10872	1	1	7938	7892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.92900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20386	22019	33796	35558	16016	15368	32244	34641	27793	29237	48258	41363	8923	1	89666	84563	55002	52284	41580	39082	56156	58085	59803	63081	37488	33661	71860	70353	13361	13213	22915	23523	21054	20631	55524	112817	33857	32923	30664	33706	66599	63820	43820	43083	62785	60970	46715	53138	58315	63190	74669	71188	54623	48320	37245	37962	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H12 N2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	300423	311566	334495	343312	703114	673541	159433	158496	273155	275543	463740	474406	1108775	1108449	203639	195510	225842	224513	161614	201693	321477	333758	1132081	1092444	870729	879599	553269	529272	1072844	1027496	840247	862908	1112634	1102874	410367	416888	993837	19886	928491	971999	195613	194455	699948	716078	308546	313222	379634	380384	331889	324816	398581	413548	320240	320871	428228	422352	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.7651@0.87400025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64593	68259	50647	50817	45371	43727	65772	64980	70829	70549	53200	56357	31927	31580	40479	37954	69791	73698	73717	64239	48913	41236	24858	24848	35316	43340	50676	44195	20517	23151	27839	29113	29988	24949	19386	21007	29150	30642	33810	36342	61441	60532	34927	36944	51287	54011	57750	56852	72920	71650	41628	43986	63611	57611	63429	62815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
394.7918@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13947	14919	17495	19703	15610	22220	17350	12835	18870	17476	13442	11271	20902	10606	9605	9770	11167	14053	14676	11945	13553	18314	18059	21394	21016	17896	13039	16801	14100	14327	16035	13048	11658	15896	8870	9114	15655	22162	17322	17012	8943	12066	17715	14355	13924	13251	14279	11332	11783	13155	14949	16343	13423	13665	15360	16824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 N O6 S	21585	27173	29616	29713	7596	1	25977	25811	71241	72188	16616	19650	39476	34924	27986	22363	76681	79527	30413	29093	28930	30397	51530	61073	27678	27537	64344	70325	89441	94740	1	1	11161	13045	64769	63332	20704	17484	278647	278679	17321	15859	1	1	16242	16105	108678	107756	1	1	12524	14209	89256	84535	1	1	35899	38788	18787	19824	14440	15380	1	1	1	1	1	1	1	1	22438	22150	9148	10675	1	1	1	1	7668	7492	1	1	1	1	1	1	1	1	1	1	18851	19358	7459	9188	1	1	23328	26922	1	1	1	1	26184	26288	1	1	1	1	25613	22947	22334	21758	25457	17360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
209.0365@1.184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9300	9439	1	1	1	1	1	1	13877	12736	1	1	1	1	7530	1	8571	9236	17695	18523	6902	6067	1	1	34275	33646	8391	9571	20967	21715	1	1	23685	25531	14084	11505	6005	6618	1	1	8177	10540	8285	7232	1	1	1	1	1	1	1	5711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.977@1.5183997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33791	1	21081	1	43353	1	1	1	1	1	1	1	1	31812	32793	1	1	36369	1	92687	1	1	84381	23883	1	1	58442	26707	34408	1	59201	37451	19666	458355	53717	1	1	89821	1	31248	27294	1	23071	39027	34188	26950	1054047	1	1	130169	1	1	54894	15244	37929	87460	95862	35075	24515	130779	42521	42156	1	25678	1	72796	60931	1	1	1	68101	29300	91547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31287	1	1	1	1	10669	1	1	15521	1	17004	1	1	1	1	32579	70804	1	1	1	1	1	1	1	1	1	9031	72864	1	1	1	1	1	1	1	1	1	1	12494	12756	1	17809	1	33583	21194
188.093@14.049995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16785	12911	16627	17320	13332	38597	12832	16755	20418	16261	19407	16984	14106	13086	24127	14021	17821	31426	44932	15788	11116	13027	23714	18097	1	1	17065	1	1	11711	1	1	1	1	21581	21320	1	14754	8033	1	1	11318	17544	10116	1	1	28277	1	1	11003	19606	1	12198	1	11515	19989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21872	21629	39829	38376	29943	31180	17292	14702	1	1	27500	20072	87570	80607	13484	1	15698	1	1	1	53118	55203	260998	249841	169473	168965	30263	25598	93212	84977	99439	100991	93065	87145	20035	24526	145167	141592	188112	189960	35747	28265	116197	137018	53148	51242	66211	63290	17507	15930	47045	44288	45366	49633	37575	56361	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.9671@0.8659111	14270	9432	13340	10299	11546	11968	12437	8927	16682	15747	9365	10831	13542	13172	10296	11110	13971	11486	10899	11216	7541	7112	14752	10926	12773	12506	10298	9392	10259	9755	12047	14712	15145	11105	12735	11477	9842	8971	9613	11216	12719	14837	9033	7444	11456	10349	14980	14215	1	1	1	1	14638	11265	1	1	21443	20024	29239	28817	24321	25245	33359	32595	24409	26386	22416	25346	12337	15454	30969	30677	15239	11321	16133	17119	25360	38568	35674	32860	29891	24095	26749	25803	13018	12960	20261	20019	22769	19203	23489	25306	13223	10857	22808	21880	20794	22983	17526	16750	21553	23585	19406	16855	21619	19743	13543	11597	17362	17391	18087	15313	24881	21333	1	8799	1	10419	8664	8177	1	8401	1	1	6800	8434	8157	9263	8820	11253	7116	7656	8905	10228	9761	8147	8320	9025	7614	6548	9901	10302	7313	10978	8534	11123	1	6781	8245	8376	8581	7414	6600	8943	8271	9370	1	1	10803	10738	7674	8345	7648	1	1	1	1	1	1	1	1	1	7780	1	1	1	1	1	1	1	1	1	1	1	7775	1	9101	7162	1	1	8067	1	8438	8362	1	1	7756	8832	1	1	8492	7781	1	1	8304	1	9048	9709	7298	8057
> limit nullnullnull 13.378904	15236	17415	14888	1	1	17570	1	17250	19029	18794	10299	18819	1	1	1	1	1	1	1	1	1	1	1	1	15420	28189	36420	21758	29577	34979	38403	38975	26637	19703	48279	22123	14016	14778	17487	19753	29160	30728	27319	33042	33338	18661	11207	25400	24364	29140	33594	91314	89603	36417	98641	55392	82834	36051	14828	15570	14868	9552	17484	14159	12636	18204	15416	14976	12718	12288	14124	11456	23638	21424	30490	30726	25378	28263	30564	21429	1	1	1	23260	20628	34777	17058	12444	31056	25473	20323	21671	33861	28790	31959	38808	25561	36265	34089	43203	22230	29465	35355	39395	18655	30419	34389	33696	23047	44021	29758	37459	22144	45271	37083	36206	47393	27729	39339	39550	34628	34149	27559	38440	51949	38904	40856	45326	48133	40814	40949	44406	45206	45926	37627	46852	53204	28935	40385	41671	37138	38739	40272	45301	41448	52342	54506	35831	46789	39289	56924	48467	38861	47136	40829	43618	51065	50936	42020	38832	37714	35551	45619	46381	67483	41194	18611	36678	42405	37813	44408	40626	62123	40231	26177	32345	38132	52484	30859	43410	38942	38008	42216	52635	104756	30196	82272	60713	50957	43781	45814	80830	24911	88719	75495	44199	41522	59922	43914	54803	24911	35569	39025	36292	34612	48607	36517	42825	46606	36788
969.013@0.6658534	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120243	1	1	1	1	1	1	1	1	167900	77945	118053	1	100871	74177	64064	1	1	1	1	1	20555	81303	1	1	69453	626359	1	1	1	40732	1	1	40352	311062	1	40628	38594	1	58093	45811	1	54534	1	99263	1	1	34418	1	1	1	1	73555	61030	65697	38698	59087	26285	37498	57683	57064	41988	1	54485	57238	56081	58361	51203	57817	56285	61104	64787	34775	64816	54925	62411	45143	59001	54763	52832	63800	58027	53258	57220	53486	52351	48470	48699	54289	29338	58023	54740	55272	63066	45256	49314	40103	32416	54788	12084	51521	49605	65022	42864	60024	64718	73884	50778	70207	65891	62247	63511	57659	65011	64565	48067	71004	64107	61647	55704	48918	54527	50493	54656	33922	53654	34930	52585	54229	28037	42940	27758	37547	51708	58892	61405	32942	57713	62682	44595	57793	64335	19960	37217	59673	24109	30805	57916
1157.7537@0.83991075	29021	31457	23980	26647	44939	45853	18993	24270	25609	30125	39384	49614	40311	40120	32313	31653	29093	24324	36553	33550	41830	44141	19511	17883	41762	40808	36638	35594	25479	23959	42853	51130	50822	48010	50692	47040	49429	46326	51189	54211	52170	55026	43888	46678	40375	46373	56810	46148	40272	45103	46261	44276	61117	61346	40879	49116	59066	59494	20211	20939	21258	15728	14624	15105	20788	23156	21912	19876	23256	25524	14446	11421	32974	27949	31434	31342	25487	9254	1	1	8214	1	12302	11145	21080	23517	13891	12663	13712	11342	10369	15974	15187	17966	14760	19399	16501	19608	38334	36199	24190	20357	33031	35130	33125	31759	32077	29362	28465	32670	31310	30852	37373	30873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
575.7141@0.8605727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31444	26660	29217	31761	32761	35317	29111	22994	30484	30412	23868	22235	31150	32520	20739	19794	26626	30418	28912	31424	33574	32535	30371	32808	33103	33452	21120	23857	30934	28028	27015	30193	19607	21269	18358	19441	28265	26019	32242	29720	30073	29767	34495	29533	31325	29320	30742	33550	22236	27382	30558	32716	31750	25844	36112	34241	8525	9935	10154	8911	9599	7794	9315	8650	7951	8777	10210	9451	8152	10806	10833	1	10804	11341	12178	9168	12111	9555	9112	8910	10979	9192	12603	11052	9416	9589	11451	8326	6804	8924	8706	8685	7883	10038	9928	10379	8799	7803	10307	7276	13677	10737	12159	7866	7101	8042	1	1	1	1	1	1	1	1	8462	6742	1	6838	1	6996	6328	1	6995	1	1	1	7506	7569	8239	9064	7678	1	9748	9117	9250	9986	1	1	8384	8386	1	1	7617	7840	1	7125	8503	9773	6655	9265	8979	8798
C21 H19 N16 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	207887	34041	279203	136556	139580	114712	101590	118304	107474	103212	110157	201023	110981	25233	104616	58133	53484	62079	97570	56037	62191	50259	15461	93758	61365	25219	66826	57332	56888	59221	53890	1	51830	58714	56014	55853	69003	53826	27224	60373	33864	63061	68888	97863	45692	67284	33488	123474	56093	69880	62399	65046	59366	58610	69477	96304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9334@1.1019999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12812	1	1	12357	18692	1	13543	1	1	1	1	1	13310	73233	1	61635	25979	22067	22680	18525	1	1	25334	16137	1	23984	39255	27919	1	33801	32217	28023	1	1	22692	20523	25426	16176	21373	24887	36965	30411	1	23479	23267	22170	28067	1	1	1	23921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- nullnullnull 7.135093	37223	45952	18968	30857	43155	21672	9462	17550	25661	22862	21548	20675	41406	30850	38613	24736	44748	26523	36604	28989	23703	16387	18705	28662	33213	30211	12246	29984	11197	36680	41930	26999	33662	32801	26841	25370	25852	13875	28891	32109	40830	34281	29469	50475	20045	41316	30650	29965	42193	45634	47032	33359	33326	30176	25310	54425	30639	28481	15962	23304	29830	28948	16870	12820	30842	25120	1	1	22581	22469	32932	17861	62873	33593	38149	28370	36257	30399	52728	49791	41023	50233	54475	59468	34538	43279	27905	25025	40926	21099	18934	31337	18967	28034	36085	31948	52795	63456	59967	58439	53038	44637	38346	29055	47606	41100	25922	24968	49057	45708	40426	40926	637445	22285	47668	45737	52166	50327	60147	51885	46773	43861	29584	20789	42155	35381	34947	33002	50415	47212	32855	32388	45771	47466	49084	55999	43065	51071	31147	28034	28811	36944	24225	21309	36033	42144	35220	38259	23343	23790	53727	50812	33753	36758	85609	82016	28326	29404	64052	55510	31518	34825	40548	38430	1	1	1	1	18027	28310	27309	21311	27079	28680	10281	14713	33608	29188	1	1	1	1	1	1	26220	16786	30990	39181	14632	24263	16241	12977	15502	15332	10910	10841	24204	22681	1	1	24582	20771	14855	1	1	9385	1	1	19604	18334
C13 H14 N11 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27228	26415	28655	26270	23637	25721	30874	29774	30576	31223	28771	31493	21803	24639	24208	23642	26097	25529	25499	27281	24309	23766	21583	21704	22299	21480	24295	24479	15557	14455	15097	17175	17793	19038	20576	24947	20689	18607	21179	20680	24289	25448	21664	21533	23216	24316	24212	23335	26564	26551	23501	23602	26074	23946	26198	26103	6441	7203	6452	1	8311	8488	10720	8988	1	1	9638	9996	8857	7399	9620	9605	6074	7764	10545	9451	7576	7016	7258	6765	7289	7645	10364	10608	8453	8343	6086	1	1	1	1	1	6952	9113	1	1	8029	8080	1	1	10943	9974	10610	11650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7937	9703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
384.8551@0.8709995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30226	41478	27720	27339	42549	29594	36683	35567	28433	36728	28031	31049	40021	48487	15365	17834	25956	23338	28942	33914	32033	35701	33663	36618	35012	33511	30026	28284	40901	30260	23016	26226	31875	33377	19200	15632	32236	26513	25035	46250	28834	25326	25290	26195	23310	22457	24818	29512	27121	27392	23129	24291	28101	27628	31541	31271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.8339@0.83845705	39798	32561	35627	39626	23733	32787	37523	30622	34211	32127	32403	30794	33935	32296	32785	30807	29947	33500	29283	29944	26226	29281	39860	39150	35427	34921	34517	34304	42613	39126	13190	16462	10858	18366	12662	12872	12350	11378	10677	14743	11408	14894	10786	11825	11773	11568	13331	12178	11730	10986	12461	11145	16767	17855	11114	12139	13848	16328	36418	35533	40385	38218	54603	48991	31400	29583	34176	33957	25709	20835	34657	39597	59778	63509	41014	39080	32855	7810	15911	15948	30893	34490	34179	42011	27797	27420	29315	34821	50250	46062	48583	44115	53976	68466	63766	53340	66792	66769	54038	56397	70773	67464	66194	72491	63790	67487	35541	28267	63314	62298	57261	55123	100984	72681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H22 N10 O4 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113837	84517	150492	117269	109578	150920	1	123176	1	145837	1	116123	165101	147608	80702	62627	79835	83918	81214	61358	94006	69069	88255	101457	52666	23288	56191	84689	75502	81529	75836	1	72802	80007	79355	65549	93564	81564	69011	86665	71030	86680	73815	71316	1	84731	74849	63780	62476	76691	86893	78802	62804	86088	122422	65525	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H6 Cl3 O4 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11986	10312	9012	8687	19327	17006	7546	9519	8253	7303	7399	6871	16612	19870	1	1	6144	5748	8941	11872	14431	14691	20047	17187	17713	14843	7911	6427	21433	19716	16261	20156	19125	18941	8868	7803	17749	17844	13496	16856	1	6477	15034	11625	8746	9459	9504	8449	5360	1	9802	8554	6930	8749	8954	10821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chinomethionat	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27236	27295	24984	27460	27947	23659	22454	24020	25442	22974	28011	26810	23049	25601	38086	37027	32565	30561	28600	26445	30002	29798	29152	30114	30110	28882	29168	29200	29433	25112	26166	26038	28288	29196	33451	31856	24538	27898	25744	25425	23668	26571	24895	23091	24208	24431	23440	23494	26227	23625	23718	22955	24296	21221	1	27544	25289	24470	26730	22450	23537	26452	25596	24451	24735	24573	24036	23903	25978	26831	23084	23823	24341	20340	24554	20438	25228	25020	24568	23401	23026	23248	23645	21819	24076	21510	25345	21001	22890	25729	21325	25283	21835	20878	22636	22097	23973	24890	22473	22198	21393	21624	23189	21578	20837	21467	25209	24558	21706	21947	24627	22493	22981	25459	22889	24713	25987	25063	24366	23597	27504	29341	24981	25976	24737	23350	27644	26351	23767	23050	24576	26645	26193	25370	24299	25220	25183	24924	22315	22939	23385	24297	24641	23618	23191	21245	21085	25032	24518	23166	24145	23329
353.1641@10.0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14784	14391	1	1	1	1	1	1	1	1	29649	32780	37094	32912	1	1	17009	19197	18469	17386	16971	18588	1	1	31644	25990	31111	31182	1	1	24483	23841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
475.7741@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33079	34687	30719	33520	46413	44381	32597	31306	33512	40869	30947	33990	47653	43770	15637	20448	29636	27020	28995	35467	35867	44924	48846	48677	46636	49619	29877	29173	37444	40272	42424	40114	40937	40295	29632	26881	37554	47084	36081	41714	29910	24783	42257	38605	24607	21806	40459	27888	36053	30799	29232	26667	27479	25676	32233	35672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Patuletin 3-(6''-p-coumaroylglucoside)	1	1	7547	7635	1	1	7179	8389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9635	10045	1	1	1	1	1	1	80125	76693	153395	157392	171575	165114	86252	89158	271196	275590	74530	75289	107793	108894	72885	71679	161358	162553	40809	41503	30214	29281	271791	266904	46504	45709	234946	233778	32870	33812	22580	20763	32197	29258	14360	15377	19961	18636	10030	10701	15672	14739	17677	17734	23739	22017	14604	16231	17612	17452	1	1	18469	18556	10530	9640	31174	30419	30457	28082	9163	9694	7587	1	18766	17871	22004	22695	31842	31210	34964	33266	11568	11977	15628	16867	9243	10338	34867	38857	31181	31853	29392	20166	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Oxychlordane	29596	29083	26030	32712	29276	26004	28522	30921	36208	28800	35513	32811	28161	37581	26792	25642	32568	28243	31068	31028	29306	28815	32932	27538	33482	31962	31949	30968	22008	23010	42040	43300	42419	48112	44293	44110	39940	38708	41099	40980	42054	44523	39079	35829	34990	34272	39570	36675	32819	37710	17457	19212	37907	38253	37619	41198	49291	51077	22374	24219	21115	24415	24321	20654	22838	26042	25224	22502	24425	23833	24929	19590	11194	12232	17888	18380	16492	31394	27332	27849	21117	22302	17974	20562	17512	22445	21250	22060	16281	12784	16919	18568	11434	9216	17305	16165	17939	19388	18555	11801	22245	19646	18570	17382	21593	16859	17957	14052	17629	17811	19490	16558	17840	20909	32382	35560	36978	37609	27052	25456	31806	36781	29559	36232	35934	36113	36743	40247	37195	40067	35686	38959	35298	38062	37381	36720	39431	37467	36257	37977	36029	40479	36322	35888	39299	34735	34977	32494	34650	31418	37635	39214	37607	35432	26365	23291	32076	35736	26288	25066	36528	34949	33747	36592	14857	13384	14555	13280	12961	13059	18747	19177	17379	16890	14873	15249	26582	23218	15720	15098	15834	15966	14929	15496	18574	18153	15971	18142	16121	15911	17904	15816	16388	19372	13517	15020	17164	16868	17132	15417	17665	17467	22257	24329	17497	20579	16538	16676	17154	18886
Iohexol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9834	11285	10924	11318	30889	27356	8025	1	1	8195	16644	10222	42241	44626	11190	12632	16538	15761	1	1	1	1	22700	24481	21545	11894	8934	12460	51160	49419	45833	41397	45683	55453	17008	25269	57269	54331	48147	48658	10437	11302	38609	44662	15458	18012	15016	21321	20742	20531	20476	17585	20324	11968	26928	16013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H3 N4 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22666	17937	17878	18197	18980	33440	12321	12984	14949	20108	19628	16117	18437	18780	19705	22594	23650	23417	13653	9666	10872	18593	30648	27020	1	25800	13853	12753	48464	60321	13537	42230	56088	60165	28727	21017	65723	63860	23461	28370	26608	19847	39640	22906	32380	34131	19606	44509	19060	25811	34403	19474	32073	33334	53313	21812	1	1	14968	1	17599	1	1	12098	1	1	12519	1	1	1	1	1	1	17163	1	1	1	1	16711	10836	1	1	1	14828	1	1	1	14943	16645	1	1	1	19172	1	1	1	1	1	1	1	1	1	1	1	1	1	28355	27366	29124	30472	22093	27084	23158	23915	42773	43946	34707	36585	30591	28452	28386	21693	30551	29930	16456	15961	34252	35668	50742	42345	19617	25773	29794	27280	37067	25756	22913	21536	38859	37123	24640	22992	36379	33531	21505	22556	34019	30773	30651	33264	29555	28647
128.0089@1.594232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47241	41106	54727	34317	33821	46941	41631	50125	40395	41910	32501	44458	39802	33481	63192	38078	40896	44643	32351	52028	38783	45820	34795	32386	26697	37976	37346	42555	27361	24726	33736	27618	34678	37691	1	51596	45775	45230	32943	32671	49835	54704	52989	60108	44235	51534	36867	47652	35923	37078	25491	48420	32370	37994	41724	52617	61522	47093	58110	54781	67441	63322	64980	43743	60110	58370	45937	50155	38825	58628	53610	46065	52437	68032	52680	40472	68330	51190	59735	35076	54697	57607	68841	42701	63254	49442	66251	63532	68712	62318	48132	66769	35041	53888	54107	44219	43973	60340	48187	63324	46263	53935	35833	68611	69640	45734	51811	56709	30670	40681	48114	40973	42693	61961	1	49684	46782	35484	45810	58087	47773	29820	26512	52641	35820	41057	57200	63435	50741	53302	39923	52678	48113	52352	33671	39490	35939	35635	29702	55984	33413	50586	53738	37054	59239	55873	45904	51384	37024	64285	51786	35102
C13 H12 Cl N O S3	13061	13384	12000	10411	8472	8570	9000	11018	13264	12720	8789	8203	11476	11475	6555	7904	14635	17096	11091	9951	8949	10000	11813	10071	12487	10727	10170	10105	9861	12089	1	1	8068	1	6184	6896	1	1	1	1	7787	7871	1	1	1	1	1	1	1	1	1	1	6489	6190	1	1	13607	11283	27064	24899	11302	23918	12147	26855	23337	23159	20724	19245	9731	10788	12615	21414	8580	14415	13122	12286	21282	34965	31122	29881	24871	21314	20859	20016	1	1	12067	6808	6925	6728	16360	13859	17588	9715	7881	6441	10201	15136	15002	16675	8665	7723	8960	7775	14905	7113	1	1	16150	1	19407	18641	21423	22341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
560.9279@14.046998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21726	1	39012	1	26900	1	54998	1	1	1	1	1	49046	1	1	80456	1	65391	78897	342960	386404	106824	1	1	1	1	120104	59417	40977	180613	43949	65409	372960	45069	79047	94633	310751	39453	72037	102758	314895	216040	1	1	67795	1	1	167263	36454	50854	127253	60023	54393	1	128543	87481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
447.7871@0.86153674	18798	23963	25516	21069	18544	14358	28682	21360	22482	25668	18372	18778	23594	21765	17177	17224	26040	26529	20829	23739	14673	16180	20179	23182	20272	22181	21170	21027	23861	20944	9766	6636	11181	10389	6185	10911	11441	8801	7535	7564	8006	8973	7251	9089	1	7244	9808	10864	1	1	1	1	8606	9119	7374	1	14750	12708	27589	19534	27687	20272	25668	29319	22016	23409	33684	21834	21525	21292	30961	28171	12790	10268	20896	19723	22684	28554	33231	25497	27860	26652	25241	24943	19505	24337	21361	21310	25708	19990	18552	26662	15109	11642	22095	19203	22211	20536	17960	19127	22455	18606	19637	21805	20814	19581	18609	14182	18716	19977	26513	23418	26627	25323	8881	1	9136	10220	12204	8072	14734	11131	7258	11663	10486	8358	11278	9834	11410	9038	11020	9069	12304	11035	10712	10627	10213	11874	9595	10734	11450	12905	9700	10723	9659	10478	7425	11241	1	9725	11251	7003	10387	7860	7342	6811	11052	7514	11995	10880	9545	10101	8722	6944	1	1	1	1	1	1	1	1	1	8252	1	1	6301	7775	1	1	6479	1	1	1	1	1	1	9003	1	1	1	1	11532	10524	1	1	6993	8284	1	1	7640	6203	1	1	8012	7056	7372	8443	1	1
723.7105@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41906	55355	34571	35186	44595	47532	42518	45986	43091	44860	28730	43552	49000	46467	19401	20124	41357	35043	42860	48691	41343	46595	33413	33063	49771	48132	36838	34532	47373	46236	40284	39520	42939	42650	24758	21496	24022	44654	39015	40945	33972	36563	37366	43090	32668	29771	36605	43925	35660	39930	30911	32597	35543	37440	43297	45436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.8122@0.86351717	25216	27465	28955	26868	21289	24016	30271	27397	30877	27689	23037	24968	27928	27217	20744	23269	28255	28094	25774	25910	17828	19248	26633	28858	24095	22969	23877	25515	28038	28397	6231	7286	1	5604	1	1	1	1	1	8280	5722	1	1	1	1	1	1	8435	1	1	1	1	7244	6190	1	1	6294	8708	14172	15980	23026	20204	21027	22373	21412	21473	20997	18121	13263	17596	15895	18462	1	1	12341	11073	16157	22678	25173	23923	21608	19113	21448	20356	16913	12633	11179	10214	14118	14755	14289	11328	16471	13692	11580	14517	13988	17146	14353	10710	18405	18488	14409	16818	10655	17759	8534	6345	16819	13200	16482	14277	17728	17042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1053.804@0.83889216	19856	22457	22531	19555	27890	29156	15476	17213	18138	20793	25981	31454	21795	23621	19415	22261	21080	14500	21624	24897	26971	24840	18589	16572	25685	28284	24758	23480	17825	17976	47502	47291	46077	49253	46179	49419	50388	45618	47851	48688	44857	47772	56056	54389	48217	49653	46187	48249	53014	56004	53391	51782	48648	51470	56552	62198	55479	50171	15652	18399	11169	16825	14610	14130	20049	22483	20384	27440	22882	18117	14098	12035	38840	44868	45747	44589	23920	10417	1	8851	1	1	1	12983	19475	20282	13367	17994	16671	16489	16202	13847	23127	23775	19699	21176	16167	23588	48114	43650	22501	18985	35624	41080	33626	29827	46310	42579	34946	38791	43019	35331	60758	35159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9819995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8722	8531	10035	9324	23387	22948	10977	5596	7980	7353	5592	5966	32112	30559	1	6139	1	6929	5469	8762	11654	10192	23318	23743	22219	21419	6202	6889	25195	24558	25408	24278	24918	27236	6190	1	23388	24114	21734	23598	8117	11154	17182	16727	11001	9676	10375	10404	1	6581	7075	8545	7462	7672	11861	12034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.0998@1.1819999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16544	20120	1	1	1	1	1	1	1	1	19365	19394	1	1	1	1	29456	31930	20917	20512	24624	23807	1	1	24390	27027	9476	9530	1	1	14551	13927	1	1	1	1	1	1	1	1	1	1	1	6025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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1082.0374@0.8619997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7160	8835	6548	1	16061	17912	6988	1	1	6613	6330	1	23378	25594	1	1	7903	6506	6759	1	1	1	15401	18022	12298	10166	1	1	42547	39701	26159	27828	17925	18687	1	1	21145	28836	10494	17133	1	7027	13350	12459	1	1	1	1	6576	1	6088	6391	7192	7464	1	8630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
144.0082@1.2470006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48258	92805	16652	42205	206127	125408	19735	105710	175997	166090	15910	1	104810	51628	113502	69334	83753	91174	1	1	1	1	27109	75972	65345	46797	1	1	110123	91556	97389	79158	72163	166396	78415	1	109750	105138	108767	116937	86759	1	153558	103636	49255	48249	1	84972	111776	22010	49928	92243	1	83439	1	117581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H3 N O12 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33747	42959	37415	33313	27368	24839	48053	20442	21409	30536	43320	25646	38558	41505	24038	34041	47300	44922	44585	26278	15958	25739	24374	26079	22385	31083	32957	35056	47025	43503	37682	35588	28765	35755	17415	19350	40122	45059	31184	34042	53895	40043	29159	27567	29839	38557	38160	36120	40519	49638	30825	33438	22383	32901	50168	27323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19989	21586	24660	24855	11776	11117	33453	32668	34239	34939	43145	39458	11278	11235	23161	21038	44018	38777	26721	24577	18297	18718	9940	9234	11668	12041	34647	35605	11290	8765	8869	10842	11849	11336	13346	11682	11340	8923	12024	11855	33269	36129	14612	12531	21654	22040	22472	22331	54660	53920	23654	22455	26061	24122	21348	21758	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H12 N2 O12	12996	10185	12027	12685	12446	12816	10664	10692	15099	13601	9653	9599	9341	8259	9892	10104	7934	8032	9931	11936	11035	11632	11842	12697	11273	13759	13789	12673	11832	12628	1	1	1	1	6622	6937	1	1	6524	6325	1	1	1	1	1	1	1	1	1	1	1	1	9669	9289	1	1	1	6800	9275	10268	12791	13697	32269	31300	6604	6750	8993	8016	11302	11663	12894	10667	10750	8404	17738	17497	1	1	7216	7159	20127	16941	21851	21589	9966	9507	18768	20716	20145	17911	15545	12544	6332	14799	18980	19580	17965	20948	7655	7152	28435	30237	10564	11964	11477	13296	17405	15951	10830	9554	9803	10204	1	15363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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699.8633@0.8414572	32112	29138	29589	30464	39458	41652	27048	25826	34001	38318	35337	35978	40200	37291	35585	32285	34897	30444	35279	31831	42538	33201	23456	25916	32603	35986	33494	33345	26729	25851	43877	39002	48350	39734	43972	40373	39894	38339	40709	46038	42784	42557	39186	36166	36377	40387	44431	39137	44592	39964	37778	32664	41773	41205	38455	36343	45413	43802	26619	25748	24780	23872	28192	25635	24123	22556	24654	24709	26528	24264	29783	22347	34056	32472	35461	31411	27077	15027	17295	14196	10098	19891	19508	21344	20325	21409	16718	19351	26359	19035	22398	20412	20876	20171	18210	25036	26983	26717	34335	32997	22692	25800	31615	28501	34132	28366	33545	33573	37194	31534	30989	27046	41929	37048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.7262@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14700	18287	18459	20169	13147	16748	16941	15516	20715	16896	17589	14859	17611	12339	12087	10808	20073	13410	15420	20416	22800	19539	16388	11056	18410	18463	15317	14953	13436	12585	10829	13376	11015	14872	9887	12539	8829	10035	13028	16149	16736	15773	12627	13232	19538	15925	15047	17589	15413	19264	17485	20031	20731	20201	21378	22455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
589.8085@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77974	62690	60817	56455	55706	60126	69823	51778	53482	70142	42581	41176	54446	54941	31292	37540	57287	41757	46082	52223	52232	54745	35081	37698	48939	59864	43633	37092	43022	46039	46897	45903	43141	41727	35751	25113	56631	45976	52979	55419	76455	77149	60622	59564	68386	56925	61173	66467	44618	48646	59703	61799	73896	70280	76249	67849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.89291245	352582	625210	772676	658239	858913	1667325	901225	598594	1633911	567437	779784	436944	829524	711483	570184	1138390	671967	611268	573939	118508	670505	128689	672807	652556	727163	582307	678660	632697	1007467	1328034	737959	621700	261961	323738	368930	714499	873994	270161	675223	593399	928418	291835	704959	638838	666722	793413	789839	731776	573636	579960	349804	478701	350572	685506	300987	466352	344688	474088	295712	254501	402750	663612	297639	226189	307087	333196	333055	327500	346343	278468	259398	274740	316940	438857	150625	531882	319755	199361	19824	322648	43029	71729	351893	512231	327602	374737	188717	80171	1627053	376186	73467	389383	363998	305209	279320	243483	1380616	279086	338449	317390	313373	304321	344631	309653	322371	296075	160455	270051	352994	297397	340438	694769	551902	297377	477676	486754	354897	154525	403632	392416	289977	425191	161679	114171	429240	377301	352872	305135	370187	344018	343929	427562	377982	391196	379916	371739	349616	382824	305222	365628	342380	362642	404330	418426	345143	311964	314639	318757	299170	271008	353352	385617	330810	315523	303766	344413	314761	319646	301534	287248	340868	356706	369709	307042	305650	314918	390679	347162	321589	392902	397050	302843	301398	365983	298612	408463	345348	338298	455995	443582	364505	426209	257690	299816	259742	272130	251749	266096	273378	256995	301165	290905	271257	279992	406704	272564	281572	359660	351691	360808	340912	312311	387309	421097	370022	330505	305934	282098	319719	294983
103.9411@0.795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9888	6928	8655	1	7000	1	1	1	1	9063	8527	8833	12584	11939	9653	11516	10863	15037	13141	13567	10619	10832	13162	16410	33196	25167	20327	18589	17900	19487	14572	15468	19360	16281	12746	16308	17934	13693	17198	16452	21861	22669	16631	17306	7662	10850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1071.764@0.84252834	46628	52717	48286	50205	50807	52089	42015	51096	51848	48681	52341	48478	52376	43928	50823	42925	45909	44144	48034	43188	45425	50968	45328	51766	52424	56397	49409	51886	46445	48684	39685	35233	33352	39563	30812	32130	36519	37375	41226	34062	36129	36933	36355	34240	27452	35609	35114	36256	31052	26944	21110	23476	41602	43849	32022	37661	39331	42491	21733	21713	23700	19135	15046	10538	22687	19264	23126	21961	23690	16673	14166	12028	28992	30353	30936	33513	21838	10242	1	11603	8937	7817	12010	13340	20718	17134	13551	18297	15876	15047	18767	20148	25117	28645	20747	23180	26951	28506	40022	38453	34370	29200	34138	35471	28675	38231	26761	29078	33454	31662	27854	34402	40263	36841	11400	6382	9221	8872	10935	9424	11860	10767	10519	9769	11579	8497	10029	12698	11328	9594	8113	11312	7136	8105	12000	9677	14352	8647	11107	10995	1	10076	7340	12442	11461	11521	11097	6622	11595	7680	13571	10870	6584	12570	12990	10035	11410	10604	9260	11099	10901	11047	9504	9817	8379	9432	9685	9338	8558	10218	8126	11603	13620	14041	11875	10530	12207	14659	11730	11971	10288	10321	7547	7838	14131	13987	17087	17064	11258	12007	12400	16159	15459	14599	10486	12478	12182	14626	9329	11611	14109	12248	9016	10078	12601	13464	15336	15989	13832	13998
<none> nullnullnull 0.84922117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39146	41965	31425	32960	52405	50819	34579	30793	31360	33659	29353	33006	53367	46927	25755	28249	31922	31301	30944	23822	28983	22992	29844	32075	35385	35042	25903	27804	49669	37940	37884	47366	50116	48994	33164	36532	53708	48191	50150	52730	30808	33756	53841	41987	37286	42780	40476	43856	24020	26521	35815	34643	36229	41008	47695	38960	13254	11713	12817	10097	10611	13447	13084	1	12612	9483	11296	11950	11575	12431	15504	11127	11055	14124	12591	11407	13648	11466	12333	14010	15277	14454	15414	15659	13332	13371	13333	9733	11696	12481	10428	9880	9231	16275	11653	7979	12072	1	9378	8814	15645	15154	10749	12507	9724	7276	10652	7488	7358	8879	7742	8132	9333	1	14893	13473	1	8625	1	12243	10276	11767	9043	8476	9498	8230	15596	13880	17426	19157	1	9683	12483	11373	11617	12612	1	8198	11508	15975	9810	10533	13289	13555	7237	1	10612	13042	13052	12948	13459	13355
699.8889@0.8860003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9308	13785	11796	10105	28391	26355	5945	1	7421	6963	1	1	31279	27491	15636	16254	14563	17306	6865	1	10508	11210	27527	27707	24344	26913	1	1	27743	23262	25895	24584	25738	25003	10483	16669	29334	29826	25764	27075	16083	8857	26124	22055	12537	13548	10683	12552	1	17568	9796	11643	8836	8773	26258	13747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H24 N O9 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16401	16115	1	1	1	1	1	1	14857	16321	1	1	1	1	1	1	1	1	11419	12257	13829	15147	1	1	26826	31480	20913	23710	10775	12291	1	1	22382	18775	21326	22174	1	1	29308	30620	1	1	1	1	1	1	7534	6879	7278	7275	1	1	33362	30780	13223	12664	39363	42745	19061	18804	10075	10083	23948	24803	18693	19674	14012	14579	28021	28470	20176	18029	53362	53143	36962	36514	17291	15318	13755	13908	11538	9958	19815	20633	13653	12883	8531	7744	11292	11833	15103	14685	42149	45996	9839	8518	57669	55579	18212	16334	14680	16989	1	1	1	1	1	1	1	1	13159	17986	1	1	1	1	1	1	1	1	1	1	12809	12964	30880	32466	1	1	13403	11958	18322	19463	1	1	14865	15500	1	1	13591	11041	1	1	12252	12558	15669	15138	15162	15127
> limit nullnullnull 0.856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15062	23890	21850	21258	27938	30839	20014	14993	11784	20207	11339	17003	33864	37730	1	9968	24074	12466	17720	17375	21021	19100	28466	24694	23905	28003	14777	17552	35073	31010	27769	27990	30815	37497	16199	18394	31157	33119	25177	29152	16206	14526	31577	25333	23895	9032	20485	20102	8544	1	16749	22907	22682	18115	25373	30096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.053998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	352869	302464	63316	193473	208326	352439	124260	349951	175317	177102	1006668	11175	316924	433890	110896	213821	188316	205641	85434	203349	250447	231798	160571	284070	274674	185714	235926	136672	113929	192015	189835	121107	216082	185369	207375	194532	226780	209014	361054	1	221172	213183	212969	223036	193503	231360	82159	48695	174737	174780	220045	42692	40603	190688	114268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
421.775@0.86199	36816	34760	38682	36957	42376	40206	28352	29339	33632	33339	45442	37216	43684	39032	31823	32885	39741	31680	42291	38229	41728	38090	36397	28591	32677	46246	41254	37503	38287	28905	58384	53573	66256	62355	55901	58941	58102	59213	53488	53736	56745	55561	54579	50792	48758	54688	51284	52001	52183	57471	28510	30121	50161	47714	62365	62643	64315	57765	21887	18631	19109	25119	20428	21694	21007	19904	25973	26960	20190	17652	28900	20965	11725	9149	19440	17314	19300	29348	31237	26099	26931	22815	18559	21349	18280	17795	23258	24779	18486	23238	19702	19738	13631	12700	17661	22069	14849	19359	16020	17449	23723	18480	13663	17321	17363	16381	18268	19684	13390	16726	18781	19171	21522	19997	20446	17500	19687	20017	12085	12690	19705	20902	17245	20100	18879	20187	20294	20014	19391	20419	19423	19712	21428	18811	19552	18904	19527	22384	19229	19444	20762	19341	20465	20507	21975	21283	19246	20732	19189	20615	17592	19778	19366	21567	12564	12169	20103	19793	11620	12451	22113	19271	21424	19382	6087	8397	9326	9347	8918	7649	11950	10754	9283	8554	8653	8227	13997	12980	8906	10438	8615	7137	9636	8740	8106	8276	9543	8405	7764	8207	9149	7719	10063	9605	10058	9718	8221	8237	8918	9353	8602	8986	11571	15675	9745	8721	8488	7649	10859	10399
699.9137@14.033837	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15681	13139	8028	12361	9887	9409	1	1	1	1	7753	1	10580	1	27067	10663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9477	11279	8750	14916	18887	10554	32386	15570	10423	14338	11293	34394	14088	11685	1	7774	17958	30884	20799	11713	1	1	109591	1	1	20420	4276	10175	17065	8621	1	11917	1	10765	14398	1	32354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14156	8069	1	37393	1	1	1	1	1	1	8985	1	1	1	1	1	1	1	1	1	1	1	1
392.8811@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57472	48729	44038	57244	76382	73864	44976	46451	43603	53230	44643	37036	69064	72906	34091	34343	37291	38696	42014	47770	56944	53752	60449	64142	65647	74274	40360	31145	66938	60189	66475	73895	61563	66742	59000	49483	81252	73762	65407	65272	41441	40698	67350	68946	53222	51604	51815	47684	24497	27430	51176	50560	44221	44731	60334	63153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
420.2@5.7239995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15327	12766	1	1	1	1	1	1	1	1	12477	13221	7301	9825	1	1	29405	27154	14623	14282	18121	16282	1	1	14341	13247	15946	17332	1	1	6125	1	1	1	1	1	1	1	1	1	1	1	8003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
475.6988@0.8650152	14543	19797	22334	25202	20087	23401	27503	19324	23220	19469	17756	22991	23757	20774	17433	18205	19024	23162	22849	20465	20144	19006	24731	20231	19276	18815	18974	23711	18448	19791	31530	38094	35874	38406	38166	36206	38580	38988	31720	32573	35030	35245	35651	36733	33500	30220	33658	34813	34605	36891	18581	18551	30662	32250	41262	42877	34118	33018	24109	25051	24765	26456	24822	27072	32287	35005	32423	29890	30061	28665	25500	29686	19538	17693	35462	30613	30663	37121	27523	31267	28417	29689	28771	27421	28464	30829	22217	19078	23332	25745	24125	23206	17088	15927	24743	20498	23442	24790	26554	23647	23173	22189	20004	21248	18199	22077	35583	35927	19816	23008	27924	24497	25916	25341	1	1	1	5825	1	1	1	1	1	1	1	5822	1	1	1	5776	1	1	1	1	1	1	1	1	1	1	1	6050	1	1	7348	5962	6604	1	1	6024	1	1	1	1	1	1	1	7481	1	1	6276	1	1	7399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.8913@0.8370005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	168507	171257	184595	191032	87277	88628	235609	236944	221605	233246	236540	235082	60501	60636	391675	370493	433098	426876	268962	114777	62221	72509	49919	29343	74075	81582	224520	243862	52590	53658	68547	71677	69245	77985	157456	157770	85279	82168	115954	110851	400497	405114	146644	139731	283679	285236	289764	285994	476758	468458	294017	300875	323327	333709	362979	308889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.989@1.4090003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39549	49904	1	1	64337	1	26231	1	17038	1	32226	14826	102149	11359	1	1	32538	1	1	1	1	1	1	47706	100263	74826	1	1	343129	13857	85632	32293	85446	133685	1	60891	1	1	43915	40432	20493	1	30511	43248	1	1	1	1	1	47528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
737.7695@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13325	13038	12581	13281	19673	16169	10528	16033	13068	13171	9998	12784	22163	23464	7138	11314	9931	12302	13356	8521	7779	11807	13190	20067	11915	13786	5201	10153	27186	28010	23440	25641	19862	19682	16849	16960	32629	27877	17894	19882	9814	10761	18158	18767	9867	14168	13224	15399	6321	11685	10984	11687	10282	12865	20685	15792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
702.3339@3.3426971	11411	11443	12159	12495	1	1	1	1	6450	1	1	1	1	1	1	1	17365	8698	1	1	1	8218	8246	8283	10086	9295	10634	13555	11282	17286	1	1	1	1	5953	1	1	1	7418	7548	1	1	1	1	1	1	8812	6873	1	1	1	1	13955	10918	1	1	7104	6489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7765	8353	8792	8474	10073	7129	1	1	15896	19624	13381	11164	10069	8936	1	1	25782	25416	10275	11048	8241	8828	23010	22099	9916	8686	20374	18874	1	1	11226	11165	11594	12006	8762	19688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11897	10330	15668	14047	9761	10003	6872	6598	26370	25200	18498	15807	15141	13185	22157	23710	20276	18964	11485	11582	33498	30802	28053	29155	17184	16746	30905	32428	35129	35146	15018	13162	28224	25436	26366	25014	31998	25538	11315	10506	31504	34686	34155	39368	33018	31400
C14 H10 N8 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10379	10064	12376	13732	24988	19464	10815	12708	10168	11870	10621	11440	17969	19372	6799	6490	9238	10855	11486	9570	14133	15955	22503	21915	18251	19790	12588	11642	37748	35482	27123	29202	21847	24619	6635	8863	29593	26091	25821	24160	12261	12220	23605	26563	15503	16207	18184	16201	9933	9148	15116	13967	15346	14807	28594	20699	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.8248@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71066	65285	61959	63888	96371	95614	64385	66850	59266	67596	62238	58616	141132	113052	32529	36174	58837	58924	62409	87746	78720	72325	91449	93624	85997	94574	61029	51595	101330	105613	96561	93673	92816	97405	36739	33750	96014	94491	91563	96541	40641	56113	80971	80490	59480	62324	59867	65913	63418	58301	59969	53210	47942	59303	65312	70271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1104.0126@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18698	16760	7340	1	6434	1	1	1	22490	23395	1	1	1	1	6412	1	1	1	15059	14383	11865	14518	1	7222	39086	38700	28416	25784	21291	22407	1	1	24916	28028	15568	14471	7054	6411	13970	14204	7583	8446	6051	6761	1	1	1	8431	9106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
166.0847@1.0540005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11669	8858	13138	11167	27357	26175	1	1	6884	7989	1	1	26044	32493	1	1	1	7328	1	1	9475	11144	30447	30149	21732	23813	10204	8997	30761	27061	27167	34586	25832	29156	1	1	27368	25669	27403	24241	11302	7278	27857	25003	11220	12402	12893	17169	1	1	14152	14098	10953	10291	13817	15407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H4 Cl3 N O2 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15436	18392	18262	19431	32434	34891	11402	11419	15422	14518	1	9544	37083	34474	9313	10163	10014	12120	14996	14606	11973	15452	30693	29019	26910	30372	11823	11445	31000	27988	28823	27969	29696	31482	13449	12368	27911	30311	28036	28413	14300	13733	25205	28794	15689	17707	17723	15857	13139	10781	14856	13256	15173	15043	22939	21224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H9 Cl3 N O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23136	22164	22336	21545	22727	25466	19129	22120	24825	23039	14460	17859	23660	24701	19239	17247	20367	20900	18498	17478	18805	20267	23585	20673	22415	21333	14548	16698	23336	26298	25539	27443	26996	28633	20845	18597	27822	27343	29242	28533	25487	26771	26600	24920	27191	26472	23309	24520	15171	16499	27263	24730	23492	23811	32033	25542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0191@1.3258029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	490334	468919	1322549	177938	910322	833285	338821	333505	1443813	1409187	238261	1217654	3336946	3396531	993409	936320	293157	303220	227864	256544	409139	434921	1199921	877566	1092919	2592156	1122582	1073290	1702975	1737930	1379129	1347940	1522786	1460257	1017118	1267569	828595	787991	1355054	1415868	317697	428847	756644	762357	144409	313223	1774874	1704976	1259028	84537	1441562	1520765	1353338	1322039	1	1838614	1247756	1275504	1071564	1076027	1291441	1318738	1325991	1320011	955400	994356	1235828	1210813	1174124	1192848	1295932	1283404	1449092	1419903	1470170	1391005	1344501	1391103	1504113	1482125	1396083	1400944	1321309	1311270	1415199	1333832	1204008	1309194	1100014	1095863	929686	949291	1240127	1236818	1028748	1038532	1452318	1373986	1019688	1029519	1615149	1618485	1373922	1445521	1057945	1130328	332172	323834	337822	356753	315517	313866	279434	269771	581564	554597	409601	396206	311421	325152	379132	360895	484339	457366	249647	262249	538382	497034	796928	792066	387656	393931	481900	512085	667276	616399	328688	327078	541838	544759	356029	359466	541801	519198	338010	312942	528321	510325	514779	542998	447046	443255
404.3143@13.667729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40694	60734	16802	30750	13070	24412	57036	23395	1	155633	1	132658	22562	38559	1	28483	29463	25388	24833	37780	29396	28276	24217	45776	25470	26152	58203	61412	13304	15490	21697	55445	124837	60256	27033	40162	36561	57016	26551	61036	135895	62734	31677	48098	83468	33682	23540	21504	30628	62225	51338	42580	67941	43689	48114	64139	35445	56816	52102	32937	12515	64986	42059	25606	26355	32640	40738	48092	63120	62937	35921	36372	35808	38337	52675	23010	38584	26930	45074	38052	50444	44532	80905	62557	53061	42708	44739	35183	51341	63613	61646	38042	49587	94108	100104	145908	96221	72701	86368	23581	69244	72047	22873	51162	51077	152141	89703	100741	57069	130233	168989	125125	57873	21592	61405	68931	142570	44073	77421	92666	88116	48308	83099	99146	80972	12744	26861	168428	128793	126400	186593	193032	53093	38064	83916	966724	88741	92326
157.0347@0.9370002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	419561	437033	410061	396929	454047	462894	451331	443025	466238	464831	422676	409552	440632	450656	355283	344191	414732	428147	423305	418267	390423	415591	256304	240476	373548	392748	382840	393224	331858	326490	329945	340122	388142	380689	359880	361602	453430	442170	474522	488333	457725	459673	455819	451563	458289	457733	472438	473097	482582	466616	389499	377167	462462	451062	528249	520331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84099966 :3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13494	13274	15621	14951	1	6321	21407	13169	15772	16320	18968	12706	1	1	25599	24260	26771	27415	16690	1	1	1	1	1	1	7252	17196	13866	1	1	1	1	6922	7243	12834	14015	8747	10857	12060	9152	29668	30858	15310	11532	24650	24454	22258	23634	25049	24128	25425	22595	25417	25264	32168	26491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.9042@0.861	233455	228437	247600	243348	257284	258736	224287	215947	244841	235034	263788	254185	256537	261454	220752	216336	241978	237447	237340	236374	242586	232616	199757	195542	230888	244948	223812	222790	204028	211442	292459	298254	314574	301307	308010	309206	304911	303393	296520	297424	303848	299662	286170	286192	274590	277526	277915	295234	284541	288021	192058	195146	294257	283203	315595	312855	299974	319002	225081	222045	238997	245801	155002	165039	296199	286920	291765	299518	283152	274771	99487	99312	156852	149658	257280	254586	296053	365162	314801	309395	148725	135406	176017	167600	268998	263403	56974	60619	82519	83286	91519	89890	139407	114781	88802	89679	119738	118302	233798	235935	141712	146348	199519	195780	210159	215467	284547	283044	198853	200668	233397	229115	219303	231043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H4 N5 O5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22941	23325	31569	18250	42994	39783	21806	23508	21870	34332	26943	28104	51288	47722	15249	24703	23952	23144	17182	18200	15306	20904	35736	15876	30606	17277	18438	18244	20381	41278	30825	30973	38844	36778	22750	35048	50453	18823	41686	39452	29942	16394	40866	13547	17694	16119	36000	37914	16539	16838	19632	20102	21215	30448	24632	22060	29049	28767	28493	28257	34451	25624	34164	32968	27392	30821	34351	34555	29288	32269	32761	23152	32904	25202	38056	32811	29051	35875	35165	35795	36538	32136	36731	36178	36985	34674	29498	30868	33955	24536	26024	22302	21350	39932	30113	29447	16551	32607	19912	32155	38433	39706	40412	21860	30742	30091	12669	16784	14010	14889	13954	14211	11891	10620	18446	22249	25181	16899	16513	12805	15007	9743	17348	22461	12259	11642	18950	18788	25577	22361	17508	17132	16971	19279	22339	21632	10952	14185	19161	20752	15196	13061	18597	22264	13040	13236	20448	16376	18108	20966	17925	18378
785.9244@0.88999975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7172	8643	8876	10015	31302	30974	1	1	1	1	7195	1	31024	32798	1	1	1	1	1	1	6763	6970	27721	26770	24701	25017	1	1	31513	28832	30804	28616	29119	31035	8675	12347	36459	34804	30507	29860	1	1	28453	30003	15185	14906	11235	13123	7684	6506	11171	14455	11179	6157	15862	10801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
579.6598@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16164	19877	18394	18426	21835	24827	27738	21684	20013	21593	22871	19111	16083	19659	11633	7361	18924	24029	20287	20721	24517	20772	18537	20383	23802	21690	24450	19995	16596	16871	16572	23430	22008	20902	14764	14135	19524	19061	25373	22266	20226	18892	23663	24435	17733	19943	21964	21037	25202	20403	18883	22397	23271	17328	21225	26264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
983.7507@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29518	28056	31018	29632	39152	35023	24645	29624	35360	23295	23889	18810	26559	30170	32499	31041	30676	31851	30544	15218	14770	16166	20107	23063	28798	33357	18712	22614	31323	29980	32928	35544	39286	37315	36010	38884	44932	47305	43356	53330	38410	39146	49267	49750	40604	39979	43582	39081	29282	27595	40087	35416	38060	39837	50264	45948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
128.0471@4.508594	191787	111237	202954	135908	110844	77663	132302	14268	53964	90817	65864	82258	150250	154336	85915	81418	1	75249	52145	94911	106882	74170	60690	35725	14454	1	28310	112671	60515	29475	30379	25765	73016	30642	1	1	45499	1	1	1	56909	35595	33887	72491	39208	86096	1	1	25437	12781	1	1	1	42412	28300	15651	69364	41999	1	1	1	48663	1	1	1	1	1	1	1	1	1	1	1	1	39838	53803	30665	56466	47543	130745	154200	35431	35322	31978	33840	27666	14979	18094	54800	23395	1	1	1	1	105775	22851	52047	26522	39887	63416	25100	111074	14932	45118	23674	61074	79470	59497	29371	54767	1	21914	1	59956	88585	78610	60597	47708	146431	92577	39272	44302	160896	61083	74889	70759	70649	106158	67943	46812	118702	68234	86994	54298	116791	107717	104470	115143	72030	81333	64071	61355	83240	88288	111589	94752	63692	53632	68146	76763	46032	50467	131782	125859	47725	76832	44950	44319	63075	83259	57753	52706	52026	46753	1	1	1	1	51210	32013	26222	44656	42082	68184	1	1	56586	101965	1	1	1	1	1	1	1	53563	69754	34038	56004	89162	83956	15764	34158	1	1	1	52260	99445	1	1	1	1	21339	27363	1	1	1	1	1	50087
540.2019@0.979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9238	6754	25720	28075	1	6025	1	6706	1	1	33516	35349	1	1	1	1	7142	1	11415	11043	26024	28796	22014	22825	1	1	34582	39260	29832	29035	27900	30747	1	1	39031	37808	24449	31835	1	1	18428	18682	9346	10130	11992	12492	1	1	1	1	1	1	13737	9594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.400002 :4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	124035	106574	214938	207858	219174	227571	188534	142763	165857	168659	233196	122464	214618	226246	59432	132114	112802	59467	131813	93504	84253	65856	112658	79207	75663	66169	140914	102493	185665	416742	68718	90632	59753	66120	90746	207976	65664	90087	68792	64511	135963	115596	139604	72101	60620	103626	92373	69792	121775	123763	112698	81994	108182	104779	158332	201667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
794.0691@12.170006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42865	45243	47758	37042	43748	38887	36372	81920	48854	44035	24918	41180	97887	25635	12703	1	1	1	13864	1	17040	27291	21766	19221	36060	17492	30756	24084	1	1	1	1	1	1	1	25424	33226	17578	29035	14853	28194	33510	29995	31657	1	1	43076	15361	22009	1	17406	1	1	1	27506	37944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H15 N5 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	183879	59399	123712	104578	115992	196941	175390	206948	76312	92112	109412	22788	237759	137860	80584	40993	53709	45916	53318	36334	1	1	1	1	1	36099	57225	67542	64875	55474	55495	53947	42097	55078	66635	89775	41629	53389	58200	60032	28553	41884	1	48702	54282	57126	1	35003	57544	55331	1	51260	30784	54410	1	54439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H21 N7 O18 nullnullnull 11.2890005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102578	74928	328801	69469	64843	78701	76684	99632	335885	123304	89034	69952	86150	68529	41171	38675	34164	29351	32021	154213	32402	30134	1	38387	1	30896	24395	31079	31498	24722	33357	32237	37388	32704	90205	42056	69465	32868	37193	31213	36784	40480	34968	35450	59962	28845	59550	44301	35142	42109	35817	35492	30907	36229	1	28146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-hydroxy-pentadecanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36210	38469	32949	75842	46647	92182	72556	43266	1	26600	104548	40605	23467	38787	1	44436	47518	119205	42355	112911	50131	50543	120614	171869	132275	125214	53003	51825	110710	115191	68141	42675	54651	110387	100345	70877	69775	56394	73728	48876	52777	132510	76672	147326	76069	112390	96463	116038	150142	63922	79911	34494	48486	65445	1789822	158994	94533	121277	162697	85601	73501	76480	187590	122626	61917	77982	190066	144610	175249	73039	126962	188366	72965	157300	132687	168628	186147	60109	83215	176863	169636	175801	184724	155705	43171	180993	57264	189470	70130	57067	65558	38227	34004	60890	56435	66781	74856	74254	176322	162259	75631	178295	99439	178334	66688	56709	216768	91625	154571	126546	72152	78666	156451	164885	142490	118236	189952	89190	86201	222038	83080	197930	151945	194259	198507	82027	69403	212274	60525	74222	146178	74196	180839	56550	148366	142249	205160	205623	68360	125069	161088	85358	154864	204223	53013	136599	1	80831	129430	108796	84517	97759
94.0528@13.402005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23885	21899	276356	12376	24080	40192	44114	16470	102277	23576	28905	223963	43760	615972	1	87969	1	26296	1	129528	19253	1	1	1	1	22074	1	1	1	1	12774	19142	1	1	64945	13769	14122	25814	65337	17835	28436	1	16898	77801	20146	18178	1	93410	1	1	9816	1	1	1	21420	16718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C9 H2 N3 O S2	9470	11172	8029	5891	9629	7605	6359	6107	9735	11858	9523	6932	11234	7784	1	1	14910	9102	8475	8158	7877	9734	1	1	8386	10059	7505	6659	1	1	17467	17768	15006	15310	18094	18724	16221	16219	14645	13140	17085	17364	17884	17758	10098	12358	11892	13071	19156	19120	9980	14512	15536	16749	24489	16739	20272	23268	7823	9862	13387	14483	21786	21255	11587	11446	10024	11540	8470	9199	25352	25397	13588	8570	17954	9305	17763	18698	10317	13203	15951	13746	15190	15362	7393	9145	15640	13495	13637	13304	22338	23479	11920	14120	21199	18451	24672	24162	10589	10870	21138	20392	12834	15907	20307	21472	9120	10289	10623	10936	18881	17223	19952	19844	31399	31683	36273	35069	33971	33532	34966	29634	30089	29116	17725	32794	30752	32815	24503	26533	29614	27937	22432	26213	28875	28616	30774	32068	24104	26881	29347	31314	28446	24138	33502	28197	28264	26250	29903	32337	32960	34817	28310	32482	15445	18796	27004	28469	32806	28604	23060	25363	31611	23801	14848	14359	16249	13161	12798	10505	21032	21814	12416	15056	15910	16588	9722	12138	11873	9938	9394	7133	10250	8665	6201	7322	11731	10458	9569	9501	16738	10325	17316	11001	9957	10078	10960	11046	9582	6908	10502	15177	12262	13891	1	9424	14399	1	7566	7137
C22 H24 N9 O17 nullnullnull 11.64311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136770	144566	91055	600692	85433	86560	119533	99305	101860	82593	84267	83095	153715	135513	80282	46751	228932	136102	117102	138166	162373	124048	107328	129050	124939	148119	99982	64861	130576	83850	85875	144423	122416	77339	98876	80669	160670	140528	128886	77473	67087	171382	158374	143979	88040	111095	43435	30168	81944	30627	59401	413612	78282	53016	84965	69079	13465	39425	49656	48330	120731	29530	43516	26085	11659	48688	41062	39154	20577	33081	41586	38893	42486	29488	21076	22870	36250	31898	28775	35898	24945	51523	56517	96283	14166	49647	40666	25360	45470	32167	24449	27196	35936	29996	37874	27122	46046	27494	52889	50846	54620	63701	25637	38260	42881	35479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
591.8673@0.8779996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49173	51728	48526	52673	48454	47789	50540	44485	45022	50339	40042	38489	41734	41254	37475	39521	44651	42926	48336	37022	41679	39161	37436	39900	46914	46567	38800	44507	46630	39179	40826	42188	44220	41525	30438	35972	47185	41903	51234	53282	52080	53999	49500	48445	56068	58780	56698	56034	32054	35725	48411	57220	58495	59985	66027	64347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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226.0846@4.1499996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48696	52610	1	1	1	1	1	1	1	1	1	1	59302	50568	39671	46422	48608	1	76702	1	86260	95368	117318	140268	64518	92648	1	50505	47797	64835	1	40293	39896	62953	1	82508	113521	107030	68166	74670	1	102477	48807	68747	82348	66243	1	1	130327	127804	60211	65667	98420	60549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.9929@1.0979997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40489	40672	42051	40611	83604	65058	30433	30907	26958	30683	38590	35862	99211	96661	26928	26499	105253	97714	116687	126469	97775	98103	62241	61406	76695	70513	29013	28704	81393	77926	65827	69863	88421	81326	24806	27630	90210	77124	73817	77233	36854	90196	72271	70987	43700	45537	127773	112684	108803	101001	40982	44151	31493	22759	63166	57027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Phosphodimethylethanolamine	310695	326349	345147	320235	173107	174691	326193	354615	258097	250112	187132	193267	228711	215382	201125	214420	274406	259111	211354	211703	160423	173454	322388	321865	240215	236373	188163	199982	311903	333448	119193	124371	54141	54079	66528	68918	26836	29676	36569	32018	72624	76062	47543	51125	95427	97050	74173	82155	46135	53328	11252	9544	71683	72707	15515	15454	172664	165563	9430	11559	10040	10260	20048	17142	9630	11274	33633	8048	30749	8169	89891	15477	10938	15107	8337	7738	15125	12493	11707	14320	83380	80541	11082	11906	8488	32710	20617	27382	17955	20699	10991	17499	10427	11550	21025	113373	19150	17725	14135	14280	34416	24925	11332	13967	11425	9193	5605	6921	13635	10317	16752	13282	96190	13678	7490	6657	7696	1	16013	16937	11413	10125	1	1	11878	8961	8896	6752	16187	17344	1	6941	15480	16072	8452	5727	8296	6182	9758	7048	13266	15047	15021	12107	6181	5800	8752	6327	8372	1	12759	12949	7438	8578	16838	20099	7555	1	13928	16712	14529	19248	7803	1	111934	115418	61175	61047	55636	61622	37944	34379	109190	115374	78010	74867	73434	74489	105178	97390	86298	86081	88952	86172	164418	159046	149902	148204	89881	89996	159634	158967	143603	144488	91983	96100	147148	138630	105210	105345	150627	149272	41139	42778	138510	138323	203352	202552	133339	134448
129.0788@1.2490001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7655	9333	1	1	1	1	1	1	15437	12583	1	1	1	1	1	1	1	1	11652	7848	9246	7282	1	1	16820	18345	10057	11442	14416	10450	1	1	11354	14315	9478	10479	6249	1	8620	7292	6586	6277	6395	1	1	1	1	1	1	1	7623	6904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H26 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30977	32224	31524	40599	44133	29496	30697	28663	29649	26634	31323	31253	37596	29341	25810	12427	20026	18830	18360	21553	15183	21108	23408	21042	18653	18399	24444	19949	18104	22382	1	17955	19795	19075	18605	16596	20994	20912	21440	28108	17213	23334	18880	16179	19917	16854	20608	15629	19158	15727	18500	1	18573	18960	30415	22051	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1281.7169@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15424	13331	15410	17683	14392	1	17313	14243	17757	16755	17003	16621	1	1	25665	27025	26183	25269	17286	1	1	1	1	9033	11259	8600	14767	14788	9441	11893	16633	16094	16568	14250	19349	23403	17860	16441	19461	24316	28508	25593	24192	23556	22777	28203	21235	29173	18810	24303	27865	24485	22714	22550	34666	24493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
277.8844@0.8681141	72544	59593	85128	79578	46990	40411	68889	72154	94755	103023	46479	41186	58702	59888	59957	50231	76710	84643	72784	69594	42544	37268	98144	60870	56873	50281	61183	57799	91449	83007	40572	40791	30921	38235	34384	29885	34870	32879	30264	28380	37635	35758	32028	28778	36610	38723	32068	32936	40879	36246	19688	23449	30772	32157	42057	31080	35938	37168	33088	37140	37139	34599	61618	71899	41543	35886	55602	36352	27446	32990	58815	68513	24113	22265	30926	33130	38427	39652	63744	48221	43687	47523	50142	53673	39697	26881	45441	47928	59125	40581	69062	56229	29870	31100	52787	31718	60637	58276	23334	36645	38278	38498	31461	27442	32569	44167	28078	24478	35801	32527	30195	34575	47672	46871	28536	23075	22962	25948	20865	13941	26347	27280	28669	27413	26405	27055	25657	27075	24353	28564	27391	28512	24682	25308	23142	29010	23660	23176	27431	25002	22425	25489	25162	23705	28052	31453	26663	24586	30799	26536	22452	26156	22642	30304	13643	17674	30001	30482	13863	22179	27196	23343	29205	32464	15562	11918	17454	16945	17586	15396	20134	19589	9947	14836	16666	15589	21425	19608	19099	19723	9635	12030	17195	20761	1	10071	11380	12080	14153	9596	7399	9889	12105	11669	20430	16929	11534	9724	16794	20680	14138	13292	25032	25991	14517	12498	8345	1	11920	12514
422.0899@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6892	9679	8128	5775	17693	17523	1	1	6983	9031	12816	12121	32188	35174	1	1	1	6778	1	8307	1	8936	21400	22073	15289	20159	15075	13908	28308	27268	20023	22527	32871	37184	1	10523	33662	30510	32945	31232	1	7648	21592	18833	5553	5454	6874	7023	9407	8334	6686	6622	1	6918	9200	8910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1104.2603@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19372	18056	21085	16513	14972	13031	18334	18629	20038	21944	19288	20606	8396	9131	20907	21094	28729	32003	20876	11380	10246	8318	9542	9910	10798	12427	23652	18055	10391	11865	13153	7745	16329	11507	14177	19582	18083	18371	18721	19916	30026	25329	22215	20629	27323	29600	26485	29941	24687	28729	26635	27049	22084	23048	31650	27426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20583	19213	18140	19047	30658	30980	17234	18571	17213	16028	14954	15550	20752	24676	22260	18596	19044	14847	19565	14455	10949	15721	17709	18725	22140	19738	10712	14640	27436	27318	38409	34919	34010	37405	37329	38936	43561	44956	38741	40168	19967	17047	43937	40536	32780	27942	30901	27923	8784	16269	29351	24817	23657	16755	29069	27041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
223.8754@0.86350805	20676	19067	22307	20894	25537	25446	21142	20627	24248	22301	23826	23549	22398	25527	18352	20863	23253	22148	24861	22754	24199	22979	22042	18691	25265	23911	21560	20589	22375	18761	26787	30169	32297	32067	30274	30169	31195	33015	26383	28686	28883	28601	28760	26199	27680	27029	30441	30704	27043	27657	16825	15624	30047	29155	30577	29069	29893	34962	21420	21257	29060	22650	17325	17974	29430	27336	29482	30116	30003	27603	10610	13041	15471	11940	26641	20941	26759	35675	29307	24103	14877	14188	18296	15788	26736	23434	7839	5594	7429	7403	10736	9161	12711	11168	11472	11176	11765	14223	20793	22058	14376	13587	17388	19506	18566	16956	28567	27047	18474	17450	21679	21034	21738	21075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9770003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10265	13932	9783	10900	14727	13671	9940	8059	15199	8868	7131	8865	25223	26321	6910	1	17942	16562	13667	16395	6915	6997	21895	20203	17173	17235	8082	8257	27293	29575	24279	23905	23790	23020	1	1	24539	24622	21128	20767	1	9824	16201	16030	7396	7785	6215	6109	13973	15408	7085	6064	1	9496	13993	8770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.635@13.665002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13683	17003	1	13054	26200	13374	15656	1	25727	22531	20663	1	53881	1	70210	175899	126802	25728	1	1	85987	56251	649833	1	1	63277	1	1	1	43523	1	1	1	1	101423	129981	40626	1	91589	1	1	1	135335	43234	81059	1	164732	111434	1	1	1	1	1	1	155331	129383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.0943@9.988999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8355	1	15754	14732	19836	18978	23679	22005	24977	18763	21712	21293	1	1	1	1	9624	1	15799	12759	1	1	1	1	15745	18997	13856	11183	10730	1	11220	13312	1	1	1	1	1	1	10948	11963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H6 N4 O21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17997	16377	15328	15712	27294	25074	9026	8113	8631	9549	1	1	27547	28084	8796	9442	1	8006	11117	6407	10375	11275	22001	21318	20748	22121	1	1	25717	27193	25355	26142	25713	23901	9086	11290	29682	30476	27339	27442	9962	10953	27265	26376	19765	18798	14675	16416	1	1	15805	16833	13126	14665	17448	17739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C19 H24 N2 O22	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34121	38944	41816	16968	47428	35491	46072	43019	35459	42638	22816	38135	49901	37400	22094	21425	24055	20391	23064	26089	26173	25850	32599	35210	9315	14676	24032	22525	24755	23279	21001	21591	25627	24404	22007	24885	21877	24662	29167	27094	22476	24283	24836	26260	25864	22644	32882	23201	48050	84182	23347	25988	23338	23525	48450	22861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.868 :5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10464	10803	12102	13561	28996	30454	1	8635	10421	10839	6150	5694	32023	29918	8493	7794	1	6361	8068	1	10105	11330	27875	26519	26174	23200	1	1	27099	31779	28258	27099	29125	25898	19103	17049	30552	31480	31773	30398	1	8702	26284	29230	9938	15187	14039	13331	1	1	10605	13296	11657	10811	21620	17270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H2 N2 O5 S nullnullnull 0.83800024 :6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	198016	1946582	1981500	2038100	176172	1650780	196563	2149906	2115953	2169657	195113	2074372	1191279	1164076	3094368	3005891	3047930	2949664	2375441	1477202	1143825	1302013	1005935	1090018	1326516	1494300	1994846	2152601	1318554	1302625	1549147	1634098	1604885	1623857	2519850	2597947	1908787	2010258	2138861	188057	167522	161345	2439509	2355296	2806045	167697	2837903	174710	3070910	169506	2827163	2838113	2920734	207510	3701929	3140552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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564.6711@0.8649815	23684	24314	18107	24035	18562	21950	24540	22256	25229	21550	20669	20670	23161	24353	20081	18138	25066	25226	20421	23465	17746	19525	19394	30410	20319	19359	21094	19652	23356	26092	11221	11902	15819	12458	13378	15556	13700	13482	13081	12550	1	11968	8394	16120	12418	13352	13716	12282	12498	16845	8609	7032	12163	13096	14172	13183	11774	11902	26910	22509	25808	26778	32434	27590	22953	21851	26986	29145	23844	25813	23355	22024	14372	16963	22799	23497	23150	23986	30004	25846	24279	25217	25009	26869	24139	24006	20073	19952	25697	20506	25848	25600	17442	16505	23719	29316	22928	24560	20789	22236	29837	26712	23740	25001	23347	28034	22996	22678	25913	25666	23493	22981	32465	30722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
341.217@13.376765	73636	64277	35416	36628	32388	33107	35508	29634	50299	35661	32887	39369	48083	36022	64860	27832	145950	21802	45582	15066	21663	39018	30339	50914	65177	61958	51648	55010	58825	64154	68369	59400	94276	64261	69884	48839	47106	85561	103386	137078	133921	50246	38619	70580	89488	58943	95410	103151	84465	48272	75591	77065	132883	115120	103214	54293	113838	124687	1	1	1	1	8741	1	1	1	9056	1	1	1	1	1	1	1	7324	7891	10637	1	13223	9759	9895	1	1	10320	9344	1	1	1	1	1	7518	1	9520	6480	14112	12087	13622	10175	12489	8641	14694	12261	12223	16130	20217	13330	9440	10185	14118	14663	9722	7593	40528	16584	17322	27122	14034	10060	15650	16339	15061	13466	17457	12387	17747	15396	17239	11989	16554	19386	12329	14617	16518	13097	14173	19937	11487	14320	13631	15357	13784	16749	16608	13788	15575	10998	11865	10649	11967	11837	15712	18201	20832	13668	19668	32421	23509	13209	15581	13456	13477	22800	16551	12876	101730	141433	201786	188659	149538	366883	189500	114073	64460	87264	51308	93373	341506	96659	47330	43751	50476	46835	49581	45221	52570	56642	46174	36535	56937	41651	50163	43987	46865	46311	52285	47898	51773	54445	50014	33159	47172	50787	49929	46695	52929	49881	54626	47771	37111	38374
187.9379@1.2989999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10616	10489	9717	1	19501	17647	1	9051	12802	1	1	1	14289	14735	20864	15375	1	11901	1	9815	1	1	1	1	1	12119	1	1	19846	23250	1	12286	15912	16454	33492	14797	33544	37331	19108	16176	18614	17554	33473	27395	15677	16610	12049	13665	1	1	26610	9130	19409	11480	1	23748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
543.6464@0.86143816	32875	33939	35323	32536	33765	31307	32992	28704	31336	31164	34252	30438	36136	39438	28795	28917	32910	35115	32828	38217	32369	32374	26348	30745	37012	29369	31752	36871	31698	37007	22585	25821	23473	28972	25513	20677	26384	21393	27774	30548	23890	24840	19166	20563	24495	19907	25330	22549	19556	23756	11018	10717	23342	29441	19861	21633	22499	26383	22410	19503	17288	24496	10951	12942	24563	20192	23753	23846	27537	24861	15437	9745	16757	15559	23907	25300	22476	15275	18597	17223	12693	11996	14470	17596	24077	23333	13783	1	7606	11958	12921	10129	14284	13402	8130	10523	12332	16808	22193	24186	17020	16298	20151	21454	19449	20553	26844	28185	21449	20021	22432	24652	19813	21903	18920	26691	24761	21335	16556	16321	25027	23270	22053	25669	23813	22829	23026	22790	20730	20156	23983	22675	25996	22364	24495	23936	23484	22340	23973	26005	24075	26218	24013	24161	19449	24354	20103	22258	27656	23891	23668	22446	21688	22902	15903	13775	22070	24393	15763	17980	22270	24207	24277	21417	16736	14017	19988	13354	13040	14274	20439	20339	16159	17856	16265	16306	22192	23640	17570	17124	17475	16050	15483	16531	12180	14288	15188	16598	17256	17194	15292	15826	12979	15547	17220	13830	16327	14665	17187	16234	15005	14159	22925	23731	16490	17323	15143	12604	16544	15232
C24 H6 N O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10957	11857	13788	15090	20826	21430	13021	11299	14295	14503	12129	11530	27767	26871	1	6972	10975	11692	12107	10340	14667	12889	19241	19735	16049	15656	10573	11684	23476	23086	21682	21705	20365	22524	7123	7434	22991	23295	19106	19205	10875	10788	21061	19085	15543	14547	14481	13710	10041	10521	7708	9222	10729	9995	20350	15678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.8458@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30966	33992	37047	33160	63919	60497	29400	24200	31963	25437	24365	24505	65401	64274	22313	20251	23052	22255	28892	26515	29089	26744	52480	52279	48744	49669	25701	18009	67838	64790	58431	56869	64925	61364	28042	21831	61508	60918	51649	57865	25845	27346	50632	53071	32673	26699	32539	31543	18040	19156	26797	25669	29147	27895	34806	32231	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.9038@0.84906894	25800	21309	23358	21520	28820	24963	20390	19393	23629	24007	29304	25623	24819	23920	19699	20909	22687	19286	22583	17987	25730	25393	14861	17221	22110	26651	25071	24924	14620	18456	46490	49101	46658	49690	47813	45934	48080	45358	50186	49354	53550	45882	50425	47563	46576	46147	46270	45350	50046	50176	43993	39945	49003	53300	60079	54782	53239	52752	16235	16430	17295	17520	13373	13398	21867	22301	21570	19480	19105	19017	1	11268	16292	13126	19683	21484	19512	20414	17557	16055	1	9710	10393	13967	18399	16597	1	1	1	1	1	1	1	8667	10608	9632	12572	10693	20590	17846	13869	11751	16900	17414	17989	17975	23401	27814	15900	17833	19206	17815	21193	18838	40146	38284	42436	41269	32977	32556	41486	40940	39678	43506	39324	36535	37950	40804	34979	34728	42311	45257	37933	36802	44649	46798	47231	43242	37904	40932	41353	37844	41997	36641	46193	47718	41463	41886	43076	46115	38412	39963	43727	43877	29815	26698	43839	43539	32813	33787	38994	38532	44666	46670	21250	21660	27321	28671	24026	21452	39682	38475	22329	21753	27943	25783	38766	38437	31020	30613	27933	25762	27832	29526	24246	23694	19275	16981	28354	26281	22100	22953	23825	25112	30992	29734	21032	20484	29192	31425	27605	25673	45696	43773	26027	22305	21038	22534	24321	25779
880.7942@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28343	29162	24165	26240	20086	21482	25262	24476	25820	26534	32560	28016	19053	25603	35138	33134	30412	42734	32401	12385	1	13914	16275	17766	18114	22443	29058	23795	24751	24753	30589	29509	26535	24728	20855	29795	26055	21072	34572	34251	40283	42720	35695	31079	39656	39917	34440	34930	37039	34791	40827	37251	30859	43592	52158	40090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
760.7049@0.87699986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28948	27192	17115	17800	29989	19769	26040	23974	22397	24136	25418	18946	29337	27655	14238	16646	32143	30163	30828	29906	18462	13120	19113	15483	22575	25783	22789	17841	15864	18566	19205	21149	26957	21696	12493	13136	22430	24831	25247	24954	28894	27889	27317	24122	19961	29437	21895	26908	28146	28994	16547	17406	25106	22858	28343	27051	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
539.5822@0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8154	8213	8256	10616	10882	10254	10832	10042	11025	11715	10850	10011	9557	10534	6848	1	8378	6983	8920	7377	9368	8160	6733	1	11658	8477	9334	11892	11601	9664	10398	7762	10085	10063	8324	1	10306	9463	7946	10779	7039	9628	10362	9125	7662	6147	10384	8697	9621	11681	9218	9448	8974	9249	9959	11829	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.6829@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22785	24099	25423	24091	25561	22592	25344	27999	28086	29152	24522	22183	25806	31692	20707	18141	28815	26003	24930	24432	22574	24670	24155	23427	27958	26679	23201	21608	25838	22759	23718	23125	27109	31343	13070	18882	34507	26402	28306	30610	23367	28980	35848	29007	24301	29032	26505	23457	23617	24483	32972	24890	29991	25574	29302	26653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
597.6361@0.85854656	15806	13420	18819	18157	18908	17260	19721	15911	18250	17625	14734	14973	18918	20100	14549	16638	18916	17926	18487	15363	19589	17758	16858	19843	14943	19835	17200	14572	14056	15444	18650	13543	16398	16017	15127	17412	16338	14464	15355	16921	15670	12812	12918	11011	10667	14028	14222	15196	13331	11569	7010	8138	18644	13903	11635	14253	17231	15969	22012	25077	21339	21370	15659	16162	25367	28536	23357	23861	22423	19377	15499	10795	16294	15578	27492	24828	28171	26898	22085	19091	14314	14451	16250	15614	26303	23975	10729	12248	16173	16455	17596	16299	14595	14696	14734	17234	16461	14791	26995	25752	18291	17778	19910	21190	24144	20899	27508	31609	17646	25214	22613	22740	24076	22755	9635	11133	10661	10884	10790	9453	12566	12302	11074	9820	14805	11376	12459	11420	11959	12146	11357	11454	13484	11710	12419	12637	12549	12271	9862	11893	15062	13581	12007	12497	11682	14614	11580	10128	12202	13689	13769	15666	13142	11937	6872	8376	9889	9117	10379	9384	11842	12428	10268	10349	6145	1	6777	7192	5993	6117	5970	7632	6503	8169	6558	6690	10302	10333	7716	6430	7560	7363	6399	6223	8688	8104	9367	8822	8618	6583	9327	7914	10020	8587	6680	7326	8985	6837	8600	7386	8880	7579	8638	10510	9444	7672	8650	9345	9360	7742
413.189@3.3450007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6284	7772	11253	8267	1	1	21941	21122	14607	14427	11966	13587	1	1	22061	23627	16299	15062	1	1	22477	22698	1	1	9029	9637	1	1	1	1	1	1	1	9671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7421	8326	1	1	1	1	8000	8085	1	1	1	1	6282	1	1	1	9223	11197	1	1	8598	9164	9008	9218	7700	5945
146.0946@5.8769994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25542	32523	45460	45773	48411	47720	66804	53575	79945	62285	59097	56658	16580	1	1	1	33594	43700	42347	51503	1	1	1	1	55768	61620	31593	35243	17448	28858	31705	45495	12691	1	25876	20636	26095	29939	33332	30731	15801	34641	22258	11466	22428	17202	1	1	1	1	22593	20001	1	1	14652	11415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(22:2(13Z,16Z)/19:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25901	22677	22473	26500	25862	34610	28408	21003	28768	29847	20128	30214	37891	34360	17462	12275	21095	25347	25678	34781	26761	31582	27857	25323	31834	26338	25181	18025	32979	30919	24080	26555	27838	21000	12218	12640	28713	27448	28266	30533	18850	21616	26109	24661	20064	22704	27308	22006	16584	25135	22847	24324	25080	20446	30248	25305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.0965@0.9836091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12357	12847	10991	8252	1	1	1	1	1	1	13581	14086	1	1	1	1	1	1	1	1	25248	22504	15923	16515	1	1	17045	18443	14665	15551	16600	16300	1	1	18578	19356	14476	14465	1	1	17492	18334	1	1	6625	6287	1	1	10590	11102	6875	6797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13464	14275	1	1	1	1	1	1	1	1	1	1	6863	6699	15057	14128	1	1	9729	11671	7158	7452	1	1	8104	8328	1	1	7921	6132	1	1	1	1	14011	15299	8918	8149
506.9543@0.85599995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17935	19040	17949	21278	21364	23884	12936	12184	21574	18425	32729	32084	33682	31945	10470	10182	19472	19631	15160	11473	12798	12580	21901	23669	27756	25045	30574	30858	29478	31780	25876	24419	32102	27357	12608	9933	27913	27353	36918	32396	13715	11054	24727	26241	13059	16312	19718	16874	23598	23862	20039	19905	20296	17282	26207	22569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
367.768@0.8681262	43176	41182	43406	41165	36555	39758	37970	40992	41052	34542	39048	36768	40283	38387	35111	38827	36032	37982	37299	40370	38236	32309	41575	42748	39123	40323	40816	39978	43138	39799	21819	18589	22660	22855	20829	18546	18255	21818	20141	24267	21118	21872	16819	16313	17501	14418	20417	23545	14009	13635	9545	8367	24869	22356	16125	18225	23171	22261	24594	26999	29608	25343	19878	20985	25073	21955	23590	28986	28507	27430	19314	21980	19520	19514	24217	24160	25076	18477	24974	28637	20547	22484	27526	24726	27202	26014	15441	11028	19822	16331	19011	19723	21780	18060	19815	19850	22943	22342	28465	27288	23350	25399	22005	28452	25317	27676	26520	24850	27258	28279	23585	27602	25395	24842	9042	8178	11491	7684	8172	6469	10389	9655	9052	7932	9829	10039	9562	11196	11590	11767	11289	10955	12130	11050	10187	11640	11231	12088	11807	10185	11661	12832	10603	11427	9855	8698	10646	10614	10048	10174	9289	10065	12703	7595	8277	7247	8183	11481	7945	8696	11486	9713	10854	11156	7243	8272	7608	6545	6825	7393	1	1	8499	10680	6414	7550	8217	9182	8255	6760	6722	6671	6819	5965	8809	6779	10192	9365	7743	7526	8108	8486	9081	9755	6980	7590	10328	9396	1	7491	6937	7105	6865	1	9516	8970	8480	7389	9663	8742
C6 H Cl N O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	122701	128536	88040	87626	108283	103088	80063	109081	103920	132594	96663	97550	110755	112598	108520	98977	165128	168389	157439	125023	74381	91815	30154	23441	97737	118889	110602	117019	111039	122048	80765	102710	138204	130300	55068	96188	169642	159940	149480	148093	175224	172505	153513	153288	153555	160433	139723	182235	203237	204164	130298	135217	184540	153129	183178	192589	55013	51114	53827	52050	56275	51321	59026	62418	48076	53601	60284	58512	57389	59680	56947	58291	57277	57459	59620	62618	60287	59080	62732	62448	58829	58383	67673	69241	57724	58324	54545	55076	60452	54441	51102	54194	62245	59899	49483	56717	55898	59265	48370	52823	76476	68302	66097	60000	47886	46631	40028	40166	42020	39461	44069	42487	35792	36236	64518	64726	49135	48839	48412	44148	42404	42230	44498	42921	36635	34533	51110	51239	85546	82686	41541	44273	56239	57108	73233	69660	38558	38678	63569	56665	40068	45791	57901	51787	36144	35710	52947	55067	55659	55684	59711	61062
> limit nullnullnull 0.843364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7271	1	6650	1	1	6436	1	1	1	1	1	7310	20831	12037	13187	11882	6265	7863	5952	1	1	1	9423	12949	10286	13829	1	1	19331	24608	20564	15581	19241	19148	18889	24127	20674	21224	23052	20683	10214	12783	23514	21654	16645	17759	12573	11202	6173	7017	14431	12340	7163	8580	21469	16369	10295	11401	8743	9745	7775	7101	7821	10029	9163	7478	9824	10090	11896	7452	6458	1	9516	10489	9747	8528	12901	14159	10692	8675	10018	7893	7669	9448	1	13211	10709	10614	10401	7393	8479	8731	13044	12079	1	9663	14632	10321	9341	8746	10408	11279	7784	7469	7135	6951	5598	11654	7885	8724	9789	7534	8329	9945	10709	10777	7128	7555	9623	9681	8212	10617	11413	9954	9946	6649	8912	13060	11777	13636	8648	10247	14398	10486	11855	15443	11532	7868	9606	11247	6794	9596	15708	7399	1	8116	11754	11082	16547	13390	7595	10577
334.8287@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16278	14778	18216	18966	29849	26846	13702	11043	27958	25591	8046	17116	32898	35528	6519	8885	13865	11234	14075	20205	17283	20630	30964	30249	29041	26404	11898	12000	29399	24151	26430	26160	29402	26217	14998	15471	33373	24769	31248	24038	14103	11807	22523	26348	17073	19894	20664	15645	8242	18081	15796	16278	14661	11078	23752	19716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
90.0125@0.9529994:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	96320	103572	82581	91258	97774	97426	107161	100496	100447	101678	94291	100173	89199	92443	94458	89507	109645	118027	113489	112794	95966	113854	76877	77184	94902	101154	106003	106479	76274	71428	77585	75639	98691	96867	106368	107556	104631	102957	107496	110152	112266	122912	100465	98157	116261	116462	114288	120450	132994	124952	93619	97988	112957	103713	141092	132681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H49 N O6 S	11940	12838	23711	24677	1	1	28539	26853	43747	43357	12878	11952	26296	29291	24079	23917	31939	27404	25066	24920	17147	14886	32581	34532	18213	18461	64199	64670	65842	66734	48203	48022	50552	53567	30771	32126	141480	128966	203414	200658	79672	79211	31784	32680	51276	51564	114558	122505	9523	10173	15436	15027	146474	146658	7643	7552	54245	55745	16876	18562	19455	19927	1	1	12207	11023	10002	10941	1	1	17364	15666	14685	12892	1	1	10679	10239	15736	16910	1	1	7743	1	12142	12159	1	1	1	1	9953	12494	9938	10568	1	1	18849	20553	22663	21837	1	1	21814	23303	12053	10424	1	1	29071	26999	17360	16785	24463	24482	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25558	25872	66396	66473	68036	66127	73167	74168	1	1	168211	162793	128526	128836	38956	41163	270943	267185	85459	80692	302369	300903	1	1	201394	196935	270595	274808	1	1	58835	58300	1	1	33859	32562	541082	540048	79594	85120	314796	323316	653954	672594	230797	232489
481.9771@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13158	10865	1	1	1	1	1	1	20790	19545	1	1	1	1	1	1	1	1	8792	12371	8085	1	1	1	23645	21793	13589	13907	18370	16688	1	1	16197	14850	9990	12119	1	1	9923	10337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1021.6879@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10989	14626	15798	13594	29265	27546	15821	14448	14782	9250	9894	14780	28570	29832	11912	6292	14173	9272	13867	13345	8617	13357	18573	19083	20381	22259	1	10311	31585	28337	33382	35529	36961	34447	24358	22450	43486	40573	34898	36226	8747	13058	37653	33128	16565	16846	20369	18470	10752	8210	18461	12756	15250	11660	17616	16097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.0226@3.034177	61432	85865	48096	81062	51620	40313	44563	68252	42183	65448	42113	49073	58501	150546	39989	65781	48773	42868	39001	55637	37151	31640	23244	108656	21592	15519	28791	47696	36753	82735	27370	36358	17453	92529	35859	38391	16487	38754	20054	28567	27342	36444	22620	34140	46457	28328	22038	17264	21323	15809	1	18265	1	1	14163	18566	15566	31898	22814	30517	33961	31873	36901	29318	59392	35533	43248	53168	52983	74627	72053	55976	1	1	10986	21676	21650	23623	1	20312	17455	25668	259093	19262	16865	13602	21930	24842	25670	13588	21441	26986	1	1	1	1	73992	1	8514	1	32688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
406.7699@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10500	10034	12615	8561	21002	19882	11974	11634	12716	12529	12448	14366	24693	19936	6374	8173	12762	9842	12846	14185	13894	12647	15953	22581	19460	14506	8909	10137	26252	23304	22160	17608	21211	21900	8115	7470	20940	17986	16242	19198	6176	6781	14585	13749	8585	11755	6727	8261	7503	1	10280	10984	10260	7919	10442	8510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
531.8769@0.84584296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68929	67702	71542	74456	57339	53986	75024	72123	73938	80134	65778	65176	39059	48393	60705	65129	72191	79868	72408	51562	48837	53661	42048	42873	52712	52379	62046	62903	35475	37861	43713	48423	47280	46759	59947	50466	44203	53594	66586	61093	83150	92420	70134	64505	83733	89571	83343	85509	66091	72310	84477	76907	92808	76677	89277	82126	19347	23526	20918	23705	24714	21631	22175	25613	16477	20247	25904	22122	29824	22516	23361	24058	24856	19461	24634	23448	23355	21772	24516	24862	23072	28672	26585	24631	21219	24679	23508	20247	21624	24082	18084	19928	19775	27733	18673	21566	24890	23054	18715	21686	25264	25319	23389	24444	21664	19712	13900	17117	17050	16127	14130	13336	14357	17227	21010	14182	15625	14953	17936	16255	14606	15927	15659	18572	14314	18225	21491	20178	24134	24938	18203	18131	24655	20966	28921	24450	14765	17404	17259	21870	16063	17620	19329	19282	19666	21538	21732	18660	23977	21459	22588	18539
1141.9698@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15139	18336	1	5770	5640	1	1	1	22419	26038	1	1	1	1	1	1	1	1	12856	16720	10162	10772	5924	1	35425	35110	26951	24762	20233	21402	1	1	28975	27808	18896	15996	1	1	12703	14411	1	1	6501	1	1	1	1	1	6877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Apigenin 7-glucuronosyl-(1-2)-glucuronide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101604	114121	178437	179064	108734	60270	87936	77513	88983	154550	60047	38821	88241	71884	37719	54067	37776	37820	66024	16355	52562	36656	99869	79981	39546	28242	58080	64146	41516	80689	85243	86067	37121	31220	29231	80857	74593	23345	66391	34535	109256	24461	36153	45364	103968	65977	71445	104896	36045	79309	65407	41644	106712	44501	244856	104913	61850	32649	1	35238	1	24956	53071	19173	42555	32251	74121	70011	1	22718	75400	109629	29011	1	74756	76696	1	62779	52345	33265	1	40851	31657	60779	21876	76605	44230	50611	74469	63605	53858	1	34630	61723	29811	1	29280	50738	36515	22149	1	71182	72527	101204	57543	20641	1	1	1	1	29052	1	1	1	1	1	63348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43599	1	1	1	1	1	1	39176	1	1
348.8147@0.8659999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7960	6375	7915	8010	14118	14915	5810	8910	7147	10190	6531	7983	14114	13914	1	1	1	5849	1	10482	9342	9883	11998	12474	12169	10780	6379	7126	13196	16123	11565	11785	13455	12904	7613	1	11723	9098	9411	8010	1	5620	1	7937	1	1	8064	1	5985	1	1	5906	6771	5745	1	7979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.0394@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34474	31003	12117	14196	31069	31685	1	1	8355	7938	1	1	56903	57512	14680	14258	1	1	15218	12874	1	1	34391	29666	48188	50036	1	1	48002	46986	44428	42492	46811	20404	1	1	29870	26963	63300	61891	1	13252	26310	26615	13944	15129	13154	15137	1	1	29205	31696	24303	25975	17306	18717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
857.7709@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21679	18916	20256	21099	28013	18680	19920	23558	15155	18590	17972	19637	21365	22438	12487	13289	16023	23811	20395	13275	1	16791	11444	16086	16713	22746	15897	15168	32013	30977	35952	37863	33825	34622	31854	36291	50612	48016	38644	37673	23911	23449	34796	30215	24839	20108	12827	12581	16079	16979	21353	17196	18864	21001	22050	21280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
955.7749@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36430	41552	37626	36327	35619	33909	38874	38052	29082	36268	26944	27433	25418	24566	46279	43036	40261	49718	36823	15407	11436	19170	23696	23021	31407	34247	25793	32350	30948	28865	33231	28221	39990	30025	33245	38987	34047	35911	45193	44874	48722	46166	46418	44283	57865	55132	52079	50812	39379	42386	51707	43105	44066	49505	66355	49390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H2 O12 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41653	38991	17221	16257	26596	24489	19859	20615	28551	27001	22593	23334	29073	26781	17983	17706	37506	37198	36330	32232	11900	15277	24253	23102	29858	27647	25566	26328	52593	53542	38114	42184	31038	31060	7932	8067	41822	38703	38946	42346	35328	36140	39613	39618	31127	38337	45827	45739	56930	54768	33373	34412	46198	48550	47312	57444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 0.92122906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10894	1	1	13642	1	13258	17616	13163	17321	10853	14482	15933	22511	26115	14870	10284	1	1	11476	1	1	12116	16255	15383	13914	12195	17649	19249	17142	14760	15785	11111	11705	13585	7823	9834	17856	14346	1	1	15673	18614	1	27164	1	1	1	1	1	1	1	1	1	1	1	1	15754	22661	21720	25467	14926	16694	38203	20216	18997	19702	24327	31445	13776	16856	38098	40073	94182	30689	24869	25034	14707	11347	29345	28129	56597	19747	18182	15119	26110	20071	15554	14287	1	1	1	1	19884	18402	1	14786	23723	15259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
529.7456@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22743	20909	23589	20409	26309	29017	19441	23893	29116	23003	23927	24751	24823	34674	13235	16526	27160	28992	26497	25524	25575	25822	28125	18966	26511	24853	22615	20634	23290	27917	25365	19401	23044	17970	12295	13867	22686	26920	24734	25836	28050	26083	26672	23526	16983	22546	26783	22336	26753	32079	27523	19481	25021	23844	27624	23715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
642.8012@0.8639997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16720	11132	16006	11104	22461	17909	9996	11767	14332	11277	1	11110	31262	33509	9714	1	12246	9141	14096	12573	1	14028	18560	22551	24299	20121	9667	9978	33219	28437	22500	29113	28804	24874	11265	8627	26433	28665	27238	23661	13017	9663	20464	20608	15201	17386	10039	13576	10078	10406	14756	13228	12636	1	18549	11667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H11 N2 O19 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7573	7902	9083	8474	22570	19102	1	1	7152	1	11903	11637	24479	26197	10418	9585	8886	7390	1	1	1	1	14571	15720	13625	18669	10533	12477	32031	35299	32247	31538	38349	39306	17354	24815	42545	43761	44014	43489	7560	6998	34986	33513	13628	12993	14474	15087	12316	12519	13479	12818	10053	11065	20660	17140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24376	19356	20685	23298	23758	30938	21994	21998	24770	21374	16880	19119	17691	24594	16221	18822	22810	20393	21396	17357	15604	16011	13836	15294	23644	15300	18015	20321	25682	26238	31042	30224	24318	30132	22179	22906	35540	32309	32085	35409	18252	19130	36836	30037	24582	26584	21940	21675	15049	14334	24619	23826	26939	23688	35405	26050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H16 N2 O19 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14874	14592	13270	15236	27710	28585	7529	6962	6663	5823	1	1	33213	33328	6725	7931	1	1	6168	1	8766	8850	25422	26886	24525	26341	1	1	30446	30625	32899	32986	31994	33657	10654	12057	36711	36808	38112	33879	7159	7295	28999	32657	15839	15827	14107	15000	1	1	13306	14791	11898	11637	17307	17303	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.7858@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79254	83369	78936	77367	64625	67645	80373	80247	83653	81470	72439	71929	43235	45065	60163	55824	78576	77711	75992	57041	45275	49063	36662	36899	55758	61784	67357	66594	59466	55506	48402	42477	50359	55199	53714	45898	58708	58694	59739	59784	77583	70741	64654	62741	73826	80018	76344	75083	57701	42176	74208	75120	64292	72359	65491	76274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
89.0161@0.94599944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27522	30195	27039	24673	23324	23377	24355	30611	31233	28009	22004	24787	19275	24270	35830	27905	28760	30919	28784	28512	26325	33341	19555	14697	22178	24142	27107	27179	15607	13885	18920	18233	24058	22171	33567	29964	29040	25637	26872	27768	33633	34859	29931	23933	31491	31973	32129	33870	36946	37672	26073	26332	31866	28648	42317	35725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.244341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74653	77291	81981	81747	72049	82255	74461	104117	99480	73679	440559	72693	65259	206917	38743	48380	42577	131251	15159	34421	248524	47986	48373	53294	50134	45619	234013	56615	40131	31418	42412	47332	34378	34966	36290	36679	195715	38813	42585	44695	51045	48685	47015	44791	46874	49254	54382	117512	41667	60345	37484	46612	41532	41917	64693	117872	23186	29198	21364	29093	27558	21108	28736	20984	19109	25010	20901	24483	24137	26389	17519	22961	55284	27709	21910	26249	21926	29849	23687	24430	20582	26690	23653	29948	25408	16908	24417	57808	29291	21685	22635	29563	21755	26046	24245	22209	23789	22833	22427	24209	18503	25614	29910	25955	27943	21713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H3 N4 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28065	24917	26205	26252	16291	14772	22145	23158	27272	22788	20915	21593	36196	31938	15986	19105	17696	17942	18854	19676	22825	25097	29214	25968	18555	16937	18626	22675	33903	31432	23013	22010	29392	30197	7112	7041	24332	24708	19953	18575	24563	25601	12767	12965	28542	29559	31384	29424	24028	21007	23928	28188	28480	25724	1	17382	13881	14563	7398	1	16748	16236	15506	16066	9187	8405	16446	12555	7885	7976	11255	11161	9590	10435	13071	16018	14026	13863	15988	19044	16485	20780	19307	14702	16230	13434	15652	15557	10605	9867	7508	10143	13199	15648	11661	9191	6685	6774	9133	9519	20492	20589	15048	12756	10472	11737	1	1	10709	1	1	1	8647	1	36984	8358	18497	9350	6852	6234	6434	1	8078	7891	1	1	7913	24335	39668	13495	9405	9036	6365	10692	49828	12407	9777	7891	53455	42701	6282	6231	6600	8323	1	6699	6485	9502	26248	31320	26685	9370
596.8699@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26542	26123	20244	20438	21033	24156	20654	18924	20375	21027	19148	20771	23654	13291	15244	11552	21837	20039	17093	16168	18259	21840	22598	19330	22051	23507	13690	15164	14484	13405	14493	14763	17272	15524	11903	10673	18567	19531	28354	24453	21504	23870	22387	19507	23606	20982	21758	24985	17234	17656	18750	21177	27636	22061	26402	22991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-(+)-Xylose	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	98757	86408	86819	87600	221857	233599	47173	46452	63545	58212	60369	71149	431306	441130	37305	39166	40277	42836	51298	49577	110514	118334	382460	371897	311983	321304	27032	67059	527757	524201	381155	414043	440583	439215	53306	74842	398860	402997	397892	407870	55818	55777	223240	227282	109973	115936	105022	116504	27427	29902	51286	56152	85218	77779	192716	168664	10809	10598	1	1	1	1	1	11949	1	1	11006	12018	1	1	16707	15164	1	1	17484	16389	15393	16159	12032	1	13897	15286	9131	1	12824	1	1	9860	1	1	1	1	1	9806	1	1	21266	18206	1	1	13888	15981	17974	14310	1	1	19061	15576	21237	22163	17104	15315	1	1	45283	47916	20087	17564	24610	21154	22016	28497	23080	26078	1	1	46432	50865	52904	53068	19157	18360	50923	47981	46053	45946	17160	14274	45536	41455	14930	13850	33857	29497	25940	20784	36044	32972	48160	49301	45143	41746
1070.2717@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16439	17679	23217	16914	18585	10019	16020	17820	20577	21064	18527	25128	10792	14257	24511	21620	28923	28253	24637	11704	7007	8211	9223	1	13055	11081	22825	21051	12301	10925	10838	15868	9169	17390	18240	18773	19562	18092	16662	19488	30731	30315	23340	21861	30743	29998	28536	32648	32671	33658	30792	28356	27543	29074	41397	30652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.9822@0.8404923	47832	53634	47119	49828	37671	49744	56113	44102	55464	56791	40980	44800	37548	60668	37305	51088	49341	34800	43854	50147	50579	45095	55435	49083	45412	49849	44893	54827	47784	67641	45095	37178	31340	46571	44855	42507	52351	34535	44138	53420	37796	46499	47788	42853	53320	55193	42631	47441	38359	34679	40867	43086	54459	47313	38748	36291	48041	53844	16658	21754	36792	31663	25625	16474	35321	25944	28352	18086	19184	26221	13170	44227	25632	50325	39162	28323	28563	41190	30032	30431	26293	26959	22524	17384	37154	14264	30867	12779	39377	23786	13660	13166	41437	24052	30409	51399	20562	27137	31686	20492	15336	29919	32328	35579	41036	37800	25158	32228	40697	41887	30551	22166	29710	19795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.318994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	122205	61318	57957	50112	142981	19277	128672	60139	67440	59707	62125	54793	101824	170127	70004	69783	43297	56283	46549	45814	62933	46384	18763	19376	54067	57381	59015	59823	56181	58982	59886	57302	61389	58145	44566	42132	57828	32667	63755	82149	57628	54200	55844	62714	41922	62819	18446	72829	65475	71844	53323	63557	61482	59317	97736	29113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.8929@0.880508	142528	138723	113579	111332	197511	201902	112014	115036	164629	157807	215056	212528	149195	153336	112977	112917	135589	135141	140553	140530	214173	210787	87130	78375	184792	192925	176352	178341	107499	101879	369634	366423	360637	357726	403806	402678	390592	393501	303432	308904	380797	393604	376468	379697	253498	249952	289775	284630	410008	418454	352262	366657	288444	296619	465823	458434	327274	338536	175243	178810	130527	131139	72024	75950	208193	209648	206391	205158	171785	171445	34806	34702	187080	184808	214483	202772	174274	122484	69648	74258	21012	25695	46170	46606	121849	128316	22520	22431	28956	29042	33223	31225	66922	93385	37332	40528	46044	47341	159994	150632	58152	57398	119798	117155	112033	110484	193137	189320	98239	92011	137627	130249	106859	118757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
406.1438@3.3369987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5946	1	1	1	1	1	1	1	1	1	1	1	7872	1	1	1	11316	13189	12881	12540	11826	10655	1	1	23725	23229	17636	17897	14795	13606	6512	1	28662	26899	16982	17760	12619	14068	27962	28162	12600	14199	20934	20354	11611	9505	14153	13291	12797	13352	27298	16334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 Cl2 N2 O3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27896	21206	20356	18608	21435	22229	25521	23144	27496	30173	15718	18026	17352	18111	15000	9470	24252	27494	25052	20457	12391	15798	8914	8519	12218	13342	14909	13730	13515	14901	12154	10180	12546	13300	1	8291	11855	13078	13037	16469	1	20015	17635	14281	1	18495	1	17247	21003	1	13787	14209	1	19959	29667	23744	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DG(15:0/24:0/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24402	20638	25221	25288	20951	22232	27499	28627	24040	27196	26012	25559	18980	18813	16743	19384	35432	28015	29312	30046	23718	26715	17404	11237	22954	18370	23165	25781	15513	18073	14882	18143	16144	13223	17638	16881	18748	17491	20080	21713	31956	27972	22374	22538	24123	22224	24420	30410	23884	23153	25427	26137	27253	26807	30199	24596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1146.526@0.97900003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7506	1	1	6561	7755	1	7662	1	1	1	1	22420	20158	1	1	1	9436	8056	10317	1	1	12091	13476	9383	10312	1	1	27230	28966	21015	20294	18042	17707	1	1	17511	18177	12918	12486	1	1	8112	8250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.7942@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22746	20238	22638	23062	27469	27687	20638	23245	23357	24520	19521	22146	29890	32401	12753	12946	17634	11876	20150	22402	28946	30742	26900	22908	30526	25413	15751	17946	29445	25629	25052	23878	22509	21460	15254	13689	23649	21039	23139	21034	16361	19610	21310	26491	18279	24433	19636	17486	14773	15057	18832	21373	21141	20071	23210	19814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Formylpyruvate nullnullnull 1.1619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70948	67065	103305	53774	222874	228590	918479	919973	34399	41880	89386	98318	190222	316388	34157	38919	110591	102441	933657	925320	795553	827680	247356	235980	658079	648665	794048	782546	227803	194075	266810	307535	106459	233458	29744	80470	112379	291719	550691	558057	487788	466908	662947	651661	279568	276458	282285	287589	69912	102127	100412	108385	76524	73457	93105	70517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C4 H2 Cl2 O4 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41234	36808	36948	35898	49381	41519	31933	31252	34853	33990	37100	36330	63647	59878	29246	31234	32315	31133	29824	29902	54705	40310	56154	48515	48077	47802	44933	37018	61123	67767	50320	59180	63591	52147	41874	41778	42998	63301	48424	50941	35884	37008	53706	46202	38060	39819	42894	41721	31149	33913	42446	41455	38510	39272	42989	50673	11851	13170	10757	13064	12058	13482	14279	13793	10953	12220	19166	15007	14005	12896	13351	14135	14824	14392	17798	16568	15350	18174	10676	13634	18396	13776	14369	17761	17203	13383	10920	12928	12294	12181	7869	9605	12876	15147	12252	13088	11801	14561	14090	11096	16426	12699	15854	14700	10554	11703	9913	12473	8217	8712	10637	7922	1	7897	14369	14691	9375	6704	11577	12780	9529	10350	11076	11740	9276	9861	13465	10754	16186	17075	9967	8683	12763	12838	17674	14938	8774	11950	13153	14317	12502	7311	10951	13896	8629	1	15777	11187	14170	12598	12782	12599
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C16 H27 O20 S nullnullnull 11.401 :7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81923	58080	162478	90938	74406	53900	141636	74764	61591	54939	90949	70940	76599	43675	33944	29997	20690	46035	44605	54789	26390	26494	1	1	47090	24991	27241	26283	30906	28354	59369	32200	18825	11615	45167	40205	15164	31639	35445	24689	14550	23891	34749	17548	21963	19553	36985	46973	20940	14534	20966	30850	16802	29604	1	30565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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384.1525@9.407996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12467	12789	15960	13394	14183	12678	10970	13566	11273	11343	12272	11463	16836	16102	20451	20443	20556	19385	19602	18392	21192	19860	29280	28333	30082	31290	19154	16862	20421	19981	20559	20703	16578	19105	14704	17824	27143	23830	31439	28466	17971	18726	32113	25773	20116	19258	24438	18386	17720	16617	19230	19009	20504	21001	367856	26237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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887.9244@0.8869997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9276	7359	18722	16905	1	1	1	1	1	1	21242	24312	1	1	1	1	7122	6515	1	1	16277	14648	16179	14519	6694	1	25450	30204	20653	19223	20973	20246	1	1	23301	22773	20924	19310	1	6873	13091	17892	1	8675	9509	8980	1	1	1	1	1	1	1	7636	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid nullnullnull 2.4449708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45408	25364	44389	34319	191110	180950	51160	45864	36785	48220	1	22730	130465	116594	40619	1	40910	1	37388	61981	52174	96453	75985	70579	124062	128613	30099	32237	271479	479917	278676	294924	108560	79774	1	78938	296612	283076	104600	187409	56801	84453	265724	156499	98056	74933	112696	109215	37857	43332	66864	51619	108154	78946	95162	89446	35355	37852	42223	42668	1	34245	88717	28256	19589	24540	1	45090	51358	1	33925	51093	53444	40085	75902	74831	54113	49567	1	51972	114802	115465	51591	37828	108951	101026	1	1	37014	46116	46844	50910	1	18980	80141	66898	54427	68806	32565	49934	87862	95746	38096	42660	53972	62281	23398	23659	43631	48861	139193	140328	45339	47279	146344	145947	126258	39650	81181	105620	35204	35959	150121	151359	29481	29670	125632	123421	216105	208292	95119	90665	115258	111650	213237	229641	35604	32565	186357	173867	26306	30486	114760	112331	47722	52991	103979	110495	192806	205081	129481	139022
273.1001@4.615404	24660	24087	27144	26476	10824	11262	21037	20529	23229	18271	14880	14615	22162	21673	14344	13255	24274	21036	17746	19733	9987	10378	28434	27425	12195	11226	15394	16755	15919	18459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8409	10125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19841	16478	16406	14299	29321	22208	1	1	1	1	9098	1	1	1	1	1	17174	16214	29367	29748	13166	13171	31219	27614	21384	21922	17695	22561	1	1	19636	21530	20186	19686	17653	15704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.7378@0.86547244	30374	31994	34758	43413	27987	32856	40289	33031	37651	36137	36499	34999	31739	25699	26673	28049	39170	39196	32983	39349	23673	26724	34667	41440	32886	35261	32235	26576	39293	36828	31019	31166	32835	37521	35641	33514	33599	35099	34010	35669	38013	36597	27875	28800	25610	31006	29029	30941	33269	31650	17697	13950	30950	30865	35361	33713	41212	37837	22180	23388	22038	22843	30672	26692	25960	29546	27271	27714	21338	21239	34959	29093	16994	12595	23592	19023	22139	33763	28460	25071	30174	33612	29400	27276	24924	22442	28086	30096	25749	28242	27891	27634	15193	13405	27752	27279	22368	26040	25401	20551	28720	22940	26172	20183	25909	22887	29595	24592	22542	24315	22679	24205	25847	24308	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1485.725@0.979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12500	10474	1	1	1	1	1	1	24962	26557	1	5883	6282	9387	1	1	1	1	15730	17719	14490	13021	1	1	26252	23984	22074	21833	21019	19532	1	1	19514	18871	18126	17156	7004	8109	9410	10544	1	6809	1	1	7744	6849	6323	5589	6554	5475	1	5753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H2 Cl2 N4 O2 S	370254	362805	372999	376136	407160	415460	346778	339101	387601	388579	387243	397586	397176	385937	350648	357071	366765	376620	370218	370192	363735	369081	319638	321644	368395	373826	356995	370699	330862	341816	458379	439023	455874	445442	474230	436171	456179	453193	444695	438812	432895	471800	426685	467691	417048	416115	425446	439391	421938	430065	346600	314770	454952	435594	504028	448001	449981	476550	325488	330246	344268	355234	246247	250051	398274	402370	399714	411627	388623	377916	157730	160832	10015	263918	362062	376077	410844	464299	394886	401324	217626	204823	248113	246774	374100	358707	104557	104106	152703	146710	153383	144298	9457	203857	154776	152704	188586	191083	341068	345810	224933	10021	12345	310405	318328	317447	375311	387461	302839	307781	345056	342699	363733	348782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
838.8196@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17948	19543	22699	21774	15449	15425	18750	16237	22972	21594	25994	18838	19698	11827	27739	29743	29685	30263	22692	8625	1	1	11530	11451	14322	16011	20602	22187	19128	20990	19348	20186	21720	19114	16653	20213	27014	24713	25151	19027	36014	33068	22454	25237	33797	29148	30522	28424	32444	29972	28956	30017	29873	30752	36559	29693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
650.8495@0.8589008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33754	33859	35191	33693	29801	33611	34611	35623	35666	36887	29624	30150	25277	26716	28961	24880	33665	33395	36904	28154	26398	26309	28277	26884	30613	30602	24079	31276	26798	29262	27139	31377	29048	37402	23224	22001	30955	34194	34215	35646	39028	31923	34663	35799	37455	35238	37280	37463	28752	25542	34351	34925	34676	39295	48343	41732	1	1	1	1	11101	12496	10788	12195	1	1	10782	10125	11282	11253	10344	14481	1	1	13769	11713	11980	10599	13444	11056	14236	10038	11966	20127	12438	10162	10158	9799	1	10891	1	1	10644	10062	9361	1	11671	10253	1	1	13089	13754	14456	13026	1	8175	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16688	14098	1	1	8028	1	15660	10946	1	1	10140	8211	1	1	1	1	1	1	7943	1	9731	12234	1	1
953.2805@10.835003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11991	1	1	1	1	1	1	1	9386	1	1	1	1	1	1	1	1	1	28933	15976	12444	8092	1	1	13543	10224	15205	14851	15048	12494	1	1	18681	12537	11690	14195	1	1	11950	9950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H10 N4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24429	24714	15266	15350	27835	28024	18463	19998	19614	19800	10574	11312	28873	52067	11430	10259	24698	23169	30370	29910	17076	16871	20505	10081	27156	25894	11371	10327	31894	37274	40213	31512	30541	31846	1	1	45127	34405	52086	30592	20735	21214	30038	31226	13230	14445	19709	19161	22803	26501	17134	15981	21970	20465	45972	28756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H9 O7	23577	23985	32343	29248	20665	19874	27943	30684	27468	24959	20150	20856	20665	16926	11336	12767	31902	28845	19754	20724	24575	33466	29153	32397	40653	38969	42334	37696	48361	58712	10248	10399	16390	17399	32045	37390	19659	17173	14703	15756	20790	20536	21354	17552	10899	10932	24952	25871	8410	10545	11450	10755	54091	55436	13972	13884	46225	41330	1	1	1	1	11774	13519	1	1	1	1	1	1	15429	14986	1	1	1	1	1	1	1	1	1	8112	9091	1	1	1	18769	17185	15159	15564	14677	12698	1	1	27049	27379	19495	23694	1	1	28839	25672	1	1	1	7475	10104	8914	1	1	9208	9471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9400	7427	1	1	1	1	1	1	1	1	8039	1	1	1	1	1	1	1	7292	1	1	1	1	1	1	1	1	1	1	1	14309	12198	20074	19174	16219	15132	12576	11122	16322	17738	11278	11175	43543	42518	26922	28441	25440	24447	8931	10065	42857	46387	11675	13259	17321	15996	32248	31890	15656	15131	18427	16800	14262	14204	16695	16899	26430	28084	10720	9816	19883	20694	51741	48863	14517	12040
261.0747@1.0650003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6931	7849	1	1	1	1	1	1	15001	16574	1	1	1	1	1	1	1	1	16082	14647	10581	13034	1	1	10646	11379	17926	18967	23911	24857	1	1	29675	23241	19589	22106	1	1	12755	12178	1	1	7566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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224.1032@4.4973917	39697	31620	11913	25229	9441	10401	7392	24660	21120	20805	25320	13372	24562	33445	32556	51436	18630	17374	21556	16776	18059	15488	24738	27108	1	1	7548	7813	1	26744	1	115376	1	17951	1	1	9246	1	29404	11982	15322	15471	1	1	1	8883	16546	9386	1	1	1	1	22439	22462	1	1	11289	23095	1	1	29236	7474	1	1	9721	1	1	1	21735	10271	23205	16930	1	14781	1	55731	1	50207	40376	7107	16892	13557	22215	14387	17857	16510	24013	27497	7063	38429	8280	16956	15309	17176	5298	43871	14710	12868	6429	6717	9963	12152	27556	27891	6269	37507	1	1	5324	62511	26611	18219	28693	7189	43521	11895	1	20683	34574	42199	17095	12265	30860	16500	23117	32835	8331	9845	1	9543	17890	31094	17720	16288	19189	11181	17042	12214	22146	26974	10885	15193	19657	27714	33044	28240	17954	60286	10642	15299	24735	22419	27194	23840	23494	21333	12999	9446	30220	32044	16544	32081	29008	6768	1	1	1	1	65420	13741	13046	18412	20109	26821	1	1	47424	40868	1	1	1	1	1	1	19538	20006	37523	33808	13786	12891	22870	7227	10125	1	12431	15254	10772	11365	1	1	12830	20477	9133	10281	1	1	1	1	34381	18497
405.1604@1.2436663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10451	9832	1	1	1	1	1	1	21079	18876	1	1	1	1	1	1	1	1	9407	8907	10594	10431	1	1	24638	25658	12281	13373	16435	15480	1	1	16798	15296	13668	16639	1	1	13361	11554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6425	5768	1	1	1	1	1	1	6419	6291	1	1	6190	1	1	1	6245	6901	6981	7470	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8805	6941	1	1	10170	11352	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
121.0469@1.2910001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18447	7491	15876	1	1	28527	1	11286	1	1	1	1	19369	11917	178199	55600	1	27451	45352	1	1	1	1	217948	1	1	1	1	29525	1	71886	1	1	90071	70777	1	1	1	44726	1	1	1	1	1	1	1	1	185629	1	1	23103	1	1	18011	227812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Methyl jasmonate nullnullnull 8.693736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28811	34625	55420	48980	18161	9330	52650	55262	1	20591	28946	32682	23368	24260	87887	82435	55409	34633	59359	50656	75454	75948	51465	36219	45755	37235	34900	37947	18591	23330	87804	21061	14501	22727	62394	59136	29774	36180	28414	38800	61048	79768	40990	24463	62730	33847	60548	58548	9745	28748	102956	84707	44455	72123	200980	54584	65790	63761	87203	88521	141625	149650	55664	59295	44972	48037	35326	43637	42568	47049	57755	58413	43911	44858	58506	55020	61743	63112	62944	63654	20800	24790	19534	19158	20764	22736	49773	49223	42956	42186	20316	24324	63150	53596	34506	34569	250752	262902	49310	38201	100946	115311	33332	36277	50708	53445	22568	31073	31144	28857	88468	76787	69866	67558	49583	39558	61181	63372	148276	141109	23654	20591	11715	15945	25875	28301	57093	41407	80070	83463	57019	61134	22756	31000	31040	18687	43306	44217	41846	40786	21957	29968	62236	33319	48021	41367	24972	21773	27601	25782	31755	36536
563.7048@0.85759	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18729	20240	20825	20961	19929	25281	21385	20370	20474	23413	20025	19961	18943	21797	14152	15542	17838	17491	19775	19766	21449	23401	23329	20830	22086	21859	15388	18485	19080	20879	22078	20197	21053	15097	13422	16174	21843	20819	20479	23154	22689	21050	24801	21060	21832	19865	22860	21165	14255	14448	19973	24388	20985	23823	24239	21969	12817	12223	10003	11235	10726	7692	11560	9131	9468	8976	12631	8844	11623	12168	12155	8483	11251	13834	13495	13164	13087	11442	10708	13626	10175	10977	9421	12697	7181	12310	11013	11791	13788	9559	10757	12021	13173	7271	8502	7773	7797	7421	9352	9601	9980	9236	10622	12738	9204	12784	6193	1	6674	1	7014	1	6404	6783	5923	7050	1	1	8713	9739	1	6515	6359	7827	6404	6151	7472	1	7933	7912	6317	6397	6630	6092	7279	6256	1	6680	7840	8321	5998	1	7935	1	8487	8368	1	6592	6125	6791	6765	8079
224.0359@6.7909784	15223	16840	11449	11159	9320	9805	10370	10296	8871	7237	9154	9707	9456	11987	11525	12928	10735	11698	9832	10129	9289	10106	7221	9109	9421	9599	8370	10775	9228	9983	12560	12956	12896	13745	10442	12562	11249	11342	12010	14186	10552	12041	9874	11600	10242	13040	12156	13482	11829	11632	1	1	15014	13929	7962	10558	10224	9991	7361	8186	10116	13429	1	1	9040	10438	7352	7805	6739	8205	1	1	15529	13988	16143	16869	16322	17492	13360	13762	17255	16381	13864	15580	11630	13215	10387	11129	10452	12544	9895	11760	1	1	14724	12738	12753	12961	12543	15742	16055	16629	12494	15404	14154	14429	13585	14876	14334	17242	12127	11131	24132	15347	11680	12364	11061	11823	14736	12923	8227	9136	10124	12078	11923	9914	15478	14878	9443	11166	14337	11107	13124	12571	12321	12339	12887	11729	12966	10568	12632	13190	10674	10754	11336	11282	8877	12995	11956	11511	9716	16898	10947	10204	13220	16875	12279	12845	11353	13852	7653	13601	11903	13541	10349	10463	9625	1	9111	7716	1	1	11062	9290	1	7981	10421	8329	10120	8903	9863	9647	9904	8954	10035	10380	10664	10858	7215	9509	8521	8697	1	8023	9751	8353	7224	8587	7327	7929	8361	10714	8332	10170	1	9458	8927	8551	1	1
336.068@2.5244148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	749071	70150	1	1	1	1	1	1	1	1	143147	486995	497360	955195	921250	194941	195242	429304	441887	1	211804	218620	218619	1	55845	534223	551666	394606	389759	1	258438	177394	174866	63756	61909	152644	156079	107035	107979	87497	85444	104270	98734	64027	62246	79156	73963	151182	153485	110777	108491	213828	215313	160908	155840	112970	111750	92896	99826	111666	111508	170943	171229	57875	57634	85768	84669	64892	64908	118813	122293	197250	198756	84852	42866	198888	194957	83442	84110	109704	109666	21949	20332	38182	33145	62363	66566	49431	45770	136242	138263	39970	42407	102262	97019	32469	25742	73781	80490	25061	26843	139873	144826	252965	247535	58559	61013	143431	134859	197753	202277	38367	33817	157282	154124	23334	21035	161100	155250	71890	73031	132712	135500	174030	173850	176060	176772
284.0342@0.90699977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7871	1	1	1	1	1	1	9973	11112	1	1	1	1	1	1	1	1	1	1	8373	9752	1	1	8058	11788	8144	8548	8890	8823	1	1	9689	14993	14251	14567	1	1	12819	7866	1	1	1	1	1	1	6664	1	1	1	19356	10108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.1945@9.919003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17728	1	1	1	1	1	1	1	1	1	26151	46526	30263	7587	1	21372	19035	17133	17451	17336	19491	1	1	23379	24546	27249	29750	1	1	28426	14219	10052	1	16607	11735	1	1	1	1	23649	17532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.8506@0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78436	78900	80266	78227	99051	92184	70555	71068	77097	79755	67144	54685	77897	79474	42595	38685	56312	51549	67832	76860	90264	94055	77730	70201	83453	78203	59930	55226	55859	46877	57761	64597	62392	81358	37837	49218	72829	76021	80113	84554	64447	63511	82528	75487	80206	80045	73404	72370	48243	42818	77419	75664	70955	62211	80304	84117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isobenzan	30695	34028	30292	26894	32715	31994	33083	26660	34241	31748	33963	32283	35209	33282	18410	24567	31042	33206	29720	24773	25080	30734	26944	28270	32514	27622	32880	30328	30664	29990	32580	30752	31157	38621	33913	37483	31543	35050	37572	30740	27764	34587	29260	34952	25802	28566	28526	27943	25191	27183	13120	16172	29496	33294	36470	33129	34182	30058	28385	23299	25474	27480	21140	21008	27873	22118	38664	30453	34577	26386	27783	27746	17002	13188	28608	20404	26353	35744	29226	31011	22118	23134	29256	23180	26263	27194	21845	20999	25342	19078	17237	22616	16345	15570	26591	25094	20093	23011	26244	20104	17242	20702	29758	18142	28168	22700	28434	26566	18022	23055	22170	25290	24111	25038	18813	23215	23807	21076	15831	16983	23022	19966	22366	20205	22187	22171	21658	20231	19596	22867	22629	20328	24882	23642	25249	20311	23934	25077	24172	24940	20850	24021	21454	24491	25636	24146	23199	21566	24275	27625	21977	30284	22169	22165	13495	15874	19287	19316	16867	15597	23540	22663	22869	26469	8913	8125	9976	9867	10205	7982	17587	16325	10862	11141	10456	10730	15387	16627	11007	11422	8621	10258	11796	12357	8977	9146	9424	10709	9240	13213	9209	10262	8021	10552	11910	11322	10188	8846	12260	12688	8310	10880	18989	19379	11991	11288	9540	9099	12207	11304
664.6163@0.8663698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30030	33296	33108	35760	31140	27818	38967	37393	38249	41171	39310	35644	24948	21738	25296	24475	42969	44602	40200	40919	37274	38390	22904	23447	20287	31416	37039	36758	23520	17770	17771	21910	24647	19948	18196	19910	24271	21992	25191	26959	43999	33679	27802	30911	36402	32278	34222	32272	40311	40129	30723	35329	41788	33337	36151	42680	16928	15486	18857	17989	15123	14283	20322	21802	12631	8726	16820	20903	18856	18654	20206	19371	18528	19509	19268	16907	16150	20261	18210	20670	19089	22036	18585	23877	15955	17320	19470	16248	15885	16729	15620	15437	21178	20446	16180	13871	12377	14143	9618	12251	17936	20125	16578	19517	15684	11867	6564	6847	8908	8170	8170	7695	8289	6534	10626	9296	9747	7448	13080	13858	8434	8476	8973	9490	1	5701	14764	12769	12808	12843	8925	10437	12865	10338	13267	14634	9425	7769	12612	12937	6498	8804	11415	12078	10695	8709	11833	11979	13437	12213	14140	11092
672.8396@0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162524	162118	178697	172633	136142	137120	170114	168427	175389	169306	155331	154148	85932	84045	334532	333376	273686	271673	192211	72658	56528	70643	65623	78857	100489	110589	146097	161555	81201	80707	113672	119988	120350	125283	273868	272777	155612	155752	203683	193047	306179	310143	239996	236119	305498	300671	304686	292152	246389	236740	302244	297444	289834	289454	422915	325733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Leucine nullnullnull 1.770858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25286	1	1	1	1	1	1	1	1	1	18269	33844	1	23550	1	1	38763	43318	65562	57821	30110	50982	1	1	14699	80044	67866	61293	42084	44947	78720	28303	144461	147267	80994	76574	47718	49967	117750	110489	42028	44327	72800	63167	22165	26541	47846	48441	47372	50721	114182	100558	1	14708	16901	18780	16141	16757	65366	68350	12887	14623	15942	18149	28503	31794	15465	15439	18372	19601	20464	23156	22129	23155	20731	21384	51503	49759	18357	18529	56045	56132	15805	1	21047	21210	19200	17099	15078	20369	22149	18266	17607	16468	14407	15389	22507	24605	15293	16846	27507	5795	132690	140716	179869	175544	114691	118195	130977	116648	477499	490777	197596	193274	221013	223516	121888	123901	253707	259459	87067	98405	323523	340649	602231	581479	193374	186615	356919	380259	531670	1	101933	108798	458361	463329	147227	130469	293278	261484	1	1	303368	344364	420455	419891	379562	374249
THTA	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9364	7104	49715	51169	12337	10911	11475	9206	8861	9104	1	1	17427	20235	12635	12156	9992	9327	18271	16913	9920	8895	15161	17735	21214	20748	8598	8122	17463	15666	14320	19342	26400	23206	8300	1	16950	24808	22483	23368	7026	9669	20836	20518	10297	12654	9920	11098	11106	9360	13547	12726	11867	9759	9095	10561	19179	20673	9710	8417	24877	25494	15635	18394	10228	12785	17495	19475	12486	11994	21710	22066	16470	16688	27137	30239	22184	20013	22598	21142	18942	20728	20084	21094	24946	27410	20769	16094	13084	10936	8131	8695	14839	16231	10873	10663	22030	20211	11627	10744	26598	25137	27608	29505	16576	15267	26213	23916	30617	28895	15679	15717	12594	14168	18907	19313	22630	20950	17570	15406	14630	14372	18955	25331	17313	12311	16510	15491	20800	23334	13005	19454	17759	15510	20211	17255	26150	24359	15700	16513	17079	15637	17916	17040	15856	13956	17912	15500	15464	15143	22520	16823
C18 H3 N3 O21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26849	27067	23243	25022	39541	37113	17943	19933	18746	19215	13932	13392	40424	41602	18774	18155	18235	17127	19781	14000	18804	21168	31492	28603	34218	34069	12944	13230	35612	37450	40598	36412	45060	42008	19909	20601	54823	47322	47190	49519	19551	21441	44091	42954	30317	28556	27985	29965	11175	11314	26030	26389	27104	23082	35601	34506	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
895.7548@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24160	26961	30533	32089	29571	21815	35801	32983	38376	37864	26780	28377	22070	22213	19755	19463	32011	24428	33783	21064	22775	21727	20155	24263	26505	28452	21643	21161	20944	24106	24239	23654	24855	18655	23069	19025	21030	27926	35755	24627	26573	27314	37275	32075	31327	29274	32775	35719	16959	21501	28364	31981	28248	29060	31667	31627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate nullnullnull 4.1657243	38338	15504	238286	67079	50648	142096	47423	37721	239993	94073	127848	16958	460714	102995	1	1	17316	15330	16231	114739	82918	91699	23970	40017	157279	174295	127208	12153	113699	118699	1	178539	42927	19979	95946	85116	105875	103220	40924	48358	15778	1	28156	37555	18498	121749	47478	29064	84419	40398	75668	146209	55649	55487	90929	13256	266833	104804	32081	20461	23942	27874	65023	71940	21076	26880	52040	17070	38224	58027	64809	57749	19362	57212	32460	31373	25914	38774	25483	53535	53899	47497	34234	41929	28586	45972	93221	103430	105788	79660	79571	54784	43945	30184	106571	96762	47446	39926	22718	45407	85342	110945	18989	34241	62431	64252	30925	28991	61019	48021	20682	17382	45779	37888	209056	117781	52914	133241	16453	52215	23794	81900	77345	9682	261637	58319	129548	39303	191369	38893	71608	59446	199478	38447	32554	103258	7925	53732	11699	108624	70436	78380	57675	55409	84548	45533	106188	62633	28486	11001	69712	69302	14332	129036	17529	54360	105135	166269	75000	67072	77045	87704	80868	28874	186941	206649	9446	168082	197061	98009	78174	56829	89712	29838	24230	29543	56224	104104	76969	113377	103369	104287	92924	127954	69823	170990	88753	54802	185942	164057	116011	54384	53031	49030	93709	145125	28321	88814	51500	51856	97325	18208	61877	102501	91203	98617	217593	26817	26875	58388
315.0488@0.9319998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11770	11067	1	1	11495	1	1	1	12099	1	1	1	11342	10808	14604	13046	1	1	1	7835	1	1	1	1	27713	22630	1	1	1	1	1	1	21631	20298	12873	1	10773	10571	16270	13936	1	1	12650	12662	14785	14067	1	1	10898	10486	16408	16034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
468.866@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34861	34707	25264	25006	31204	30070	35996	37101	30822	35884	19091	26396	31623	28705	23018	23749	27610	33867	35499	36753	25992	26169	13414	16006	24967	28373	19903	25466	25092	25233	20324	25799	24298	25343	14417	16248	24369	28431	31830	33048	31446	30872	28654	26673	28635	23045	26917	26519	23437	26858	21781	25291	31939	28175	33240	31599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1125.7161@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29154	32084	33759	31790	30400	23660	36886	34014	28602	36468	27928	27988	21430	21818	31237	28766	32265	34896	31942	14493	13085	13635	11802	16972	21032	24913	26583	23306	23428	21848	26629	23806	27736	28299	32203	30842	36481	33333	34745	34108	38513	39596	39399	40733	39292	46837	41177	40440	28688	25942	40182	41932	38422	37478	43378	39563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
769.6284@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26414	24146	21179	26636	27342	36840	20776	17543	23709	24246	14589	22834	39798	30714	9483	11469	18745	21552	21861	29754	28926	29456	30150	27497	36437	34188	19567	14665	33735	28136	28543	29302	27868	27201	17918	13380	28354	26646	24735	26697	19299	17328	30485	28216	21562	17134	20796	20641	15875	19734	17853	17164	23504	15046	26765	24905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Taurocholic acid nullnullnull 7.2426887	20349	18055	28447	21380	1	1	36173	23316	60313	58560	11117	10144	30796	31401	25240	24534	25428	41270	33404	31868	17538	19012	40412	44323	16123	19109	61869	60886	90431	94057	51943	54627	55709	37035	109921	64072	127081	234919	283432	281670	88853	87286	58667	94237	91434	89418	121803	118842	16114	17588	15495	16466	169248	166175	10537	10261	54324	55412	22051	24361	32631	32869	40689	41726	20268	20164	15877	15096	16378	16898	109029	112852	16353	15343	1	1	18293	18448	18607	20638	33397	31397	46589	47443	31944	32287	63638	13065	110522	109926	76422	78676	1	1	78335	81473	140015	139682	23832	24446	207645	211358	28484	28187	12614	13339	9169	7735	25481	37414	20849	19368	36013	21029	1	1	1	1	1	1	1	1	1	1	13142	11250	11498	13722	42723	44002	1	1	1	1	20393	20058	23274	20541	1	1	17583	16495	30126	32906	24379	25058	13185	11430	63488	60244	38072	41696	16222	17078	11110	1	40090	43298	1	1	1	1	63992	63373	88217	84683	77841	81852	1	1	40813	39986	54553	49452	64163	72043	16192	16477	73112	11030	76900	71183	76228	14036	147536	142341	46451	48025	56600	60525	103319	106385	19858	20725	19557	18768	25757	28543	52528	50805	191987	195769	1	1	97314	96335	298279	304002	82833	84131
693.3324@5.6405244	7459	1	1	1	1	1	1	9222	1	1	7381	1	1	1	1	1	1	1	1	1	1	1	1	1	10615	7202	1	9877	1	13959	1	9159	9500	9375	13071	8366	1	8164	1	7261	6111	9865	1	1	11154	7815	1	1	8709	8787	14077	15395	9062	13988	9252	1	11745	7552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28781	21681	21032	21949	20586	21520	20151	19057	15565	19542	18949	18753	18354	17288	17454	14794	17999	17786	17136	19557	20311	17835	12240	16274	14420	15062	17745	15858	16509	14440	16182	14881	15191	15665	16669	17481	17007	14751	15480	13900	98479	16811	8670	8792	9693	8108	7422	8662	8144	9123	10205	8146	9129	7265	8627	8313	9126	8519	8196	8291	1	1	7276	1	8354	1	1	1	1	7341	1	1	7333	1	1	1	9328	7651	8113	8303	8221	1	1	1	8696	1	1	7276	7253	1	7432	7645	22209	25187	24922	25200	21248	21991	21730	20341	15723	15828	18984	20989	23263	23821	21727	15082	15454	13320	14370	13841	13744	11687	14333	12906	12957	12130	13067	11822	14246	12524	14436	11265	11869	13096	13107	12086	10799	11344	11913	11630	11571	12350	11628	13366	9670	10719
650.6442@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23561	29310	25131	29593	24577	24383	30096	29550	31739	34520	33798	25631	21576	26111	24428	22319	33130	36650	30244	32839	27916	26805	23517	19520	24110	27201	28366	29567	22069	17142	27572	26242	24081	21478	14730	17064	22771	20959	26643	26998	34891	32537	30489	21132	32168	24039	30434	31546	39450	38864	34169	30615	33992	30033	32564	29703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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702.1972@1.0320001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13354	12390	11759	11572	10932	10728	1	1	1	10295	1	1	17383	17651	1	1	1	1	1	1	9976	12011	1	1	14521	14133	10538	9985	27875	28787	26420	26928	11593	11509	1	1	18370	16308	23256	22907	15672	16920	28076	25125	11485	10847	14194	12065	1	1	20062	20270	19207	19047	25000	18773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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cis-Zeatin riboside monophosphate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12104	10207	12090	10863	24121	24563	10235	9709	9266	9715	1	1	25805	26911	1	1	7928	6482	10590	9762	14799	13731	20223	22531	22104	20352	1	6585	27011	26935	22957	22367	22755	21158	6985	9786	28402	28741	25126	24471	8553	10997	24373	24482	13930	14271	15033	15232	1	1	13468	13719	16503	13251	21565	16492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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1125.0636@1.2040002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16803	19388	1	1	1	1	1	1	1	6227	1	1	1	1	1	1	1	1	11700	10973	1	8980	1	1	13848	13085	28349	11311	10564	9593	1	1	12733	25386	15250	7425	1	1	15998	14241	1	1	1	1	1	1	10877	1	1	1	12142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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3,5-Dinitroguaiacol nullnullnull 6.898002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61973	78540	76941	62386	42629	60401	58101	51945	54555	61490	68315	65579	66965	70487	63746	162824	108750	188942	208142	128907	125439	129506	151198	127494	138566	121608	102200	141944	110423	116483	132800	125496	122755	133381	136140	139459	129277	119451	111534	197994	138903	154757	122963	63000	105854	96389	271719	129308	130704	151717	132290	191531	149474	128305	150514	304114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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529.6625@0.8643894	29003	29714	32645	34323	41952	34125	28245	24127	31448	27165	37272	32302	35146	32530	25554	29726	32292	26356	31805	30851	36512	36212	25793	24056	30589	31862	33733	31250	32157	28950	72136	67150	65873	63489	65732	72078	68677	73798	60640	59035	65174	67881	68255	66532	68070	71537	65880	60050	79186	76618	28092	32857	57107	56908	81090	83723	56642	61220	27738	26293	28964	26852	22968	22427	39418	39439	36990	38159	41481	43285	17221	20134	26616	22421	45238	44642	32419	33709	23579	27429	18403	20590	23334	21620	36861	36260	13573	14023	16041	17746	14745	15230	12906	14384	14507	14605	16038	23530	37812	39017	21783	19671	27332	30013	29038	29753	52532	51085	26890	28295	33040	31251	29976	33537	27798	31391	31965	33827	19500	17073	30272	29989	40999	39738	31991	28661	31045	31011	29345	29967	31912	30326	25496	31310	27877	29898	32749	31479	33024	31337	27899	29816	29852	33107	32653	36234	31335	30616	36499	38628	30510	30782	36633	36724	16447	15405	37277	39584	13238	14805	27157	32463	36066	37949	18548	18648	19018	19739	15540	14663	29302	32560	12852	12933	17974	18249	24968	25187	22817	21574	16447	15469	20169	22635	11614	11400	10003	10443	19288	21902	11747	10230	12538	11327	19865	19410	13272	10479	21225	18429	13402	11241	30047	33062	13475	13546	10538	10746	13716	11877
> limit nullnullnull 0.87199974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23602	23806	23274	20771	24501	26536	21844	22973	26477	19245	20304	18363	17872	20547	11180	8417	16057	17672	22070	29946	29332	25425	31090	25811	25537	24162	19255	19854	13825	25588	23288	18890	13926	22974	14508	13625	19647	19836	19991	24017	19259	20159	15415	20251	19177	17566	18983	20200	16461	17226	18038	16668	15111	19474	23440	24986	7334	1	7940	1	1	7395	8707	1	1	1	8884	9770	9873	10220	6590	7311	8578	8551	7673	1	1	1	8482	8477	1	8468	7133	6795	7941	1	1	1	1	8069	1	1	7339	11501	1	1	1	1	1	1	9656	8498	8902	7536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6619	1	1	1	1	1	1	7690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
401.0102@4.4049993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21150	24316	27413	26376	14274	13100	14153	14755	16530	14464	12736	11287	9845	11918	1	1	8896	10732	8153	8284	16595	15897	8360	8394	7777	8570	10291	9317	7178	7272	9032	9127	10183	9590	1	1	9575	10755	10769	10332	14813	14001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.0173@0.90000033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17464	11288	16345	14579	28179	24212	7736	7670	10280	10343	11696	8271	21000	21434	1	8573	14866	13075	10357	10934	20068	15584	23244	23393	27563	24340	18050	14675	34549	29465	23386	34811	26594	19337	9938	11440	24125	20775	20958	21226	30013	19597	24812	22547	17462	12229	20957	15742	9002	8966	24563	19392	16874	14878	17761	26764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H7 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12773	8903	13233	14634	21085	21967	6148	1	10511	11265	20984	21032	34817	31995	1	1	9157	7831	1	1	1	1	28847	24331	19583	25834	16904	18499	28381	26515	26466	22196	27362	23908	7828	1	21036	18775	24369	25850	9072	5718	13899	16329	6311	5905	11499	10713	15223	15204	10867	11045	11905	11641	14984	15281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
856.9242@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12421	16522	16015	15053	17810	19388	12610	13862	13672	14226	19156	20706	18771	17579	13950	15284	18274	21316	12603	7340	8054	1	11145	13918	17617	15264	17034	20623	23023	19187	18526	18088	18024	19819	13878	15359	22422	21601	25613	26679	20634	21145	19798	23890	20973	22159	23595	23194	29348	28741	23214	19425	23969	22287	26981	26265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
tridecanal nullnullnull 11.237354	298741	186164	400066	280956	184995	415065	155601	391231	444449	181146	112563	397798	158896	186718	162175	178473	352836	106692	315355	319486	304559	178252	396819	270576	118875	1	468076	170162	460558	139257	529434	433817	159686	304155	153719	478219	430475	184548	445558	525181	319301	411538	224917	394012	411597	221865	459186	195093	196785	544192	521463	146054	28758	536570	189269	493797	221726	500118	104124	242230	1	212252	58983	86418	254352	119912	286747	190768	79015	72995	121627	52195	146878	361192	341915	321511	300976	337868	386918	335836	247310	152484	329916	309704	154835	332153	340819	89866	160576	126887	131688	336457	254256	191858	180458	166908	113879	202955	37637	170985	62760	176668	161604	249201	165246	395349	419847	402251	82684	196785	171028	92099	4913004	154360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
464.825@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14291	15506	15130	14307	19587	18448	16321	10136	16414	13295	14424	15084	26078	21539	7751	1	10786	9529	10200	11548	12577	11206	19270	17446	14626	14777	16457	15481	23428	23289	20621	18171	17507	21651	11597	7733	22030	16382	20466	21833	11599	10025	20555	16543	14259	9638	10958	11334	13049	11053	11643	7406	8345	9047	12646	14684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
581.5701@0.86637884	22372	26460	26834	30665	26224	32217	29687	26530	27439	28218	34474	28486	30754	31366	27376	26357	27563	23103	25979	30771	28730	24457	22160	25588	26401	32424	29539	27301	22398	26658	31305	28821	35224	32789	30598	33170	28323	37294	30858	33676	25926	32092	32621	35977	26354	28762	27954	33745	21437	25020	18401	17358	34514	44568	31575	25581	31283	30467	18128	20264	23685	23535	20114	17626	25383	26478	27158	27085	25321	29723	16566	15117	18882	15063	27931	27256	25815	18926	21370	19721	16526	17935	18525	20125	26864	28145	13135	15999	18061	19441	18217	20370	16655	14196	15933	18236	17275	16576	21304	21297	16735	22401	22046	19851	19109	21091	29357	28608	20451	17605	20818	24830	19643	25292	13855	13704	16688	15401	10792	9851	15770	15056	14834	12398	14487	16711	14178	14166	13579	13744	14469	14328	15131	14452	14414	13382	15135	14805	14368	15431	14741	16488	13565	13928	10883	13413	13873	14500	13563	14904	14598	17825	12574	15246	9162	8820	11716	12184	8543	8721	13945	14198	13511	13849	8339	8029	8152	9003	7900	7632	10868	11410	9664	8068	9467	9751	14707	15262	10358	9998	11179	9851	9350	7381	12030	10738	9201	8069	9066	10026	10233	10358	10659	9805	8339	10785	8937	9481	8477	10583	10640	9802	14149	14579	11133	8648	11361	10979	9266	10294
651.5092@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6423	7201	8290	11023	7018	11910	9792	8996	8836	8924	9466	9942	8910	11306	10377	7653	8231	12150	9538	6684	6406	8021	7000	6986	10350	9099	9548	10325	16408	13393	7914	11091	9513	10678	8187	7415	11591	13797	11212	10164	10503	13353	9000	13150	11423	12113	14919	12020	10943	13910	13706	10761	9774	10468	12001	12324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
961.6179@0.8709995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40596	38485	26654	34112	34584	42412	36703	37008	36372	35282	27037	25264	39193	43474	18771	18316	33606	36257	38566	39893	30443	30179	25551	24195	37530	31148	28498	25097	35952	40543	35720	30827	29994	33562	12807	12391	29585	28392	37409	35135	30605	34546	35455	33866	33435	32500	30128	32287	39888	39381	29387	22575	32235	39103	39796	44050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.1387@8.746959	36869	27446	12493	15220	15605	13635	11688	10099	14884	1	17752	19602	26574	27607	32690	35292	30622	24496	1	23804	14059	16777	15048	15585	9903	11019	8725	18775	10421	1	1	1	13094	17759	19955	1	11016	25908	28077	13424	31099	18811	1	14533	1	6299	17296	25862	1	1	9469	9347	22872	16827	1	1	1	17225	8060	10649	23149	21365	1	1	20608	20421	1	1	9741	9660	15429	15918	14003	16246	13344	15625	16934	18031	37359	45861	42061	40842	38717	41523	22760	22467	11059	12185	15700	17779	13900	13225	14342	15277	23701	19674	42228	44309	35184	34514	29324	33365	22013	24671	28345	25607	8477	11033	35332	30973	15790	21488	595307	24739	1	1	15808	19531	13997	16459	13086	11360	1	1	8397	13862	10020	9720	13709	14366	6963	8452	1	15384	20100	15731	16648	16017	1	1	10970	1	1	1	13912	9797	7012	1	1	1	18564	17142	13965	13230	36717	32144	1	1	26008	20101	6659	1	12032	12982	1	1	1	1	1	1	1	1	11877	13921	7834	1	16827	16478	1	1	1	1	1	1	11830	8280	13807	15732	10054	5882	1	1	1	1	7609	1	10184	1	1	1	13255	9724	1	1	1	1	1	1	9728	11523
C3 H2 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16398	1	27531	1	1	41149	39579	47402	29692	34026	39800	1	32147	1	54111	62662	19035	1	44667	48270	18582	55271	34830	31034	22444	30773	33397	58063	25081	51614	16438	27940	55671	31512	61142	70023	1	46495	47309	1	46997	24581	43327	39173	22521	32149	52532	21821	1	1	49058	26328	28780	45217	1	43783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H27 N2 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15343	13207	16127	14990	13796	11364	17490	16391	18589	20698	19716	20535	1	11636	14016	12027	17058	17572	16613	16760	15293	15317	12802	10496	12042	12378	18760	17898	1	1	1	10983	1	9841	9284	14698	12308	12613	14167	14801	19219	19719	12889	13775	20044	17370	19090	18942	17284	18983	18350	17856	18808	17095	26435	19377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H6 Cl3 N2 O4 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15325	15641	8903	9814	13430	16782	15238	20066	13467	17102	15660	15394	21450	21380	1	1	16516	18659	18776	18391	17056	13138	18262	17385	17519	15168	11945	16766	13860	16758	11161	16969	18446	18989	9225	1	13960	13235	18549	12197	11166	12309	14839	14401	10367	11094	14106	15405	16048	21165	11229	11607	12562	17761	18108	10609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1231.7542@0.84043425	15284	15710	20167	16356	20412	24087	10873	14503	15907	15836	23038	21875	22818	16105	22207	19438	17369	16465	17957	16766	23477	23427	13905	14991	22460	24232	20701	18879	12011	14703	24755	26590	30926	28616	29840	33860	26573	27618	32805	32777	30257	32558	28008	29780	25304	26077	32874	33219	28519	20961	29962	26927	30465	35405	25974	22607	35629	35667	12416	15549	10883	17439	10543	11962	17801	16753	15654	22786	19195	18026	14473	12800	34458	33924	36784	35375	21125	9287	1	6613	8865	8572	8545	12670	17991	20732	12319	10886	9558	18840	14617	16659	11088	14156	17652	13653	19930	19714	37311	34199	22517	19887	27441	31162	26669	28493	34319	32970	32920	29468	34018	25558	39417	30231	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
884.3335@0.83990675	10556	15570	12428	11681	12797	13176	13263	11307	14307	12320	15050	15313	12249	14360	14276	13331	11749	13514	11931	14491	13348	15707	12286	11471	13820	14091	13107	13864	12692	12267	26714	27886	30978	28647	30869	31845	30818	29061	25385	26811	27173	28979	30766	33576	27874	29152	25848	31486	33773	33968	33904	28077	30029	28535	38463	39606	30715	30585	9549	8011	14168	14810	7124	10745	14559	12181	13269	16396	16454	14015	7998	6640	23235	21053	27050	23109	15282	6924	1	1	1	1	1	1	14221	15174	1	1	9564	8366	8848	7703	13347	18540	10856	12925	15248	15293	23335	23110	13288	13278	21386	19196	18646	21504	23340	31271	21778	18597	19846	21957	28022	20776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
149.992@0.96024483	25373	71679	1	7795	71549	70860	1	10404	15056	74689	72167	13113	26286	75075	15169	11686	81996	22250	23149	14861	20704	20556	61145	1	18924	1	11075	9883	59260	65364	41267	40285	1	44453	50985	45667	46875	42727	33492	35733	108539	39239	46578	41592	29850	30500	37803	44409	50045	56736	16303	40563	49270	43997	62248	61189	59797	51859	29227	28843	16700	24167	21997	20853	28474	28769	32507	33058	30362	27628	24490	20153	40296	31198	43470	34028	50617	59107	37934	42046	7890	13035	22736	17855	34609	32390	7341	17010	16320	10569	15370	26293	61851	31969	20400	13336	31132	28172	37576	28179	32326	28035	21729	33307	42913	27883	43937	41517	23827	25884	36152	35572	25240	27955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.0893@4.2462716	13443	19926	18862	14210	11628	12021	16075	15620	14079	12324	1	9361	17056	13769	10023	11509	8956	10671	11640	12850	7601	10063	15580	21866	14824	16155	13176	15353	20616	17879	11536	10748	1	1	10108	10235	1	1	1	1	1	7754	1	1	1	1	1	1	1	1	1	1	10440	9760	1	1	11066	9861	6924	7208	1	1	9576	11764	1	1	1	1	1	1	15668	14896	1	1	1	1	1	6719	8589	8663	14357	13111	11569	12737	1	6284	22062	23143	25664	25013	20953	21490	1	6949	26659	25663	22952	22636	8066	7290	17202	15162	10044	10384	10748	10599	7426	9289	12772	11376	9749	11873	10865	11185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C40 H84 N4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27489	23144	23605	26435	23931	24144	24259	29733	35399	35696	24980	27325	17412	15469	14436	13616	27268	29456	26756	31999	22335	22794	23380	16506	19064	17681	27843	24748	20790	15758	19932	17076	16353	15128	15824	15604	20352	20672	16073	17652	31602	29356	21325	18160	20828	16637	20466	22696	30486	34860	19933	25861	25409	26300	21121	25218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TCA-ethadyl	28301	23385	32762	24494	23781	25877	26812	28656	28281	29450	26767	29826	25756	28786	25536	24693	22487	24325	25182	31083	25099	25063	31439	27463	30287	27970	25026	25152	30339	30037	22342	22298	26653	29398	23624	24224	23265	27926	23918	21291	21789	18458	21367	22032	21284	26473	26005	25400	24432	26832	9676	11741	23561	24977	27032	30100	22559	23870	17690	22487	19453	27350	17868	17929	22138	20480	24197	25666	23423	28808	29981	25859	10507	14110	23527	21646	26372	31718	29294	27178	15133	18865	19819	22640	26098	23697	22770	22080	13776	17852	16453	14916	14438	11246	21751	17715	23347	18050	18426	19732	20604	12342	18098	22577	13800	16888	25336	19744	15830	18460	19277	19878	19840	22067	22086	27002	22613	26492	17484	16426	24246	24828	23542	29299	23260	23416	23951	24369	25193	27555	28824	24824	27925	26152	24668	25062	25566	29294	21374	22311	29407	28642	25199	30952	25033	24467	23103	28899	29842	30137	26305	31270	28819	28092	15517	18008	28473	28153	19858	18752	26471	23392	26873	26365	10062	12976	12842	13590	12194	13296	19382	18511	13715	12950	13103	11588	23607	21053	14265	12237	14376	9720	13069	13938	10939	14336	13505	13713	11954	14400	14053	12576	15636	13164	11115	15273	12435	11298	13926	14018	17636	12863	23366	23023	13806	13153	15688	16382	11552	18448
LacCer(d18:1/18:1(9Z))	22934	23595	12329	13573	21926	18564	18406	20583	17352	25569	17794	19130	18465	18506	9907	11115	24277	20787	20839	16551	18634	18069	12783	1	17123	21853	14143	17114	17854	11347	30198	22863	33291	33316	25355	27154	26135	28538	22423	17225	25643	26961	18621	19607	11676	9829	16240	18596	20945	17871	1	8873	17272	14989	29859	31033	34834	36980	28985	33704	18931	20645	25140	22661	29967	29530	27349	26754	27878	23069	21040	23182	14238	15138	29272	29840	36651	34837	20984	17322	13627	11706	19938	19812	19971	17447	20389	15834	16627	16339	18666	14462	9259	1	18110	23047	25049	22643	22836	25817	15773	20498	21771	23628	26404	29048	31941	36286	18954	14627	24497	27186	29517	29589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9779@3.599961	116044	1	84518	1	1	1	67923	1	1	57061	33435	1	1	25194	21649	1	1	1	16007	14484	1	1	1	108293	1	1	1	1	52191	1	1	1	1	1	122477	243630	1	1	18792	163246	43802	1	48725	33404	1	1	228922	48726	1	1	1	1	1	1	1	56191	1	1	14999	1	97160	1	1	18987	1	1	1	1	71317	1	78678	1	1	1	1	28732	1	18058	62489	1	1	1	1	148628	1	1	1	1	1	1	1	1	1	1	1	1	138524	37612	30385	1	46788	1	1	1	1	1	11448	1	60772	127440	1	1	1	1	1	1	108472	1	1	45694	1	43854	1631873	1	1	1	1	1	1	1	1	33188	55913	1	1	1	1	1	1	1	33353	1	29715	1	1	1	26196	1	1	1	1	1	1	1	1	1	45077	29060	1	1	1	1	1	1	1	1	1	58330	1	1	1	1	18059	281643	10657	1	1	1	52390	1	1	1	32131	1	1	1	45813	1	1	35809	1	1	1	180396	10025	1	1	1	1	1	107850	1	1	1	35255	1	79074	1	1	1
1191.7461@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12177	14002	16606	16876	10628	10063	14949	16244	15321	17556	17672	16831	1	11866	27331	26375	29214	24460	19974	7102	1	8438	1	1	10063	1	13862	12690	9602	9077	10514	8293	10575	9606	13053	13954	12330	13477	15790	18366	29129	30139	15870	20473	25684	27355	27983	22129	25373	28294	24038	23701	25167	28445	35420	26222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.9145@13.075587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	117699	1	1	179345	121233	1	1	1	1	1	1	136321	1	193226	1	1	52244	1	1	268345	122630	472909	1103465	758645	228654	45110	1	83150	147832	1	237460	389446	252066	1	1	604418	194127	405922	453429	166664	1	364363	44590	1	105624	583211	1	127185	1	101957	1	1	1	1	1	45134	1	262504	504181	299700	133101	289223	1	40667	1	1	1	155310	123425	147734	133208	175636	1	227731	211463	145801	1	162909	1	198199	1	1	234868	147157	161192	1	1	156112	70895	1	1	1	1	1	1	196205	226645	98358	1	150555	149188	176972	158620	1	1	432017	158930	362194	289403	1	1	269182	1	255723	1	800651	875149	1	208370	306119	317080	458122	409532	271438	1	316094	1	181705	509791	487057	1	1	1	1	232379	390388	1	277542	1	189773	1	427954	1	233889	240868	1	255084	1	754165	345510	1
926.3184@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10209	10573	14424	12724	8403	11349	14271	11028	14967	16773	18553	16296	1	8597	21631	23241	24085	22524	16314	7381	1	1	7348	1	8636	11102	17684	15978	7801	6325	15340	10526	14553	12106	14460	16455	11163	11367	21760	18513	25937	24503	17435	14508	24779	23332	20594	23564	27176	26158	23902	20408	20964	23838	25267	20838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
957.7628@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40867	40584	38069	39280	28838	33539	46872	46447	36789	39824	39641	38675	23730	20716	37965	34993	50358	52064	43012	27061	18077	22427	14071	12639	17191	28188	32764	33873	21852	26422	28235	30307	32483	28311	37081	42084	38104	39957	35553	40773	47189	49115	44998	44805	49498	47867	44819	48907	53745	49958	45093	46160	46475	47689	52134	47925	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8675139	11129	11411	13127	12993	15726	16520	9082	10247	13198	12308	16837	14441	13322	17028	11873	9462	10810	12066	12932	12065	13073	12745	8232	11916	14455	12558	12879	14235	10155	12241	8962	8770	10186	7278	9949	8129	7512	8416	8344	9444	7587	9171	8417	1	1	8578	8527	7951	1	1	1	1	10097	13879	1	1	9437	9679	7378	6617	10778	11243	25682	24545	11267	12251	11339	12002	15842	15140	35274	34954	8936	10837	14761	15993	9296	8864	5486	8581	26364	26883	22984	23684	14361	14510	26634	26426	26536	26065	25774	27156	6986	8205	1	26733	7288	25724	10803	12119	18943	17991	10699	9713	13464	12751	16033	15506	11736	10139	14971	10814	12561	13621	1	7167	1	1	1	1	7790	1	1	1	6734	7585	1	1	1	1	1	1	7723	8735	1	1	1	1	1	1	7374	6993	1	1	1	1	1	1	1	1	7697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7410	1	1	1	6757	7942	7986	1	1	7222	1	1	1	1	1	1	1	1	1	6660	7379	6717	6707	1	1	1	1	1	1	7698	1	1	1	1	1	7308	1	7224	1
> limit nullnullnull 0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9740	6345	8193	8387	1	1	6109	7040	8038	7226	10716	10174	6068	1	15698	14588	13770	15956	8886	1	1	1	1	1	1	6261	8845	9935	1	1	8762	6327	10258	7501	11174	12046	7708	11346	15041	13714	15868	16550	17586	12221	15482	14706	15572	16363	14441	14757	14888	15325	16389	14147	19263	16031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.6448@0.8660072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27148	28433	30766	35438	27141	29486	27989	33615	36486	38612	30144	27028	17353	26149	21180	18754	31209	26645	36204	38614	33403	35655	26402	29722	29867	24727	27409	28459	24990	21699	18001	27024	23007	21301	17878	12368	21003	21282	27903	25807	31850	27597	25587	26571	26605	31499	29756	28694	30456	35552	21085	26913	29902	30722	33625	28991	10024	10411	11600	14207	7336	8682	9280	12025	10615	9243	11225	8622	11022	10536	13863	11971	12259	11882	10563	9761	12695	11664	10291	11535	9282	13778	12452	11027	11976	8752	16864	12497	13238	10841	10978	11512	10250	12927	11789	10387	5891	6273	10287	9447	8765	6469	13464	13222	10822	12650	1	1	1	1	1	1	7367	1	1	1	1	1	7809	9665	6115	6491	1	1	1	1	1	6378	1	1	1	1	5911	1	7933	7886	1	1	5913	1	6156	1	7459	1	7706	7543	7335	1	1	7212	6978	6120
286.9603@0.8679999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11035	11126	11678	20870	20764	1	1	1	1	15325	12811	27658	30855	9627	1	1	12246	1	1	9308	11933	21653	22272	19038	21605	13466	14142	25901	24280	18838	22456	30036	26605	10710	10760	22073	24814	23812	27081	1	1	21720	15219	1	13244	16870	14735	13819	13017	1	12335	1	13146	21143	16085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
969.6793@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17501	9986	22622	20373	34568	35380	13193	13962	19275	20377	15072	1	36662	41616	11302	8059	19042	13926	13482	15312	16727	19592	23684	22245	23176	29677	14855	18288	40556	45106	34705	41717	35053	39539	14214	13065	44706	36666	25034	33263	21261	14411	25974	23833	17345	15890	14050	12492	8123	8935	19221	14854	17124	12180	25289	24097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.0001@0.90100044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7626	7827	10135	16881	17175	1	1	1	8089	7944	9207	23919	25321	1	1	1	1	1	1	8713	10203	14634	15834	10990	14540	7377	1	28258	27738	27293	22988	17729	18638	1	1	19321	19299	15739	13360	1	1	20182	19321	8272	1	9848	9912	1	1	1	7409	1	1	10283	10091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.1411@8.421199	31275	27924	1	1	1	1	16664	16773	17034	1	1	1	25575	1	16683	35534	1	1	25263	1	20070	13635	14920	1	1	1	1	1	22595	1	1	1	45659	43297	1	1	1	24223	1	49080	1	58181	1	27949	1	1	1	1	1	1	1	1	1	1	1	1	32461	16887	1	1	15081	14179	1	1	1	1	1	1	12473	1	5576	1	1	1	1	1	1	1	1	29899	46943	49460	41945	51039	21427	23679	14353	14884	1	19872	16225	13581	9934	16163	29467	25265	45680	46101	18113	24976	41766	42705	15752	1	24336	1	1	1	32405	53035	16583	17990	43773	21661	31552	47827	38483	24536	38518	52235	21938	24001	17433	28261	46836	45881	23140	36317	35134	50783	30964	40108	46928	43513	66973	64859	41543	45522	39227	48958	36950	46952	37472	53063	48519	31559	21233	23299	16290	20053	47342	43503	24708	35944	63644	59951	29343	16909	51307	50770	28995	34801	20174	20134	1	1	1	1	14874	15222	19085	15377	14679	22523	1	1	18642	29563	1	1	1	1	1	1	15424	21771	56449	48021	18507	11520	12540	11680	9304	9943	12661	1	19724	19823	1	1	16838	14100	1	1	1	1	1	1	19662	16619
814.8227@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16103	16809	15867	15344	11453	11657	20608	24603	20413	17175	20063	22663	9923	12566	25944	26101	32319	30163	17180	8344	1	7776	8251	7564	9058	10336	18619	16725	9112	1	12514	8257	13309	16350	14416	17781	1	14580	19651	13694	32677	30890	17019	18331	21493	24564	23052	25000	33888	33718	22649	25057	30128	25302	32684	21908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C22 H30 N2 O22	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74179	80816	78500	36594	30877	30274	40551	22229	115995	1	27095	14801	47099	33126	22737	35579	41812	20391	1	1	1	23071	24524	28001	20820	12778	14711	23493	1	15691	16283	20534	27844	14025	32721	12935	42818	24290	36217	25133	26677	41539	29242	13889	1	56683	15919	19128	24904	36919	14482	16488	23096	14777	38447	47599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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465.0335@0.8850001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12561	11997	1	1	1	1	1	1	23349	26789	1	1	1	1	1	1	1	1	14878	16845	11644	10528	1	1	23144	25807	19697	14356	17426	19512	1	1	17226	14466	11544	10630	1	1	7859	8685	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H4 Cl N4 O9 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26335	33140	31651	29526	25765	27585	30209	31674	28401	29439	26455	26212	22473	22243	17079	16608	25062	25105	29490	30827	24364	25227	22487	21791	26041	25570	21023	22165	17878	15402	19251	19306	18315	16421	13075	14038	23145	19998	23745	21470	25071	28038	23560	23916	27044	27931	25683	26282	20104	16395	25572	29960	33081	29961	31358	30145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H3 Cl3 N2 O8 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20604	22642	17966	22505	17696	16981	20470	28001	27459	21624	19938	16626	18073	15686	18069	14156	22667	21891	24963	25781	19115	24225	13580	15948	14784	16598	22465	17065	22300	19558	23134	19705	19222	21435	21023	20083	23083	22683	19109	18404	21538	23621	21148	21595	18100	22255	24598	21816	19326	19923	19149	22140	24686	19816	27376	24492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.8573@0.8393884	38727	35698	35658	38940	51464	52274	34115	33325	41368	39070	47583	42903	38307	39477	47799	41936	37183	33236	38821	40312	41651	43067	28207	28678	45646	52684	43470	43757	32592	36045	36402	42816	41668	41262	35421	35095	36429	34822	41055	42622	35779	38669	34815	31672	35232	37981	38233	40458	31620	33113	40791	35387	44005	45687	37574	31327	45700	44069	14844	14189	14904	10241	9500	6959	11915	15875	15788	17645	16949	16493	8975	7216	24452	26217	27201	26909	14293	8769	1	1	10963	1	9052	9353	16413	17470	10514	11199	10292	10277	12033	11144	9247	13904	13776	11646	12801	11997	21623	25146	14842	14312	17508	17863	19828	21027	31202	25627	21143	20990	24462	21800	31321	21170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 N2 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44523	52677	50690	52856	53691	47154	52964	52988	58615	57717	45219	49147	42427	43196	53888	54488	61519	60876	53040	49902	27545	40341	25504	32138	37859	41215	39057	44933	23648	17538	31645	35929	38123	36159	44462	47859	41296	46654	48517	49012	59589	61271	52166	54381	61577	55151	61804	57745	55116	52957	57204	56511	55951	60927	84704	68476	19233	17518	18455	17731	17463	18485	17496	18625	14011	13337	1	13079	12447	12152	10204	9727	14236	13122	9080	9406	9177	10830	13603	13488	13649	12144	14359	12257	10075	8733	15070	14165	11699	11403	16188	15416	13304	13671	10444	9262	1	6309	9890	9585	14101	12440	9336	7305	7891	9264	1	1	1	1	1	1	6879	8610	1	1	6431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7869	7389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
734.0461@1.1819998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13585	12685	1	1	1	1	1	1	22337	23744	1	1	1	1	1	1	1	1	13950	14291	6080	5874	1	1	31329	32686	23386	22618	20370	19752	1	1	24619	22542	8437	8848	1	1	11805	13011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1021.5871@0.8818454	13186	10488	9107	8257	11081	9793	8231	10967	10417	13287	8823	10977	11883	8650	1	1	10277	9924	11097	9188	8527	10409	1	1	11429	14728	1	10462	9738	1	12319	14550	17843	16937	13493	15324	14176	19261	10045	9934	13386	12461	9454	10242	1	1	6597	9837	10250	10136	1	1	8257	10236	16219	15535	20351	20684	22563	24765	21915	16344	21588	21567	23088	26803	21936	27566	18847	17641	24006	24105	13429	15709	32066	32011	26950	24367	18733	14994	12944	13974	19398	20002	17173	18655	17034	21776	17279	16244	14890	15544	12663	7798	17374	13239	19963	21065	25245	27098	19903	22030	17954	24153	20600	24350	28563	29881	17619	18117	23562	25013	24003	28436	11320	13677	13919	18194	20165	16663	20904	18202	18182	17092	18771	19413	14112	12833	12884	12591	17222	15641	14381	11618	11542	11177	17091	17127	13925	14854	20214	22390	11279	13011	22376	18491	14587	17565	18129	18043	21240	17700	14117	13618	9804	7709	14945	12127	18646	20205	13564	14152	11747	10196	7238	1	8406	10132	1	1	11739	11752	9213	9182	8538	12908	6772	8884	8450	8756	11620	10410	8621	8283	10079	11791	12681	11839	9889	11503	7525	7233	16345	17191	10209	1	11386	11672	7819	8799	10062	8652	7696	10800	9629	9915	6959	1	7545	8021
<none> nullnullnull 0.8733399	7599	1	8924	7936	1	7347	1	7851	9224	8272	1	6909	8784	1	8114	8047	7454	8351	1	1	1	1	10591	9585	1	1	8027	7533	7867	10455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6592	1	1	1	1	1	1	1	1	7316	1	12430	11636	10326	12235	17905	20280	11712	12625	11440	10084	8460	8740	23554	22268	10102	9991	11112	9064	11062	16349	15331	18912	19556	18730	14965	14379	10715	8462	32922	26298	24555	22421	19933	22199	12454	10599	27636	26978	18853	19228	14111	11802	19948	20348	17236	15741	17712	13318	8317	9061	14463	14973	13541	15123	16171	16346	9123	9234	7775	7943	1	7182	8225	9820	7714	1	8017	9893	8752	8741	9202	9883	9308	7314	10139	1	8575	8801	9577	10319	7600	9411	9413	8995	1	9595	8381	8133	8463	9173	1	7150	1	8989	7750	1	10936	8747	6878	7643	11107	9245	10104	10682	7717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7546	1	1	1	1	1	1	1	1	6916	1	1	1
C36 H43 N2 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10059	10050	9576	7924	6449	1	8278	6741	8801	8431	9667	1	6484	1	1	1	14223	12306	9451	7816	10063	9041	14967	9414	1	1	6566	7320	1	1	1	1	1	1	1	1	8473	1	9061	1	8298	8959	7807	1	9018	8646	22147	8997	6474	1	7681	1	9823	7082	8094	6450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Polythiazide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23389	23041	20228	19928	37744	37680	14052	13674	20402	21566	37965	37446	47334	44841	12739	10493	17286	14921	13691	14798	18423	16201	36651	38262	35285	32040	34664	36347	39165	42167	37016	35204	39264	40303	15811	15677	43548	39904	37885	37875	11674	13054	34539	30559	18038	18910	23755	18982	26260	24895	20252	22062	19179	20193	26893	23952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H2 O9 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15216	16106	9705	9583	13768	13531	13420	14118	16152	15737	12163	9417	12718	12841	10659	11252	20472	21066	18619	13879	6572	1	1	1	9028	10137	10978	10076	12788	13468	10234	11210	13686	13934	6695	6697	14878	14108	14271	13342	16200	15000	13220	13338	12193	12221	15191	16377	20548	20163	12053	10532	15558	16294	17599	20197	22942	20113	25309	22787	24755	23596	29334	28603	25862	26833	9877	22772	19833	20249	14048	16832	23306	24251	17974	16179	17353	16121	23444	26222	20611	20538	22298	21679	15672	18005	24637	28502	20691	19615	23965	23003	23579	21049	20926	20725	6504	1	20037	17737	17288	22533	11463	13910	13823	17010	1	1	6530	1	1	1	10040	9054	1	6139	7954	6911	1	7213	6975	6399	1	1	1	1	1	1	6642	6397	1	6480	1	1	9829	12539	1	1	7716	1	1	1	8913	7055	7287	8650	1	1	1	1	1	1
715.0001@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14082	14972	1	1	1	1	1	1	16748	17548	1	1	1	1	1	1	1	1	10756	12591	7644	8784	1	1	24511	24388	16292	18110	15166	16061	1	1	18827	19157	12784	15068	1	1	13346	14016	1	7345	1	1	1	1	1	1	1	1	1	7739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.7548@0.8650962	22297	19316	19939	23854	24136	23124	20951	20927	20598	18489	17774	22041	23300	25782	23687	21371	19733	19717	24290	22369	18566	23154	17569	18777	18327	24290	21102	23899	20518	20332	29139	30976	33695	35000	34697	33474	33141	27999	28418	27849	30727	28101	28173	28266	27285	26783	30978	27136	26166	28358	13190	14448	27133	26305	29657	32834	28146	29037	17486	20078	17682	21620	8830	8754	26391	25250	29136	24689	22208	18317	13387	12039	11153	11399	23461	23338	21440	27882	21101	13168	10438	14645	9090	7440	19816	21845	6723	6199	5731	9424	1	10149	7317	8967	1	1	5997	1	17433	18295	9730	12584	10601	11420	14914	13714	25503	21274	11734	14473	16658	16183	14028	13878	18673	19173	21484	23326	14117	12724	20081	21428	25618	21590	20696	20914	21047	20129	18655	17747	18514	20663	16987	20733	19581	19209	18979	21283	19496	17376	21088	20339	19641	22831	24249	26294	19877	21049	24664	30192	23408	24509	22455	22721	10390	8356	24987	26475	10838	9419	18696	20316	26926	22103	8172	8898	11662	10145	8048	7748	18424	17366	7274	6772	10219	9068	15405	16320	11938	11295	8556	9838	10808	12647	5662	8718	6030	7659	11777	11105	8947	7181	8128	8670	9655	9565	6868	5523	12163	11594	9345	7878	20817	21790	7103	7652	8420	7376	6805	7722
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864.9031@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12781	15270	1	1	1	1	1	1	21968	22709	1	1	1	1	1	1	1	1	15275	13805	10108	11356	1	1	25924	24603	20208	21827	20736	21826	1	1	22928	23079	21031	19000	1	1	14109	14503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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756.8983@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24074	21492	1	1	1	1	1	1	28717	26481	1	1	1	1	1	1	1	1	21236	22916	15217	15898	1	1	28835	27431	23010	25747	21143	20965	1	1	25372	24924	18554	19193	1	1	17255	17825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
210.9704@0.896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8117	1	1	15381	12942	1	1	1	1	1	1	22268	22865	1	1	1	1	1	1	1	1	14645	14690	12030	12314	1	1	21682	24684	16887	16814	17132	14906	1	1	16955	15685	12874	15652	1	1	11642	11724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
468.7623@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15515	18312	19059	17460	17679	17414	13607	19413	21687	15363	16246	17787	24127	20679	10087	9255	20460	16151	19057	19122	19237	19134	17048	22052	16861	16734	14792	15957	23708	22993	15054	18219	15884	22476	10394	12014	21723	20554	19919	21783	18696	13073	16066	20282	17123	14492	15243	18385	21062	13657	15926	15235	20642	16510	19516	18554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O5 S nullnullnull 1.011367 :0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	247460	270191	200467	135383	23313	49864	206923	192022	268757	277152	171065	197815	58892	57969	287787	267777	362305	364756	375730	471500	233385	103284	289718	26556	278968	201045	260907	281558	30487	32173	20909	20951	40342	47146	351971	240497	50319	22455	31849	27692	307876	293105	247858	39774	27582	302105	380021	309595	358353	357411	222398	267610	294092	260956	51218	101984	287031	284192	322533	321863	321758	305610	353308	376005	333162	343585	310644	330974	292878	275702	259335	257352	317922	317231	258165	261015	209409	246138	356465	359128	295715	289096	349486	368075	232566	245194	383307	321732	273086	281796	353800	357962	343390	316052	263692	300456	181559	198803	340552	354892	297726	301455	264839	289269	321892	295062	182117	215617	182197	142228	314237	165816	183923	195065	132636	126251	317326	300048	181160	54346	315672	307190	180402	187880	177390	144902	205180	155178	152236	139192	201067	196861	171946	166758	158350	248268	164567	171297	106581	124373	130181	150882	388000	204233	193267	227830	184825	190210	252866	379351	152877	170907
> limit nullnullnull 13.386354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10424	1	7200	1	1	1	8245	1	12414	8987	11945	10703	12646	10657	9883	9867	27761	23675	1	1	1	15810	15390	12206	9237	8292	9686	12803	26845	13811	9389	6334	41187	54129	59789	1	14037	7612	51830	31684	10462	11517	31859	14846	46399	19895	23025	16842	12232	14061	98087	11056	34782	19598	12635	9534	14201	18713	14622	58769	10591	10508	22288	13517	18393	18402	56291	27259	41505	20216	19650	22615	47690	13366	11548	46445	48348	14609	23372	45959	1	11113	8674	9133	11301	1	10909	9260	1	13130	9566	12971	25317	18891	11492	14879	36112	19858	18238	9816	13873	11283	49509	33835	42226	49591	61221	38833	21818	27554	108043	32463	1	1	1	37349	50941	1	63438	145482	28840	34351	31758	39226	51093	14592	13260	19965	20607	15220	19688	11425	53861	27514	32032	29130	15429	18520	19439	53698	35264	32511	17645	13444	1	1	1	1
C9 H14 N3 O4	186375	200130	82650	131696	43719	45597	15078	168434	1	1	26572	127259	52114	30482	171500	34167	10036	1	106989	1	54587	31355	140049	1	134567	12659	48575	70372	13459	1	91292	71521	1	11652	1	1	11320	41507	13805	1	26557	1	76564	153366	154850	194693	1	22417	42668	88599	1	53416	46625	17777	57505	1	1	26017	16078	24666	35201	39327	60191	33122	30730	28866	27052	20265	43224	44569	16680	1	50292	68719	29500	41103	10502	36950	20966	78503	12201	57163	25694	36393	36906	25300	66207	78551	1	60092	31466	1	1	1	64245	71867	79304	23963	15127	88277	10622	28271	78356	49307	16712	15639	1	12825	39189	50582	33114	49953	394244	87963	18463	61060	15891	54897	25505	86412	16606	45846	57690	47368	75830	19386	71030	83959	65700	95876	109013	18386	69450	33745	50163	46736	45981	81678	68509	64690	38142	53953	40973	31511	71091	17712	28250	15693	19506	18577	89693	6891	52289	92025	11187	49823	15286	10010	51011	25786	21787	33454	38028	10746	84222	21832	13723	68973	40879	32498	7753	75540	20894	22442	57823	23181	24909	118810	84889	12652	1	1	21449	18599	17598	122593	33619	35641	1	1	86478	1	1	65922	63235	59040	65169	33313	73914	76189	74133	90440	128278	114740	191031	73162	85593	70480	69915	21727
682.5864@0.8667857	30796	27579	26529	28980	23715	25019	26306	28301	29789	29724	22935	18911	26380	28663	22860	21852	28287	27704	27086	27340	22595	19752	33187	27162	28138	21156	23872	24094	24064	25990	8305	8152	11759	13570	8838	10615	11392	8414	12941	12443	13949	12322	8424	8753	10427	1	7326	7082	1	6048	1	1	11309	12340	7500	8405	12186	12533	20979	20705	25061	25529	25999	21730	21327	20446	23817	27153	18748	22491	12388	13257	14341	16699	25029	22458	23341	21386	26964	21557	19151	17427	21175	21111	21008	19357	13221	13938	17012	17274	16876	15283	15017	14633	17863	18510	18107	19099	23385	25817	20604	23941	22839	25943	21838	24315	16261	18810	23067	26491	24243	23154	23057	26953	1	1	11289	6471	1	7031	8731	6878	1	1	8393	7829	7514	7657	9001	9321	8650	7734	6935	8494	7711	10586	8480	7378	10055	7699	10833	10747	1	1	1	8384	8879	7548	1	7167	8158	7420	1	7071	1	7848	1	6512	7343	9157	7090	6995	7092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6625	1	1	1	7202	1	1	1	6448	9520	10930	1	1	6557	1	8849	1	1	1	8953	8311	1	1	1	1	1	1	1	6101	7975	6662	1	1
C12 H Cl2 O11 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19793	23489	18161	19783	19994	21905	24731	25498	21114	26167	18546	12079	21115	23116	13268	11421	21394	23934	23736	25753	18950	19657	17703	16743	23723	20071	15133	16277	17572	20604	19859	20147	21446	17355	7225	8913	17020	18979	20204	17665	20346	23472	20334	17305	20001	18085	21110	21944	21452	19217	19366	17641	23657	20446	24101	21093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.7693@0.8755624	17480	16086	16641	15273	16492	14483	15453	16554	17685	17968	15269	15150	16213	14644	15255	16584	17565	16593	13695	14997	14040	15068	11549	15329	16017	18811	16036	13787	15984	13790	13679	13322	17139	17135	13937	15390	11832	12302	14506	10354	15383	17677	10231	10777	10722	10886	15049	12477	7664	12174	1	1	17135	13237	8661	8525	19676	21512	22131	20539	19135	18346	17371	16175	23760	25143	21954	20762	16473	22087	11834	14497	12237	12813	21396	20262	21738	20784	20086	18643	16178	13770	13002	14670	17218	21369	8864	10102	13239	8687	11475	12410	7831	11553	11191	14234	12863	11749	24388	19769	13790	13696	18952	17682	16696	20124	22536	19301	16697	14737	21814	20744	21846	16671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
629.746@0.8726838	49353	46143	55828	59090	46415	47694	56368	56814	65172	65598	51290	45555	53567	60580	38274	31622	64215	66088	60793	48300	53275	41880	41380	39628	50462	64725	51154	53394	51907	57441	64924	59714	76292	81165	64320	59910	73511	67269	44104	52714	67822	76866	52210	36663	33034	26627	34712	40963	48355	48201	27013	20464	49897	42591	76995	90815	88710	91376	57301	36786	37473	34429	52633	45140	47472	58329	50516	47544	36762	34717	47356	48637	32275	32964	54360	51069	40381	50859	40400	43899	37214	42461	48220	41709	41059	38893	50273	45794	38579	44960	43542	35868	19938	20095	52125	46664	44625	50275	50769	45438	44016	46616	42787	50197	43074	54985	57853	56187	32980	39586	49010	49107	69160	51331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.7539@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33662	26369	33165	31955	34811	33482	26422	26808	35698	28385	24498	27417	43032	40989	17679	17762	26048	23839	33800	34035	32651	34429	24717	23150	22346	35921	22229	30189	41063	43033	30713	31814	34521	28403	22322	16812	41171	40781	35709	32304	29127	25471	27632	29892	24700	23252	27229	23074	21313	29858	29636	24011	28937	21554	29460	27279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1069.6813@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15233	20832	17083	17918	24976	26354	14041	16327	16731	16764	16625	16883	25917	25352	14592	10017	15423	12411	17495	14799	14356	11339	16345	19332	20744	20417	12985	14052	33622	31964	30107	34567	32146	29668	25452	30147	40965	39618	38556	38600	20759	10690	32009	30150	16483	15186	17188	17954	14078	9419	22765	23763	26417	17068	25174	24115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.7934@0.85073215	27705	27221	33383	31898	24664	24659	33288	34941	31165	32988	26742	25944	26761	27186	23431	23805	31686	30488	32242	28306	22054	22243	32829	34843	27711	27174	27126	27747	33224	32729	29238	28301	28405	29866	27317	28580	28337	29159	29036	27576	27493	28009	25057	27679	23939	22510	24753	25492	27415	24187	16131	18273	23808	24566	34528	30836	32310	28073	35954	37778	34322	29836	43104	45305	30746	36284	35626	35738	26832	26262	36183	43665	24130	21714	27373	29788	34842	34278	27698	31503	25620	28736	34570	31261	25639	28174	38081	40691	36870	40303	43500	36250	29526	31844	42735	45409	41612	37731	30046	27886	36965	42309	31123	26215	31972	33552	26089	27862	29599	28639	31031	32625	34825	35640	28437	28291	35748	34673	25725	28274	33467	28267	30552	30897	32906	32062	33230	30288	28443	26468	27415	28240	28922	28476	31264	30947	30612	31233	31911	27646	33517	35612	29945	29145	30576	29611	28912	31707	28864	35295	32376	31600	30926	32833	24833	19373	33870	31678	28568	26469	31444	31895	31485	30678	15975	17701	19585	18526	17237	15578	26780	28328	19045	19150	18981	17978	26029	23869	19534	18218	17989	20383	19807	18214	22254	19483	23293	26064	16649	21757	19392	23187	29860	23781	21255	17466	22474	23451	20981	20817	21982	23131	32042	30723	18281	18272	21904	23484	21459	22148
514.7552@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29228	27201	18319	16977	20346	18739	25357	19619	24204	30322	20156	23118	27031	18193	13708	15776	19761	25296	21716	30639	29045	24847	20751	18939	24586	26359	19940	27580	21529	23521	18547	19738	28607	18714	12159	16489	21792	21022	17316	22098	26860	22963	21261	29442	27365	17054	23350	30421	22978	19573	25486	25728	26929	26831	30812	19957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H Cl3 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26678	25917	21881	19705	13012	12204	23926	23467	25905	26253	22431	22806	12897	18425	15494	15764	23099	23053	22470	26338	24449	23566	13011	8909	13627	16633	21242	18311	7085	13238	9820	11003	9379	10815	7446	8617	11194	10510	9907	13445	19919	19590	16011	10737	16455	19089	19412	17455	23354	23805	17942	17461	21512	19051	18499	17509	1	1	8676	9236	1	1	11867	1	11819	10266	11599	9926	9283	9007	10718	1	9859	8931	9252	8925	9257	1	12972	1	10436	9122	1	8908	8691	8903	12347	11831	8955	8646	13706	11781	1	1	11088	13471	1	1	13152	10465	9142	1	8567	1	10337	8905	1	1	1	7344	7980	6810	1	1	1	1	8742	8655	1	9055	1	8404	1	1	1	10643	1	1	1	8532	1	1	1	1	10689	1	1	7955	1	9384	1	1	1	1	1	1	1	1	1	1	1	1
1024.9685@0.8710001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12197	10282	11216	12563	18224	1	1	1	1	1	1	1	1	1	1	1	1	1	10067	9317	8698	7064	16810	16796	12345	15640	1	1	30206	31417	31983	22908	19168	20994	1	1	18724	17837	20739	14213	8838	6580	13789	13755	6673	11088	8759	6221	6859	9042	1	6394	7515	1	6988	7113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C43 H92 N4 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26404	28792	20204	18597	28969	25541	24158	26857	29998	27820	20100	21736	24691	25969	19534	18432	42183	43380	38554	31436	20394	17595	21935	27326	25178	24042	23554	20667	23674	17040	23782	21555	24684	24969	12006	10341	18687	28684	23979	24328	38032	36128	24852	22124	34757	29511	33585	32039	44980	48957	24422	22726	36428	33647	42551	42872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
561.7222@0.86089486	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15931	18852	14034	18507	16539	24381	18597	20536	18648	20771	13822	16259	17935	17082	17238	13979	18485	18784	19255	20629	23916	18478	13217	15368	18011	13721	17364	17512	19344	18694	14668	16025	17604	16729	9546	9943	18859	18494	16102	9208	21744	21435	15796	18468	17456	22028	18785	23655	16868	21292	15552	17517	13843	20978	23565	19685	11310	10982	11993	14816	10186	8491	10280	11940	9425	7974	14889	11580	8385	12155	14338	14719	13107	10648	14383	13233	13254	11720	13194	13486	14809	13453	11479	9229	13376	13023	11970	14819	12408	10612	12658	10602	10660	14414	11094	9983	8197	7417	8857	11498	8893	12150	11973	15187	12755	10996	5826	1	1	7855	6275	1	7502	1	7203	6789	1	6793	9426	10724	8055	7011	8069	7140	1	1	7803	6332	6896	7894	1	1	7293	6246	8412	7239	6015	6142	6764	7473	6179	7282	6870	6180	7798	7740	8972	7577	6137	5810	7962	7761
N-Histidyl-2-Aminonaphthalene (?NA)	212788	220861	1	116752	1	110772	103778	79073	1	168649	118138	118693	235380	191592	272274	1	190401	177690	126584	1	129136	144750	73272	58707	66248	69523	85388	29007	100502	1	1	1	1	1	1	1	91075	32334	1	68172	1	135206	30491	1	1	1	81890	42657	1	1	53998	1	109075	61394	1	1	1	1	1	1	90051	69124	1	1	49668	17957	1	1	1	48325	72147	29513	68296	106188	70613	77659	75179	78629	39360	161198	187933	165577	316496	293669	106638	128835	115660	104269	119672	141939	101243	111211	99020	74921	185194	190866	299016	261449	147075	130334	214289	231761	133049	113376	152541	160110	54242	57318	233579	249244	143891	133262	177495	199420	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1293.7189@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15006	18219	16135	16373	9604	12033	20202	19052	18252	18381	17956	17700	6997	10681	26277	29102	30703	27616	20542	8251	1	1	7917	9400	11984	13434	14339	19420	12435	11840	14458	9889	13668	12771	11410	19133	17117	17985	17859	21282	29906	31913	16026	18023	25783	28335	28902	26289	29251	29008	27808	27331	26125	26892	33381	28069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
181.0752@5.690999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8341	1	1	1	1	1	1	1	1	1	8325	1	13513	12806	1	1	1	1	1	1	1	1	9764	9894	16804	15161	12708	13275	14283	20815	10341	1	12698	1	1	10240	21019	26307	22604	21996	10407	12902	19943	15777	9445	8728	14915	13632	14041	16571	1	1	10188	12464	15165	9469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
737.7889@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44294	48510	45367	49326	38443	38728	50241	53792	53065	48668	51275	48325	35260	26439	45366	48359	50373	54484	46029	33013	32723	26552	22607	25435	32194	32964	37485	37579	34686	30706	33147	41122	36054	35244	46328	44394	43274	37028	40644	40311	53990	49662	46839	51451	51744	51433	50841	51261	50844	46527	48606	51917	48852	48388	57833	58346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,2',4,4',5,5'-Hexabromodiphenyl ether	19461	20352	23469	20093	17188	20102	19747	19211	23642	18006	21122	19844	24429	22426	19253	19046	17543	19587	20955	17191	19368	21702	15241	18248	18057	20818	25117	19325	15224	18105	28455	28333	26233	27636	26790	31399	26701	26886	30643	28551	23151	26871	27137	23432	21731	20038	28813	26908	23783	25821	16873	14577	26052	27975	30633	30913	29811	29843	9734	7631	12022	9279	7395	7088	13844	14496	14658	12447	16285	14547	1	9594	11212	9415	17723	20767	14117	9591	10090	7887	8878	7940	7292	12082	16352	14741	10709	15799	8595	12356	9156	9048	8300	8543	11334	9222	11140	9561	17115	16025	11171	10446	11650	9184	12677	13918	20628	19783	13324	13815	12774	13960	15092	12800	11642	11010	11156	9915	7940	7812	10064	11367	11004	9857	12593	11552	9781	13311	11408	13099	11954	11536	10514	9529	10631	10438	11961	11349	11156	10571	10664	13789	10987	11063	11944	12368	11722	9725	11886	12669	14656	12442	12313	9822	7763	7637	8275	11263	8869	8793	10372	12092	12114	9510	7650	7932	7727	7173	1	1	10847	9599	6686	7143	7641	8591	13003	11733	9066	8610	7934	8038	1	6945	9082	10533	6903	7285	6871	7978	9938	11662	8566	8936	7653	9802	8091	6903	6925	6806	9118	7955	10807	11453	8896	8972	7583	9051	6898	9372
568.6636@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23489	19797	23407	21557	22654	19053	26670	17493	19411	25657	19496	22334	16860	16541	15382	11815	21216	20087	17309	24437	18078	23940	18682	20029	21816	25905	19285	18281	10470	12154	16157	15899	17172	16384	15245	14292	17718	16335	18292	19603	18272	16144	21507	21598	19976	15844	20726	23353	17055	21122	19023	23094	20758	21853	24267	19506	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Oxovalproic acid	176766	1	1	1	1	136318	96664	1	1	169322	245707	1	1	1	210021	168727	1	90067	181315	187514	239820	251201	1	1	1	140716	132531	200871	82282	83106	1	110723	1	231814	88527	239329	1	1	1	282481	1	84892	1	1	115026	1	262622	1	1	108953	68246	106437	1	1	1	288748	1	1	154418	1	1	1	1	39380	153955	1	1	50823	1	1	151336	1	56242	91681	15699	134793	48065	109960	76413	41722	149825	129593	186836	213657	34142	191266	170603	166362	102407	54036	38006	177019	67076	171028	49803	198818	15345	55500	224347	1	222661	29441	97084	224104	192998	206430	73078	55107	203428	72812	117268	173634	1	65942	92300	254371	265927	247657	96900	110704	221607	223952	80880	32843	192575	106728	78030	82277	67542	267482	128353	134728	155992	182065	79775	29078	136058	80970	180322	255515	92486	257199	100716	80805	1	100045	208202	260073	205196	238545	89001	55078	183970	125849	56893	266120	72096	142954	83610	101262	90973	190392	91900	85538	218159	94108	96549	98032	173542	90119	231883	109789	114795	48394	290170	96117	294237	132910	168310	261813	12758	132037	265438	145810	96307	300739	104095	278632	256185	82768	93816	288396	270167	292897	268298	84984	156357	282619	100226	286503	82330	263828	226979	101521	93537	110208	147671	251395	116270	43489
339.8051@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21837	16957	16459	21000	17103	16842	23100	24543	28615	28067	27032	22023	23094	23754	13434	12602	16960	19707	20045	28810	26866	24896	17345	19772	14648	16140	22506	19785	18113	14697	14133	13313	14295	10545	10821	9992	14259	13625	11184	12928	19994	15781	10778	11820	15473	13837	20374	17019	21612	20556	15892	18056	17298	17128	18280	18809	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1269.7144@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15249	14438	12883	14529	13255	1	16687	15519	15385	17880	16670	14502	9976	9185	24810	22457	30034	22840	22590	10525	1	1	1	9916	12437	13078	12734	17206	11030	9868	11277	12348	12003	13316	14555	20854	16523	12035	18419	19708	25763	24368	21697	18075	23666	21910	25304	20537	26775	26489	25909	20709	21139	23717	30718	30330	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1123.7606@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15690	16787	17743	20530	21674	20725	20514	18044	19106	17380	16327	15403	16074	17832	25434	20101	33583	26575	24680	11731	1	1	14364	12636	14110	17857	14804	16376	20577	20255	19221	18232	18599	21396	18518	15476	19112	20559	22384	26764	30438	29573	24039	21840	26632	27702	29324	30294	28538	24249	27228	27313	31800	26415	38552	30432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
810.2722@0.9939997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18676	17288	12614	12024	19624	20830	6724	1	10280	7714	1	7081	11082	15043	9204	6950	12115	11857	7628	8767	10593	14755	7728	8604	16700	15909	7130	8127	31353	28966	28633	27356	10115	7806	1	6889	16981	16241	16063	18640	21139	18533	29514	29535	9496	8169	12854	11815	1	1	25807	27255	20502	21084	16609	15992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.1034@1.2439997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13444	15727	1	1	1	1	1	1	12299	12797	1	1	1	1	1	1	1	1	10659	12020	10549	13023	1	1	10432	13606	19799	19549	13109	11832	1	1	16185	15553	11112	12221	1	1	21010	23403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H12 O7	19706	15872	13176	17979	13119	1	18569	12361	12220	11580	1	9772	13577	10715	1	1	9598	20981	17426	12514	1	1	15991	12341	11090	18645	1	13694	14551	9560	7177	1	1	1	1	1	1	1	1	1	1	1	8244	1	1	1	1	1	1	9386	8148	6892	1	1	9022	8206	7646	7723	114661	113831	98964	100323	59022	113275	101288	103627	115330	105923	88203	34090	107122	96414	45192	60748	51943	50458	71004	68303	92028	54013	68424	75512	93361	32259	39660	40085	80749	31505	31119	28269	29274	47254	31951	42926	36701	33312	30261	48354	129070	44554	117498	121455	28110	47450	55750	49091	84730	44807	104482	112871	130001	44781	22677	26307	17651	1	1	1	21128	19546	19145	1	1	1	1	1	1	1	1	20678	1	1	25540	22296	1	1	1	24410	1	1	22270	24332	1	23833	1	1	1	1	1	1	22114	24140	1	1	16854	18295	1	1	29395	30629	23259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-(Carboxymethyl)-L-cysteine nullnullnull 0.9475944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25610	24704	22626	20365	22778	23372	23611	26706	28051	26750	20121	19105	19338	20039	19339	18220	34833	32064	41642	37900	22608	26942	1	16901	26660	23730	23661	21215	17763	17901	17966	17031	22339	21318	11793	14497	24496	25060	29251	28346	25289	28543	23497	23797	22236	24751	29127	25261	31579	33692	23614	19952	28766	27618	55663	39208	15725	16411	26448	23463	24214	20894	27325	25570	18383	21364	19645	21324	19945	19166	1	1	22583	23516	1	1	14182	13303	22157	22679	18374	16535	29816	29375	1	14709	31087	31560	22339	18505	28659	28466	26266	28922	20642	21876	10328	1	17527	15313	32090	31982	1	11841	13160	17409	10234	9548	10394	9557	1	1	16896	17311	11193	10585	12623	13300	9339	1	9441	1	10362	11736	10075	8731	13657	1	14763	1	11886	11783	1	8852	17369	16605	10102	1	14549	12753	10341	10147	11051	1	8401	1	12776	1	1	9669	1	9901
321.0702@1.5460006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6555	12371	1	11050	10271	6307	1	11136	12177	1	1	11573	12077	10366	10387	1	1	1	1	9267	7692	10256	11143	16962	13283	1	1	22205	22545	17677	15189	11929	11942	1	1	35456	36982	15026	13310	9428	8077	19273	20160	10805	12898	8546	8298	1	1	14035	14576	11781	14814	21084	16852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
585.9724@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16539	14551	1	1	1	1	8193	7131	15834	17284	1	1	1	1	1	1	1	1	12846	11808	1	11277	6551	1	27045	24248	19123	17656	16166	12420	1	1	19728	19733	15940	17630	1	1	14440	15753	1	1	8623	1	8485	6015	1	1	8229	6948	8726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-(+)-Abscisic acid nullnullnull 8.063998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15413	1	1	1	1	12101	1	1	1	1	15766	1	25425	19906	1	1	12996	15491	38453	40955	55974	51508	42680	44175	1	1	19215	12165	23704	27405	1	1	1	1	36870	37825	56186	47502	32094	36802	76241	88157	28195	35246	29840	32296	1	1	56293	70657	22646	28911	63162	31911	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
437.7435@0.8669575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18703	16973	16100	16099	19662	14686	21421	17171	20636	19986	15687	13913	18093	15482	9010	9986	15006	15635	15080	23722	26625	24113	20251	17325	16966	17893	16342	17993	13989	17437	13459	12668	10353	11686	10348	10897	12815	12185	15534	11060	16371	13273	17434	12292	17041	12641	19152	16781	12092	14263	16645	15106	17970	15955	17598	16167	17361	12497	15237	14625	12129	11254	17859	18105	10448	12559	17502	13880	20019	17666	13825	14370	16111	14781	16523	14273	15712	18123	14978	17240	17219	14777	13794	17537	17127	19542	13950	17360	14493	15758	10412	17358	17358	22738	19383	15364	11214	10457	13331	13429	18315	15514	16155	16223	19258	16852	1	1	6245	1	6991	6490	1	1	9642	7846	7056	6855	8916	8156	1	1	1	7730	1	1	8446	1	13224	8793	8962	7111	7304	8138	13703	12588	1	7871	10587	11804	1	1	1	7616	6389	6228	8782	7388	8687	8051	9311	8016
301.0547@3.3398836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14008	13856	1	1	1	1	1	1	13799	14015	1	1	1	1	1	1	1	1	12573	11955	11022	1	1	1	26872	21899	19204	18784	13464	15826	1	1	19565	18786	15691	12758	1	1	23631	21197	1	1	9865	1	1	1	1	1	1	1	9350	9889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7845	8217	10615	9498	8731	1	7787	1	21812	22428	7403	1	12093	11461	9444	10209	9411	9035	1	1	20574	20499	24155	24826	8154	7976	25400	24159	23501	25702	1	1	23522	22580	11350	9714	14503	12387	1	1	16192	16216	19549	21538	19309	17165
611.3427@11.365998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47011	24031	302983	104673	20252	1	14982	14864	1	1	1	1	1	1	1	1	39257	1	18894	1	12623	1	31197	13490	1	1	124633	17583	1	1	32745	16698	1	1	28647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
139.9223@0.86933476	24467	25288	23616	22319	23539	23110	26848	23737	28926	25976	24314	20574	29145	23636	27700	21963	29478	29163	25160	24431	27426	29550	25678	22948	25963	25021	21963	22550	22996	25064	32394	30687	28311	22170	25238	27843	30166	32109	19537	23585	28637	32713	22883	27512	28024	26696	28402	28019	33065	34617	17882	18825	28675	28324	34035	33369	25590	32541	105048	104822	111268	115693	67728	56941	136351	137457	139406	142151	134352	133369	53995	53145	67643	68191	123789	118650	126647	164180	134664	134537	69868	59430	72397	73675	127976	129271	39372	38289	45241	48838	48168	44494	58099	56269	44873	50667	55584	60692	119653	107981	65242	65320	87022	92649	93897	93445	138959	137603	94065	88960	108268	101722	94774	110177	156911	159982	184882	180521	119184	118545	175656	176394	182731	176306	166240	175140	167000	171050	161237	162206	179100	169289	163762	165092	172569	169483	187840	186003	177147	173006	183742	182909	171439	178709	203092	199293	174836	176544	210885	204844	186632	189982	189205	186990	102297	104279	189986	191773	120230	119673	165157	175501	191087	198002	75128	73002	88301	88650	75723	73325	137319	131437	69932	71562	89000	91809	139501	134708	99252	103166	88755	91314	101045	97978	83057	82260	73386	72183	97727	96203	80846	75881	87722	84611	103964	100081	79273	76082	104272	98561	88837	85755	173689	164432	90998	91126	82192	75696	86851	85878
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651.3752@12.163198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37420	1	17083	34663	89854	12486	67786	50041	1	1	129380	37708	118938	18501	22622	1	1	1	1	1	252719	84458	960710	409858	124358	34625	23668	50075	37002	1	24527	41385	32730	23941	1	1	178019	24302	142799	19291	81299	21102	163296	87516	32282	20450	244335	128099	1	1	117137	105650	1	21544	1	27439	77378	93432	103937	114442	113544	90351	100649	110477	35210	41544	110023	118910	159190	111585	248624	74773	113835	107237	280818	220508	103606	110643	68462	56925	151525	138135	160479	283027	149163	160138	47784	48245	134654	157864	38215	33297	120633	131384	71847	95962	328281	158543	42517	44529	173531	158677	200630	212548	63752	61999	55799	61933	46057	44292	58321	1	26574	27769	29916	19231	232417	164295	31202	36024	16255	1	44197	27721	37309	28867	33174	1	128673	41401	29186	24200	47354	48237	39148	1	22211	21826	37353	1	19000	18028	204362	27994	1	1	55675	45214	115106	161092	94405	18087
383.8465@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78518	81843	65041	75590	68264	60895	80558	78667	85332	90587	67810	69475	48227	60344	55980	51271	72183	75340	83526	91951	82061	75073	46525	42987	69268	65826	57698	67626	29898	28297	37089	38675	54870	50839	43141	37292	45500	46146	58783	59108	78149	67767	60197	58532	67940	68039	66282	71782	75663	79451	65877	63273	72052	71329	81808	76489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
671.0357@0.8929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17457	16398	1	1	1	1	1	1	18144	19661	1	1	1	1	1	1	1	1	13681	14433	11098	9344	1	1	25106	25981	20990	20617	17209	16072	1	1	23073	21490	16051	14096	1	1	13440	16276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74576	73351	63761	64660	50731	53269	68794	68077	69402	65431	58198	54990	42990	44859	54139	47977	67242	63904	62943	44410	42655	48621	31501	36932	51941	56660	54121	55018	27451	20105	37037	37590	37129	36331	48580	38948	48084	47756	54884	54067	72287	78923	66675	57491	74723	81574	78358	78151	61478	57785	75319	78236	77847	71726	57789	74216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Oxalosuccinic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14177	13800	17862	16737	16501	14615	10344	10341	14254	14028	9654	10294	29185	24745	10141	9964	11675	12831	11270	9037	9407	9770	20432	20522	17215	15715	14688	17571	15055	17936	20709	20218	21692	21164	15409	17002	15018	17353	21353	21997	11078	10433	16976	16654	13908	16313	14973	14474	9669	10493	20518	20415	16354	16288	22654	23523	6808	7758	7625	8092	7207	8113	10894	10544	1	1	9590	8255	9997	8375	8461	7381	1	1	8192	7940	9507	11074	7595	7883	9693	11294	8761	1	12514	11418	1	7722	7923	1	1	1	1	1	1	1	1	9503	1	1	10564	9747	7764	8111	1	1	1	1	1	1	1	7797	1	1	1	1	1	1	1	1	1	1	1	7489	1	1	11189	10093	1	1	1	1	11729	9972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7122	14298	1	1
128.0115@1.0242891	77340	93796	25228	60878	40201	1	52964	69475	52016	23352	1	1	52911	51534	68158	80885	1	39377	62787	55739	1	40812	125626	116601	27484	7475	68407	1	53248	84805	15868	1	25202	1	1	1	1	1	1	1	1	1	1	1	17834	29633	42517	1	1	1	1	1	1	1	1	1	11250	33287	1	57078	1	40746	208345	209503	50842	48683	61882	33106	1	1	230279	231304	17367	44483	24336	1	24783	39038	11260	46450	110383	132557	94863	83274	41110	10001	586948	597889	195532	228924	269535	268030	1	35058	401936	387441	57550	107832	12304	36418	122118	82949	42102	27826	71962	54195	1	44002	23315	39953	69079	34262	138122	110467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
737.7034@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18093	24933	16274	16016	32422	25526	22066	17110	15266	12735	17530	17604	31506	28039	15068	9934	17410	16845	17808	23697	22789	19293	23953	27554	32643	18072	17598	15955	29193	22969	28172	30128	26823	31616	14293	16770	28873	30868	23919	19256	20023	17921	27783	32017	19426	21304	14355	23085	14667	10299	16805	15445	15080	10248	19829	22988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
533.932@10.806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22382	1	1	1	1	1	1	1	28279	1	1	15902	1	1	1	1	11926	1	15808	18555	25589	15248	19425	16041	22924	20411	24238	16527	16671	1	1	1	1	1	1	1	1	1	1	1	29900	1	17580	16245	18228	25308	20278	16262	15881	1	1	1	1	16620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15422	19025	1	1	1	1	1	1	1	1	1	1	1	1	29905	13801	17593	13385	1	11619	1	13800	14958	15851	21246	21069	13884	12484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.050216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	310762	220394	112080	257831	98885	266846	85792	273197	194083	77441	220239	79740	96943	235061	173658	154493	149187	148117	155777	134985	291950	33749	74221	281660	240100	172931	189891	165265	55228	142755	143332	168214	161049	40566	146650	162121	382173	158611	43228	148126	1	163183	208630	12295	147426	183279	227585	45049	72047	153763	174255	58216	94873	137352	130112	1	86674	89460	93553	89798	85905	90112	88683	50987	88538	84969	132034	91915	94752	95930	105679	90220	93347	136850	95551	57162	35409	94598	80132	96273	94201	93220	104550	102269	131521	95634	88306	89939	95590	89009	82497	81635	86426	96303	86033	84361	94293	102877	97474	84734	63284	101975	104173	89892	94703	85445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
968.2928@0.84400046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12582	14778	11565	12976	8465	11393	12325	10585	13637	14409	16702	15529	11859	8854	21998	18099	24271	20232	19286	7377	1	1	7503	8859	9075	1	15601	14949	9729	8482	11880	9070	10393	16060	15804	18422	15806	16812	19700	18692	22239	20801	19464	20329	22722	20926	19265	20192	22500	24783	24335	22567	21024	20778	27871	28355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1087.7334@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22870	24163	21665	25910	23089	22601	21973	26825	20219	20641	18704	18426	18968	18074	20669	23017	27119	27844	27164	18149	13461	13619	12473	12300	17075	17060	16271	18574	21002	17075	23232	22711	21900	21320	22904	17928	23219	22593	20048	24470	26099	31376	34434	25287	27943	29797	30325	28576	28784	27131	24074	22733	28142	34173	29245	25922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
332.0028@0.9090002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20989	22063	1	1	1	1	1	1	15239	18362	1	1	1	1	1	1	1	1	15598	15331	11492	9727	1	1	32713	31085	19864	20385	19302	16509	1	1	16714	17213	14210	13665	1	1	13303	14234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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645.8533@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14726	15517	11796	16460	14707	11678	17438	13219	17097	13860	14072	17770	14388	18049	21295	18539	21109	24394	18615	8918	1	1	12160	14208	12098	10936	16472	14958	15757	17901	20959	21699	17111	21045	14351	14017	20625	20136	17347	23204	24258	21423	19050	19359	19337	17712	18270	19267	21718	22859	21981	17923	21380	19802	30242	21089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.241004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53489	55788	59454	58094	44521	67913	53795	75935	55925	64066	54447	65493	39695	63115	22583	25688	24110	26701	26078	30552	13244	17258	1	1	1	14802	17542	21030	28798	20852	13015	25991	25900	19581	29436	26096	14736	23306	15825	21830	28389	28724	69731	22183	28750	27581	1	33765	28576	27255	17179	21845	24578	22215	1	21866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C45 H89 N3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29617	27399	20210	21705	32578	39852	29875	27631	26661	29639	22822	15229	37599	42184	16339	13037	26604	32745	28766	25208	28497	23573	25595	22507	26026	25417	15976	17751	37041	36146	30251	31749	25654	38007	13812	14849	35749	31874	23013	33620	20338	28238	26331	24210	25767	18066	24491	24173	23687	26275	15496	16746	26498	26380	30031	23880	35114	38393	46176	49039	46265	45954	42728	47072	46419	47964	44133	43199	43744	40801	39573	37703	47881	41777	37817	39892	33542	36875	39674	55112	38347	38923	45815	49373	41746	41878	49845	53164	36696	43762	52342	53305	49593	44867	50547	42967	27918	26078	45660	42976	45326	32742	41941	42837	36876	40142	21694	26696	27251	27632	22326	23392	30283	34695	26916	28346	31326	26963	32149	28785	28673	27260	28976	26021	25750	29178	23889	24560	28053	31341	28102	27237	18865	23822	39421	30062	25926	27863	24691	28533	29748	28913	22481	19426	33103	27767	22897	25841	19760	17095	21765	23992
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C21 H2 Cl3 N5 O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9693	9728	16820	13011	33766	32524	8121	6830	8820	7795	1	1	32898	36856	1	1	6632	6336	8227	1	14428	14575	28275	28361	30880	26499	1	1	29204	34701	29859	25024	33711	28243	14679	13253	31170	27419	25355	28695	1	6395	26963	23952	9289	9943	9287	12148	1	1	11890	11843	6931	10580	12451	9502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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242.0344@0.880632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16094	13440	12279	12826	27846	23988	14804	12417	14403	13472	14713	14018	37117	38802	14508	10872	14352	12197	14030	13112	11397	12589	33712	33972	26823	31093	11012	14209	43437	46336	42575	40263	34883	38954	8197	9402	34859	31356	35793	38643	19274	19417	31211	32428	15963	16863	25544	22884	14538	13864	20051	21159	22382	23746	82574	35695	10960	10485	9447	12167	8304	12132	9846	14667	9749	10632	11404	9502	12149	12402	10884	11896	10871	13434	11788	13259	12465	9853	12035	11037	13659	11892	10265	12975	12825	11638	11249	13583	9881	10264	11799	9800	10729	15031	9310	9857	7901	13938	9194	12518	9191	10910	14314	10814	12593	9919	7198	8308	9724	10540	7450	8145	7905	10701	10437	10256	7874	9565	12404	9315	11837	10396	6580	7621	7867	8761	7486	9615	11220	7277	9287	9484	11878	10009	10146	8916	8668	9743	7468	7660	8575	8398	9626	7107	7737	6255	8972	8461	8924	8159	10573	8792
360.9555@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39692	52797	33230	28781	47382	49802	40762	38345	43219	46175	43168	47262	58277	51287	25747	30204	47215	44188	43838	43797	36802	29714	33157	39375	45877	48597	46087	45916	37712	44870	33125	28374	49969	44958	17152	14282	49434	44548	47289	44045	32923	45956	44822	47320	34904	40044	40758	42059	54330	55789	29949	30845	44752	45358	54946	50237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Idebenone Metabolite (Benzenebutanoic acid, 2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-)	7029	7045	9433	8116	12087	9001	8478	9347	7721	6705	12415	12443	11433	10993	6691	7283	6558	14544	12453	12054	9610	8912	6068	7365	6798	7027	7738	6397	8459	9240	11747	11820	12647	13061	8142	7021	6342	20680	9167	8669	8984	11317	10303	6414	17581	18390	12219	14172	13543	12796	7839	7607	6956	8274	23595	21686	12271	12194	9073	8498	12199	11831	16518	14235	13468	10943	17702	17443	11185	10685	12578	12529	10526	10895	13512	15988	9599	7978	9392	9517	1	1	10071	10041	10286	10632	8749	8488	9296	7139	9257	10289	12571	13297	11189	5773	12309	5616	25606	20152	10595	10153	17716	16609	19894	20725	5792	16696	13928	13337	25373	25269	23908	22096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.9009@0.85484153	67978	63690	69462	71288	46707	61524	67982	74602	70248	71097	64327	63391	65797	60394	60578	62039	71825	72831	62812	61270	46837	38119	71810	65409	53226	67567	52976	53666	63403	71531	40543	38066	40107	33076	29905	33765	33289	37919	40683	28134	37696	37987	35465	26303	28711	23481	32619	39551	35230	41874	21337	20054	36403	36681	40903	41366	28173	45838	28027	28066	26673	24055	21077	18069	32087	29500	27568	27381	26224	17865	26636	23991	16706	15751	24260	19486	23246	30219	23925	19553	17961	17360	20473	22521	20943	21746	22742	21923	18584	23599	19554	24312	18050	13765	22837	27365	24089	32005	25261	23421	22296	23271	21544	24983	23858	18506	25742	25113	19800	18679	24597	25731	30886	28169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3'-Deoxystreptomycin 6,3''-bis-phosphate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19905	21186	11137	11646	23915	19073	8107	1	10655	10430	1	1	14721	16563	8293	9949	14201	13101	7330	9390	11956	11877	1	1	14972	15752	1	8642	26800	25664	25270	22517	7118	7707	1	1	14024	14814	17723	16896	21546	22927	25952	26886	7373	9240	9660	11235	1	1	26588	25707	21750	22449	17668	13849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
427.7228@0.86646473	43418	42749	37337	49265	43141	43612	36415	39978	40368	38942	39150	43567	44797	45262	37676	35032	42498	40078	37654	37924	40219	35189	37019	37080	38041	43128	38855	39987	43078	41752	15038	12530	13960	9637	11740	12690	12946	11295	20794	11501	13366	9858	12482	10813	12028	12216	15069	15609	10135	11117	1	7383	13910	18246	13870	10487	13504	12269	33714	29418	32909	31016	25921	18968	34080	35722	39282	37984	33208	35258	18893	22193	19960	18257	26689	33049	25572	34389	32348	35661	25471	20252	27561	27696	37180	31213	12544	14670	16270	15692	14430	18077	21269	17654	17366	19218	24131	19687	34077	31262	24710	24000	29466	31672	33026	31489	33662	27831	30454	32582	35457	32131	29522	29757	11912	12078	14029	12719	10814	9765	15033	13734	11276	10120	15608	15118	14325	11772	16044	14052	16682	11525	14371	17067	15906	16686	14290	15851	14893	14615	16425	20044	13221	15403	14512	11878	12660	13475	13735	13064	15569	19928	13742	14426	11150	9754	12629	11774	12418	10424	15360	13916	11182	11519	10468	9285	10217	9375	8063	8959	7482	1	11125	11537	11351	9308	11507	11198	10947	10647	10090	9221	9797	8961	8250	10905	13197	14171	10681	10386	12867	10031	12524	12884	10481	10283	10894	11602	11357	11008	9688	10236	8076	9320	12130	9754	10485	9175	11634	12446
> limit nullnullnull 11.898993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31312	46446	271029	323208	128722	110161	110484	135661	217267	253078	114463	32876	121620	125181	75282	67224	20989	85888	37882	57126	45084	37482	63836	1	19896	148817	40203	65681	43802	68575	63895	53948	51790	55781	65088	158741	49334	46656	52993	141453	54773	39710	44005	51677	55186	167720	220202	69933	79484	73680	66116	49372	183323	61849	78410	68032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10579	16060	15295	24825	26461	33658	12880	13154	15250	10472	1	8962	32945	36133	1	9780	8308	14030	11949	10983	13071	9837	24186	23126	18516	27726	10271	10827	32816	39265	125394	31847	26257	32085	1	1	24312	24243	50014	19129	7312	1	16177	20331	12532	9059	9249	9248	1	6813	1	9453	9987	15766	14629	8773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.0888@4.1155386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47455	1	92950	49344	34721	69010	66556	64590	78163	168104	1	21363	1	27553	1	1	1	1	49956	159850	64619	74278	51944	48230	102507	116253	36775	40593	32134	40048	1	1	98108	29064	44500	73811	46507	54671	1	1	31066	78304	1	32315	1	36220	1	1	1	1	1	1	1	30311	1	24775	1	1	1	31771	28716	1	1	25441	16826	1	1	1	1	1	1	50414	1	1	32982	28592	1	1	48792	37426	1	1	30321	44072	38094	1	1	1	1	1	1	1	1	1	1	1	53465	1	1	1	54482	32996	1	1	1	1	1	1	1	45983	37676	49049	1	1	1	1	1	1	1	1	1	1	1	1	51480	1	1	1	1	1	1	1	1	1
C20 H4 N O17 S2	20104	19371	17915	17987	25561	24868	19082	21287	19223	22805	24192	22662	22839	21061	21301	19599	19795	19271	21551	24059	26148	24799	13135	15793	20428	25092	19612	23886	17461	17746	38318	44155	43302	40673	45816	41114	44227	42888	42618	41370	41526	45342	42161	41119	43605	39880	41026	40149	41133	45017	37063	36632	45582	47582	49885	49977	44589	47894	18794	17598	14317	17348	10380	1	20919	23737	20688	23564	16030	18556	1	1	20981	17965	22877	25836	19996	19252	12639	13672	1	1	9997	10347	17351	19607	1	1	1	1	1	1	9555	10783	1	9188	10331	1	26746	22967	13686	1	19414	18656	21449	19428	27590	25920	18629	18234	20112	23473	25638	24398	29812	28774	29635	33587	25987	26115	29804	27609	32812	30924	30260	32034	29874	31582	29044	27988	30239	30157	28152	29043	27383	28965	32067	32658	31086	32210	31875	32868	31737	30059	32873	34485	28938	31216	34872	32414	30392	34795	33385	30689	21470	19398	33769	34495	25650	26574	29913	29877	30013	32639	22563	19323	23278	23213	20843	21643	35168	35334	18616	17049	23953	24868	33362	31978	25558	25729	24007	21455	26204	26537	20344	18343	15735	16123	26067	23058	19012	18748	19991	19307	25206	27903	19765	17922	23698	26477	23248	20199	40593	39535	22666	21826	18377	20733	19949	15572
329.1653@8.925002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11641	11136	1	1	1	1	1	1	13517	1	1	1	24407	23942	1	1	17232	17981	15351	18541	16016	16172	1	1	21707	20317	28053	30870	1	1	19896	20656	10818	1	1	14214	1	1	1	1	12500	11179	1	13664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
707.73@0.87428135	78020	79797	67932	74951	74301	68709	59714	63493	90590	83085	73477	69187	84409	78963	39684	39393	85532	94293	76760	67725	62073	60524	46094	56504	87406	82594	67705	62811	52425	62973	87731	87339	113602	125152	100301	94404	108580	101285	68610	70177	100855	96715	59696	57284	38640	35963	53283	53335	68175	69165	27444	32923	66299	73098	108872	116776	131829	139291	27834	39080	24123	26555	24225	32112	33955	39232	30195	31814	34659	28333	42125	46804	25399	19164	27049	33753	30381	34005	33451	23159	34881	33312	23908	28752	28906	29764	46538	39684	34495	29213	33672	32586	25341	24174	36143	37210	32627	36571	25940	25971	30271	20192	18318	25499	24266	30156	26534	31448	26021	20232	28314	27649	24369	34472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
388.0325@1.5629998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27533	25828	1	1	1	1	1	1	1	1	1	1	22171	22561	1	1	22496	21657	1	1	1	1	1	1	12307	13116	27911	27375	1	1	1	1	1	1	1	1	1	1	11864	13808	11387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
523.6979@0.861982	24284	21938	20824	29839	29023	27776	25323	22076	27944	26926	24408	22743	29326	23845	22272	21164	24010	25673	23406	24905	25843	24492	24916	20076	23276	29371	23344	26698	20581	28074	37887	32612	34952	40221	33874	36295	35900	35523	32775	32349	36617	35448	33169	32429	32519	31993	32807	32817	36650	34053	14287	18496	29730	33565	40872	35782	32434	38013	20606	20076	19912	21094	20550	25873	22155	24466	27227	25072	23659	23349	24661	23394	13970	12465	23945	22901	18022	25746	20789	19694	19293	24526	20222	19942	20304	19646	20715	19180	24892	20656	18759	19840	12234	12198	19357	20322	19759	22513	22213	26363	18611	21899	21189	18090	18604	20100	27034	27486	17717	17047	16308	19454	21661	14856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
337.8019@0.85415727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16098	10684	15909	18512	19047	18433	29437	17133	15775	11081	7338	10396	24778	21312	12148	11538	16243	18023	18676	21636	13818	19833	15336	11637	13379	16162	11877	22250	16129	20097	15303	12263	14784	18246	11367	7540	19062	14539	11932	17106	11847	19767	14486	14134	13489	15076	17653	19391	18069	18120	10231	13751	16836	15857	10628	18040	46458	48843	51160	47960	34099	36148	50754	48202	51561	53298	47497	47971	47989	50948	50888	50510	51322	52908	48090	46723	50801	48519	50725	52956	49047	50406	49477	48991	47552	46153	51863	54796	49658	49742	51345	51821	48445	49763	50147	52116	31555	31273	54272	55705	31695	33705	48797	45126	56689	52578	24620	19342	23573	26039	21310	23560	40809	36666	26221	23483	26826	24201	35265	30969	28249	33035	19130	23084	31310	36984	19583	20215	21459	20273	26061	27739	21502	15810	23534	24222	31426	25647	20805	18782	28308	31709	19982	21063	40062	36399	22554	21114	18328	19293	25743	22834
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409.2299@10.24993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12659	11340	1	1	1	1	1	1	1	1	22509	14612	16032	11872	1	1	1	1	7964	8972	13464	11062	1	1	12323	8927	17048	15017	1	1	1	1	1	1	1	1	1	1	12298	13551	12465	11668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17151	20414	30857	30273	1	1	1	1	1	1	43740	37593	64713	61832	20307	17255	61444	60373	1	1	113002	108003	1	1	24837	23473	118775	121223	9473	8985	20712	19742	11126	9828	17329	17050	212171	128576	1	1	178509	152401	274033	322062	54766	49563
651.6411@0.8656925	29071	28318	35077	24970	29321	28506	31769	28266	26773	32447	28130	23633	33065	26012	27966	22800	30858	28911	24877	25923	21752	22817	26416	35819	26574	29356	25457	23905	25488	27822	19401	18792	25249	30469	26859	21744	19777	27199	20611	27517	25513	25807	22919	22904	20526	22436	24550	25533	20409	17537	7576	12089	22099	25151	14336	12928	28603	32017	28572	26039	25902	30693	25414	31108	25632	33979	32937	36571	28575	29306	19960	17753	20114	18032	28142	27855	32973	34806	31531	30776	22607	19672	27329	26825	28246	29010	17376	15500	18612	22517	17534	15660	16946	18301	19187	22741	21882	20986	30295	31028	27044	25640	25721	27379	25506	28988	32026	32339	30704	27782	30108	30254	34226	33787	12361	7898	13656	15112	7955	6938	14388	11998	12842	10554	10854	13447	10457	10956	1	12998	13652	13917	10099	7033	9850	12524	12057	10924	9868	11789	12516	9408	11035	10788	16888	14726	10580	10861	14449	15048	13347	11384	14033	12580	7793	5950	14539	11031	1	8482	9962	11639	10410	11732	1	1	1	6901	1	1	11690	11574	1	1	1	1	10993	8382	8466	1	1	1	7874	8582	1	1	1	1	7168	1	1	1	6675	1	1	6880	1	1	1	7590	1	6834	12711	12789	1	1	6447	1	6163	1
307.9436@0.7911254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21395	22718	17745	16321	24566	20435	20918	22436	22827	22371	21496	17771	20251	22361	16762	14162	22402	21640	19964	19662	14435	16035	1	1	18397	20381	17680	21596	23084	23839	17496	20084	22221	23092	7883	16239	23310	23353	22760	23388	23186	24404	20648	23478	20592	20633	22073	19849	23725	20867	17723	20953	23675	23620	19100	26744	39280	39009	42587	45331	42869	41075	42802	39444	38144	35235	14928	32244	36782	38523	31909	29425	34845	36442	33770	29801	34264	31294	39605	33380	33172	38425	36698	36406	32719	32454	35264	35661	35433	32688	37173	35749	37266	39372	32387	34737	15895	14621	30021	31697	39303	35492	18190	29697	27996	29248	9941	10545	12307	13147	13309	15799	24923	23376	12403	13661	18259	17883	14062	12311	8187	8394	10450	9162	8510	8586	8320	9148	9772	13955	12244	11872	1	1	18199	19164	8683	8633	10067	11070	8638	8528	14306	10413	12718	11222	8036	8235	1	1	1	1
842.9213@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11582	13903	1	1	1	1	7427	7300	21191	19618	1	1	1	8076	1	1	1	1	10711	11468	8420	8167	7509	6671	28009	26828	21329	20845	19667	17812	1	1	23433	23060	14593	17077	1	7824	12456	11867	1	1	1	8620	12211	12666	1	1	1	1	9146	7373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
722.3489@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10651	11085	12811	12414	8648	9330	9971	9671	10389	9931	13917	15271	5901	8733	21595	16169	20472	21194	12439	1	1	1	12377	10537	7324	7801	13121	12690	26162	7615	7628	9260	7096	9893	12369	15324	10647	14307	14863	16989	21499	20315	14671	13393	17177	19074	18497	18927	19491	19508	19791	17902	18551	18345	26179	17185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
591.5502@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9372	11010	14169	13233	13336	8224	12568	11191	9240	11988	13695	14986	9376	9952	10782	12632	17104	14780	12598	9585	9083	9932	7138	7938	9210	13396	13999	13354	7286	13490	8097	7333	10440	7729	7968	11640	9913	9960	9983	11273	15259	16879	11279	12114	13171	10960	13462	13685	14825	15448	15719	16300	14177	14326	19310	15638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
730.7724@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26091	28133	26483	30232	31483	26156	20869	28580	26037	28261	18007	18812	25838	25427	14752	17504	20231	17604	28365	26845	26253	30455	21752	23015	25509	27030	19155	18305	30105	33345	27842	29219	30558	23360	20288	18292	32765	36442	31504	26350	18723	23656	28595	25239	23133	19809	22216	26627	11618	9550	18198	23280	22924	24114	35396	23094	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
312.1113@8.106533	56848	67471	70795	75303	30300	30967	69892	64873	61543	61148	36923	38403	47232	45110	40261	30453	59616	76694	42875	41718	46350	48343	74937	77004	38242	34616	48492	47790	91314	88634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11972	10663	11223	9458	25041	24569	1	1	14579	14674	15445	17076	9882	8423	1	1	9638	11044	21659	21530	9624	1	14552	21627	1	1	10643	10128	1	1	11158	8506	7333	1	1	1	20707	20405	17486	16008	19691	20904	11665	10545	9487	9745	14594	17916	23334	21416	1	1	12124	12797	1	9317	28068	27392	19356	21157	16435	13744	16558	15010	12456	15325	13778	17667	17539	17914	12582	13080	10746	1	9231	1	29018	28402	8862	9471	34630	31851	16184	14074	11680	12602	1	1	1	1	43629	42689	43263	47415	26574	24028	1	1	33339	32615	1	1	7199	8377	1	1	39670	36895	41575	39228	1	1	23185	26325	20048	20462	1	1	23456	20402	1	1	18300	16281	26994	26062	8611	9051	24155	22135	19439	18186
C10 H16 Cl2 N2 O9 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26235	23679	21958	22881	25826	26705	24344	28433	23072	17658	19263	24331	27448	27728	25321	25687	32916	31047	22526	16170	20855	18152	24177	19285	19296	22405	15239	20795	20847	25393	25309	21510	20695	21853	8264	12459	26727	29517	29816	28238	32278	29719	24213	26848	30628	33935	25056	34846	27151	24507	27778	29826	23413	31663	39531	28078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.6247@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18799	16974	20495	26618	28749	32609	20594	18080	19861	19328	18718	16003	30846	31321	10572	10896	13368	16576	21230	25381	25352	22717	28529	22683	25445	25322	17363	18279	22742	23012	24983	20364	17642	24343	13421	12151	25561	15880	22154	20383	15666	18612	21779	20169	17168	17990	21136	18962	14945	15028	19364	21273	15222	16401	25962	21844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
934.302@0.84400046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13008	10314	14768	16720	10827	10132	11116	14819	15425	13719	15847	19953	11790	9099	20419	24662	19838	20880	15486	1	1	1	1	7939	11032	12878	17876	15952	8094	12594	13309	12589	19106	15745	17520	21025	20813	19854	17288	21739	22484	23000	21690	19651	21248	22024	24412	19879	24748	24898	21761	24054	19418	20255	29465	24505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
7E,9E,11-Dodecatrienyl acetate nullnullnull 8.700996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14445	14096	12331	14276	11463	14315	15301	12373	10392	11718	14081	13567	15404	15385	22576	25408	22110	26360	21027	25372	29700	27083	28102	30212	36817	30055	25331	20800	24601	25847	23386	26802	20595	23682	15896	24923	35416	21063	28777	31073	24525	28147	25389	31585	24437	24979	27694	23442	26997	24151	28864	22680	24814	28222	1089870	30107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.940998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	393623	291880	76429	69848	63237	82075	141712	28444	80158	155816	55809	59844	181361	88525	87523	83926	59294	84156	37674	55876	65126	108450	1	53665	60406	73897	74941	108057	51423	57307	66254	63973	55415	82310	66367	68745	80281	83102	75525	63925	86699	81963	67716	59466	174628	63418	55269	72420	27504	81982	61723	83468	61526	80720	113423	77855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Arogenate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34488	29885	29498	27899	25836	29137	30251	29695	28096	25661	25827	25515	25564	24759	24138	20165	24811	24963	25067	25377	15656	23004	26513	22891	23771	24494	23594	20287	23669	21864	23060	20441	21067	18945	19871	18469	23025	19534	23066	20673	97587	23690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29184	35143	30600	30624	27537	25987	39271	45393	40316	40574	35445	36527	22108	14881	22459	20036	42399	42190	45139	53122	38319	37130	19213	18825	27249	25847	32441	34611	13323	15636	18124	17093	16602	13846	16547	14915	17960	16392	21612	28582	36148	37417	28793	27636	29994	29624	33129	34263	40704	41295	27348	27089	36806	34687	36451	37978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
536.719@0.8710186	21708	21392	18717	19608	22213	19613	16282	19248	21866	21497	23622	19665	23867	21395	18100	16629	22090	21466	20371	20074	18975	19423	19597	20132	17871	26920	20856	18394	18632	18259	23055	21980	26347	28043	25158	24742	25723	23511	24084	23481	32493	25492	22474	22228	24681	23069	25158	23232	16859	16716	10541	10409	24702	27283	14632	14080	37550	31834	25145	25322	25665	26159	16757	19646	32449	28851	30469	28103	33384	30938	16799	20581	18044	20792	33343	37131	31629	25980	28350	23064	16188	19493	18862	16134	29297	26406	18067	14098	13560	12944	13981	10467	12698	11576	13739	16508	16826	19247	27525	30384	15308	16056	27017	28019	24564	30570	31799	34448	25451	27964	25294	31512	30936	31162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
906.3686@0.98300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8919	7952	7348	7066	19178	16323	1	1	1	1	1	7795	23831	20222	1	1	1	7301	1	1	9506	8609	16410	15852	18327	17937	7295	8216	32114	32154	25155	26136	19621	18255	1	7347	26039	23329	22437	20888	6704	7162	22535	19627	7794	9703	10225	9184	9659	8654	12023	11019	10015	8689	14673	10958	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H6 Cl N3 O9 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14195	12748	12433	13649	21971	23111	9907	9510	6971	7983	1	1	35235	31056	7930	9855	8236	9058	8499	7467	8441	8107	23693	23654	21348	21121	1	1	32983	35271	28864	28265	30226	26905	8807	11184	32552	33801	29456	30259	12879	10670	25337	26454	18076	17564	16455	14924	1	1	13864	14259	14653	11902	22058	15485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
297.9438@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	247220	257000	245290	253274	383773	393017	208348	210686	215627	216449	197200	196682	363184	353130	340267	340533	255945	248336	231967	139630	145726	160620	236390	254751	270376	296124	183381	187670	381040	382637	414784	441864	430975	453828	507248	523406	551197	550071	513297	498845	301367	292550	511543	505867	377112	365532	374519	383182	218441	216128	362151	361731	322082	329981	529942	411204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
233.0673@0.92900026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7949	1	1	1	11867	1	1	1	1	1	1	1	17473	19198	1	1	1	1	1	1	1	1	14288	18782	14689	28610	9501	1	29022	31545	16428	19395	27749	23236	1	1	24321	30277	21443	18831	1	1	9668	13377	1	1	1	1	1	1	1	8353	8311	1	21156	16448	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chaetocin nullnullnull 11.861001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	134268	94404	129165	151461	141993	35286	139689	81283	36056	121261	123004	126306	111398	104964	70214	61571	62994	70877	63187	67654	84592	63992	133370	86173	87624	70117	63710	68607	65511	20861	53669	62461	53691	61948	59599	66159	81018	53184	57632	75918	74072	65218	62297	77778	78177	72123	108632	25491	63655	61980	87373	64707	60845	48351	119783	36695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.7339@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10078	11755	12149	9853	5981	1	18012	18992	17826	18969	21762	20666	1	1	11584	11743	20651	22547	16535	17591	13453	11126	6361	1	10139	1	19003	17265	1	1	8999	9762	1	6375	7900	7089	1	1	9107	1	19045	19844	7956	7317	11840	9514	12166	11103	26877	29306	11393	13094	12931	13957	11049	12627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H2 Cl N5 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18412	17504	16203	19733	22077	22800	13556	14369	19108	15159	18544	14797	24469	25442	12585	10850	14066	13206	13531	10570	7510	12648	23213	24973	22237	26390	20357	17574	19119	18571	16012	16310	21884	22009	11776	13590	21336	21529	23755	24027	15636	14555	21058	22040	11638	15565	18530	16810	12763	13915	17569	17602	17721	14797	21296	17878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.833993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22287	28752	18547	22381	14169	20286	26430	21720	19208	21343	23040	20603	23731	17354	1	15720	1	15632	1	17552	15531	14972	17455	1	20611	1	16559	17370	15034	18022	1	1	22287	16094	23929	1	16281	1	25414	1	17049	16224	1	20078	1	15311	18112	15585	1	1	11687	19343	1	14891	39611	15735	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.6694@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29602	23136	23778	33453	24766	37898	13830	24952	32650	23769	16499	20382	25197	26011	12475	13089	20462	16968	21807	20866	29413	32784	24158	23886	25102	31028	20422	14441	23008	23321	26721	20017	22279	20732	17279	14302	21635	25319	28434	24632	19125	16645	27656	27900	19889	20177	26780	22309	14703	16262	23005	24319	25172	21923	24006	29529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
352.8855@0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10487	14683	9814	16928	14174	13280	12573	12147	17734	15311	11425	11444	17180	14712	12388	14238	15299	15579	13550	11323	1	9464	8056	1	9257	12128	12590	11131	9906	9927	10788	10219	12213	13711	1	8790	10365	14668	13222	11598	12892	12145	10899	12812	11483	10058	14646	13119	16621	17497	1	12343	14010	14535	16412	15362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
548.3015@7.708157	25095	24742	1	1	1	1	10340	8928	30643	81880	1	1	11279	12696	20266	18780	1	11635	7589	1	1	1	14624	14827	1	1	90530	92355	17606	17139	86068	78982	24522	24083	58107	57309	77705	70053	107479	105189	63945	77303	25024	22590	144653	142889	51528	57864	22108	22708	1	1	78517	65269	1	1	24548	23760	1	1	1	1	1	1	1	1	1	1	1	1	8407	10769	20835	19310	1	1	17402	17721	13664	14676	1	1	1	1	1	1	7878	7923	10979	12697	1	1	1	1	10268	11568	8508	10676	13543	12035	32479	31465	17062	17344	1	1	1	1	7837	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.6511@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16802	16391	20729	21244	26410	20066	22309	23256	24767	27843	23677	16530	23264	22186	10972	11105	21922	27314	17665	28535	24499	25037	23503	22092	21538	18365	18066	20428	20885	24879	17531	16262	19692	22442	13140	12475	16493	28759	12791	20073	20303	17642	23836	20737	20907	16201	20753	22543	21696	20845	16048	21526	17719	16932	17858	17283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.6784@0.8655084	35548	37030	40823	39388	43405	39331	35268	35363	38059	39188	38578	36187	38457	42195	36363	36494	43219	40580	38771	35514	37900	34984	32465	30217	39244	40765	40768	41221	37375	36640	24799	25292	16827	21733	19031	22180	21416	18429	26737	22921	26317	21891	18906	21498	17812	21487	21570	26321	11435	17296	10467	8331	27482	27496	14697	12357	25435	23817	29586	32022	29554	29653	20388	19184	33900	30506	37269	37157	33533	33187	15968	17372	20540	21128	31415	30935	30801	33683	31833	33220	20257	18786	22363	25500	33041	31867	14029	14750	15367	17126	14128	15864	19308	17856	15528	17481	16659	18703	25812	30952	19959	21409	26389	28571	25864	26874	29985	26708	26811	27407	29071	29169	25350	31322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.193@10.016003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17430	1	1	1	1	1	1	1	1	1	24593	20176	18265	1	1	18763	16284	19298	18921	16479	19640	1	1	16030	19767	22962	24136	1	1	25589	12472	9697	1	16346	9402	1	1	1	1	22755	17179	15575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
983.2877@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13344	12459	10542	12699	12542	10747	14422	10415	15057	15130	14692	10862	8954	1	15807	13029	17617	15330	11100	1	1	1	1	1	8894	10854	14161	16891	10781	7338	11784	8544	15343	10519	14711	17023	15821	16445	17809	19517	15195	15924	17749	12291	19788	18598	17896	18838	16949	17497	16326	18316	18960	18131	22839	18007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1135.7198@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21424	21003	22208	21382	23168	23115	22633	22728	24053	21141	23425	20194	21320	19156	31812	31274	23739	33722	23441	11622	9441	8720	12222	13878	14834	17234	18065	19039	21225	15222	17657	19457	24537	27824	33917	38625	28282	29552	35385	34552	29581	29102	40488	39231	35961	34367	35050	32445	22902	24348	38238	31411	34198	29154	42192	35094	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-(hydroxymethyl)- 2-Furancarboxylic acid nullnullnull 0.9840003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42986	37577	42508	47977	65337	34335	82102	76739	40883	33617	40458	26796	53860	1	25703	39086	36779	48844	65448	66962	97794	96333	99322	94553	116316	119198	73132	77489	329072	329836	105381	97996	61124	60095	22702	26280	168120	187620	116504	113249	71697	63643	156233	160726	57581	59527	1	60247	31738	33420	71542	79190	42177	47454	95936	74949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H5 O9 S	1	8379	1	1	1	1	7400	1	1	8990	1	1	1	1	1	7553	8325	9844	1	1	1	1	9263	8564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34703	37505	35960	35039	40457	35273	38406	39196	32978	37043	28154	27735	36842	36137	22148	21645	31409	30438	38894	43053	40995	40184	33665	29897	35518	37437	27624	24696	31011	31616	29603	30124	33731	33016	14057	22722	34739	37309	36844	34487	28953	27156	31396	32964	31518	29525	28728	30114	27244	31749	29796	30142	28945	31034	46556	36864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Theogallin	30258	28895	30232	35620	22074	23072	30473	30479	26079	32230	21928	25743	34294	29634	25515	24886	34917	34307	31009	25921	21317	19028	28942	31432	27279	31269	26870	31474	28309	33976	1	1	8879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7243	1	1	1	1	1	22316	20516	26114	24063	22628	22633	25615	24369	25630	24495	24399	24464	19999	23597	17256	13879	23786	24256	26709	24374	26867	24135	26962	22311	22604	24707	23249	24741	20703	21102	21906	18168	23210	22003	14795	17343	29407	24586	25764	24439	26458	24827	26802	25061	28424	27900	26875	30699	24547	24595	25445	28309	27588	29755	45728	36423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H5 N O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28094	26754	30658	58391	32233	29153	29797	62531	67203	29805	60353	58690	30805	27240	48897	45397	28751	54463	30051	60170	56096	24513	24535	23574	23979	23705	25880	50772	21582	21224	22451	22272	24880	25101	43356	40809	25309	24720	25366	25042	24479	24953	20335	24476	23722	26771	25781	25985	65848	64190	27392	26132	24297	22624	26360	26748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.6789@0.87300014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22484	21347	26711	29057	27090	25215	24324	32504	25025	30397	18643	22923	29713	25908	13411	15896	27912	26322	34156	27244	24533	30079	31033	23678	30688	27778	16880	20492	27699	25180	24771	21242	16274	25462	16313	14865	17021	28899	16257	27038	23819	21659	27072	24829	23204	25265	21611	22773	23985	23187	24135	23219	24507	23184	29575	24344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
470.188@10.208003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15598	17287	1	1	1	1	1	1	1	1	13166	16160	21589	20004	1	1	12283	11282	16596	16782	10582	11314	1	1	18233	21054	25475	26528	1	1	16729	18053	1	1	1	9508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.1307@13.391999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12445	1	9598	9557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12802	14628	12323	12216	16976	15629	11260	15184	14049	15382	7163	1	14665	20619	10304	14454	13996	12061	12404	12439	13098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-hydroxy enanthoic acid nullnullnull 5.60066	324044	60329	363514	344107	165519	59022	156591	155151	287250	315918	340757	130789	51843	47396	175527	144883	130823	152863	292988	319365	345773	147670	160174	369797	386018	189005	392481	402825	372933	385909	183414	172018	181856	176698	194779	136405	350639	151153	164955	382200	170399	375879	351420	363081	67846	27509	361464	92785	93420	75831	416855	168063	196550	100380	421349	94343	38643	196203	92886	94031	37710	16342	91570	83925	27125	83857	108461	99301	91973	96812	88849	96955	257338	119010	126381	112260	43116	132825	269870	253501	227898	96841	15939	27741	72714	44273	38550	211366	28193	110519	105644	117161	87249	123180	138378	135013	13842	161924	138988	311685	182983	250336	173273	117860	312079	135590	330449	122028	123867	123494	134284	240834	59060	112966	65973	390748	54863	173322	350853	172013	165461	62858	172317	373208	355849	169566	115757	62378	345096	146301	173426	99759	357677	49590	249963	51415	140964	257498	354002	221075	155987	157440	104560	172106	161088	318202	47598	153412	412401	396679	391732	157827	160930	368731	184051	334446	396959	176050	182251	150491	47987	416642	402745	181192	412038	36912	184837	440209	425136	445689	89813	170998	451352	454172	90541	57756	71886	79665	166993	332089	194942	347099	154135	168442	169018	187591	175793	353636	388900	178278	373300	387411	443361	366160	417927	364651	164927	172371	165436	389132	385453	418227	197909	413307	415958	321646	173007	95165	332469	197420
177.9872@0.98305404	141324	138232	9705	124494	108985	107217	108226	111720	139302	138760	124928	121508	166230	119179	121131	97345	357415	160203	159600	119947	69094	84675	101495	105984	133799	116444	113421	105483	116205	106013	128672	127251	122446	127866	126466	125070	128046	134768	98457	97573	119569	112992	108589	111954	61502	58631	84003	77528	125578	135727	111666	97400	100775	88993	166522	161947	155467	147412	98407	99195	80941	79331	72302	61414	94538	88855	101085	95287	80653	79823	29960	26632	97545	92332	157673	151407	171558	194106	138561	140707	41775	27412	37768	126532	123357	123793	27628	25854	32435	31951	44673	39948	157198	122370	34350	39010	34182	36030	132149	130526	40698	37705	84087	79600	181446	154844	165222	153312	64989	28025	121156	120507	32312	156929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
872.8971@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19379	19370	15429	16359	17876	17309	13594	11545	12448	11575	23464	21631	19461	20134	16406	19455	17340	19412	9603	1	1	1	13481	13926	16810	16716	20386	20846	17359	19756	25379	19248	22988	26219	15035	21597	27472	24041	34805	31361	15116	13460	24773	33851	23261	28380	22944	27016	29145	22254	27956	25653	26243	27572	23637	27706	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
600.8312@0.8459827	27576	26793	23838	30680	32061	35796	21090	28021	19683	30628	36911	27947	28169	28447	23765	26967	30750	23605	25812	29581	27375	30542	14275	20183	30075	36558	27614	29566	27545	24581	34829	35215	30234	31247	30457	28976	31915	29602	28492	28154	28755	28643	28003	29936	36540	34538	30289	33965	37384	41027	10578	11749	30960	30991	33811	34178	28436	28948	64030	48834	53761	49189	31813	33628	51203	50701	59787	57318	49967	46264	40349	40634	32967	29807	48209	47576	49457	51343	50313	52291	33853	31842	41200	46876	49155	44073	36332	34638	37082	36321	38338	33209	22661	22663	47374	39469	44123	38357	49430	50598	35165	30871	50064	46219	44577	40259	40533	39008	55243	51685	47009	45650	24993	37456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.7838@0.8715186	21789	21353	22073	19212	20970	21541	23772	20195	21571	25766	22043	21615	26137	23296	21390	20104	25905	26508	22935	22654	16739	21366	24228	17454	23085	22983	20739	19758	27290	18702	21825	23348	32867	27254	25928	26112	22295	23871	20802	24354	24164	27963	18169	18315	20379	22133	23562	21329	17128	17539	9732	9776	24789	20345	16546	17439	30149	32696	31434	27660	25286	27889	25929	22956	31249	28121	33412	37660	32521	36194	25700	21216	18955	21428	32958	40894	32651	32218	29097	30025	23932	21465	24512	24272	29497	30880	17949	18321	19999	16133	21284	21750	13305	12422	18975	18960	20336	22303	30804	30874	20379	21643	25668	27542	28581	23653	33726	37651	25477	27632	30424	28291	33192	29952	14058	13944	13644	14728	13106	13627	15620	15702	10720	12704	15156	16416	15216	14261	14507	11607	15681	13982	14954	13000	10482	12783	14021	14364	14765	12790	16686	15843	15746	15691	14958	13640	14180	12726	14968	16512	14836	15038	15496	15147	8141	10425	11516	11355	13018	12523	14012	13751	9933	10130	1	1	1	1	1	1	1	1	1	1	1	1	7367	1	1	1	1	1	1	1	6865	1	8491	8623	7922	1	1	1	9144	8983	1	1	6722	7383	1	1	1	6953	1	1	7040	6612	6366	1	7204	1
C20 H N3 O3 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18113	19056	14271	14301	18238	15357	18083	6994	17378	16535	16783	14196	18561	17266	1	1	22033	22720	9003	15418	12099	11216	9478	8461	17354	12908	13848	1	15312	13963	1	13146	13949	12932	1	1	12690	14205	12996	15137	15419	10992	12428	12009	10583	11242	12380	12415	18491	19262	1	1	15517	11605	17362	14046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
399.0249@0.8929999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9233	9287	1	1	1	1	1	1	8479	11366	1	1	1	1	1	1	1	1	7247	7242	1	1	1	1	18371	15136	12496	12403	10052	10764	1	1	11382	10573	8882	8687	1	1	1	6957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1277.5969@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12835	11639	10895	10982	13823	10304	10858	8445	10681	10026	7784	10490	16505	15397	5527	1	8232	9283	12263	1	1	1	7407	8563	6647	5626	8239	6926	24589	25201	15635	16048	11687	10807	8169	7670	11969	12246	9030	8614	6894	7914	8471	10849	7777	6819	7144	9389	8589	1	9864	9961	9041	6966	1	8359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Probucol nullnullnull 9.066047	763117	780345	135270	141879	66231	66489	263900	257794	498193	484916	218106	221558	400516	385935	631540	611448	386484	289102	426570	401685	286170	291405	314752	343973	201187	201382	1510643	1493361	378967	396767	1387589	1403836	730179	722810	1385939	1387858	1108509	1084466	1850596	1857161	1896119	1877594	577894	582543	3857238	3765089	1434878	1479932	551113	558044	144436	157622	1752473	1728568	158018	158209	571030	577170	179641	193754	186956	199451	175696	32327	337599	332388	118577	119907	26561	23487	15711	304424	448806	446118	102444	96756	568405	566762	435408	426569	125218	104811	8034	116102	46398	46141	241555	235864	42943	46728	142161	138332	90513	99810	299282	290042	307278	294816	465544	456654	908521	112619	276558	284240	257081	247065	17082	17259	243625	246683	253100	244628	179134	171129	21407	18062	12539	15279	17037	17382	1	1	47888	49895	14494	15784	13743	1	41202	45459	27471	26440	14777	15096	40641	42018	56552	52257	12158	10814	21299	20585	16018	19439	63571	64030	18850	19152	247299	243439	69859	72521	14627	90808	42499	44023	137344	135394	31821	32209	1	1	247815	250858	76011	76608	51163	38439	88871	85932	251029	335688	209267	215096	42491	42817	168320	168609	30385	31837	37906	36375	96397	67502	176506	172263	59290	58834	27670	28224	169720	171272	34008	37143	53727	56152	171055	166255	28238	21331	196591	175400	117469	121019	105469	74736	216127	162268	134294	15916
441.6882@0.87010545	15141	13780	11835	13602	19196	20855	15082	12998	15255	16604	20747	19740	15294	16327	14158	15484	12654	9567	14692	17471	21753	20691	15696	10494	15655	18828	17119	17685	14748	13988	42545	45025	43294	40768	43954	44131	45897	46245	41911	39616	38265	40109	46724	45472	41678	46753	38650	43071	46702	49917	25200	27537	38175	35360	55917	59073	37625	33803	8807	7587	9866	12520	1	6764	14872	17031	15093	15407	17998	18286	6809	1	10310	9528	19873	16902	13777	11299	7851	7939	7757	6686	6434	5901	17717	14621	6128	1	7630	7005	9173	1	1	1	1	1	7706	7733	16668	16318	1	6681	11520	9459	10942	8512	24365	25063	12036	12234	12639	11931	8432	9161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
827.7469@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20014	22212	23041	19724	32039	37403	17318	18584	20530	19855	15681	17659	29370	35064	10963	10781	15768	13604	12283	20412	25250	19383	24496	23737	24707	25042	10249	16007	43205	39793	40092	34851	39036	37577	21811	15189	40970	46063	38092	30332	12646	7125	28789	25245	20190	21485	22088	17695	1	11194	17748	22990	25447	19278	20510	21235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
710.7958@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34520	40293	36949	33919	39987	33450	32335	31837	33085	35451	26571	25552	31961	31781	21818	26224	29099	34053	33410	28329	31020	24509	23860	28350	34270	31904	26466	21721	26902	29920	27474	28714	23647	26197	19695	19016	29226	28582	30789	38192	33388	33101	29143	33271	37614	37804	35445	36788	23071	24076	37373	40857	39681	32969	40596	42163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.075921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	245067	254567	246725	246994	249493	249736	270181	257713	249291	245823	245255	246998	250640	260234	143502	146516	103498	133918	152955	137517	133518	136786	190426	149777	140373	136182	134398	184101	146097	128362	129088	129381	122761	129163	121639	149287	140008	127468	133289	149740	145836	158381	161105	89381	93033	134081	147084	135217	130234	140832	167790	130107	140597	123061	7750	152868	66753	99185	64711	46799	82189	62927	75833	88665	85256	68760	86097	50351	69827	62937	59832	81006	80016	55848	63309	88460	87271	85677	77695	88191	56093	73557	84510	86963	61878	101765	44442	43232	58770	70844	92864	82378	100426	63098	65208	86663	100790	67719	75523	87883	88472	80747	68000	66048	82387	74891	1	1	1	1	23236	1	57214	1	1	1	1	1	22247	1	1	25964	1	1	1	17953	1	1	1	19150	1	1	1	15819	20056	1	1	1	1	1	1	1	20678	1	1	1	1	1	1	1	1	1
390.2052@8.972996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17902	15366	37011	29816	28157	26503	1	1	1	1	17109	15861	11267	11032	17283	12853	15822	13733	25317	55528	12198	16349	35201	25886	1	14555	13908	16879	1	1	26407	31217	18271	22216	13131	19644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1312.7009@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16249	14750	15218	19747	10774	15816	24018	15958	20084	18538	19421	16411	11433	10867	23539	24530	30051	29953	18569	8615	1	1	18315	9413	12613	14205	16346	17590	9998	10912	16464	13831	18270	18357	20883	24526	25081	21784	19164	22668	30168	27809	25421	26765	26694	26823	25457	27122	24060	23878	27725	24189	21748	24027	35365	24489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22435	20814	20840	21152	36103	31426	15197	13832	14003	15824	16550	1	33426	34332	10127	8988	9194	11055	12819	11116	14696	11876	27682	31128	25754	31537	1	9574	25360	29149	34120	29421	32381	29092	13383	13500	33436	33853	33341	34976	16549	14019	32412	38146	19800	22916	18870	18394	1	1	20278	23049	18608	17404	23900	23692	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
844.8997@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9152	10215	12236	9496	23785	25120	6640	1	1	1	1	1	25054	25969	1	1	1	1	1	1	8202	8703	20150	21605	17116	19521	1	1	26994	24815	25602	25569	21323	20820	7982	10303	22774	24966	26870	26863	6939	7272	21118	23230	13300	11825	10646	10522	1	1	11237	11638	10412	8320	12721	13078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Chloral hydrate	47728	51341	52714	49369	55345	55061	31906	33005	48268	48969	52146	51237	61131	55841	47432	53842	44690	43664	43476	50523	54737	50475	31648	34017	48141	49956	52107	53321	46873	40871	66259	56624	57881	63589	62500	57024	63739	63226	59236	56943	60376	63553	63940	57456	63991	62131	58365	58575	62292	66241	35523	33151	62226	60408	66146	68453	64394	61752	15231	12946	15101	14979	10917	11051	19777	15745	18411	19117	17322	17308	8435	5743	9823	10720	16400	15389	20213	27186	24721	20675	11912	8834	11620	12834	17668	19337	1	1	5460	1	1	6308	7511	7454	6609	6282	8626	9036	13417	12917	8787	8155	11811	12396	14545	12236	18575	16306	14195	14275	14510	14079	15759	15870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1112.2593@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17030	14021	18760	19089	16453	12611	20600	17180	20429	20869	20313	19847	10213	12685	19973	21896	21599	22812	20044	11304	7518	10010	9271	9446	13287	11487	18354	24602	13592	12020	16876	19050	12546	15725	16396	21525	18837	18710	21387	22856	24543	25210	20423	21218	23145	25096	26239	21652	23557	23389	21731	21821	26044	18691	31601	23806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.7321@0.85952216	32048	29769	31547	21918	19481	18108	18756	25240	33470	26156	19653	21254	28284	22758	26813	22166	30842	34758	26975	25413	15139	15142	26473	37072	22967	33014	16668	26090	32068	33764	23236	26359	28379	32705	28257	26694	28632	28301	24214	24674	32241	27953	25023	23393	22374	23343	22837	28142	24924	24866	11881	12984	28527	23654	27125	32679	29784	32272	28479	33109	35931	24654	36024	38034	41802	40542	36054	34898	27340	34046	50354	51617	23415	18951	31391	34905	35071	43527	30748	29381	36532	41916	34582	41238	24535	26589	56603	52353	38662	38072	41029	48857	23318	18648	43189	45800	41806	36835	33066	36104	38616	37464	33320	28478	28528	34311	29396	31544	21188	29012	30258	30733	40071	36586	23865	19140	26643	24827	17463	18645	24323	27314	27408	24118	25293	25521	27553	24119	20021	22480	21918	26629	21482	19779	24395	22614	31272	29985	24064	26363	29092	25866	23892	24650	28078	31671	23057	25518	33013	28380	26852	27933	27648	28941	14577	12083	27018	25186	20761	21980	24633	23820	27201	28587	10083	10077	12339	11937	10232	9143	19854	20589	9340	10352	11199	12143	18037	16543	11400	10160	11953	11774	12861	12797	12867	11550	9956	13048	12442	11962	11603	11760	13420	12694	12025	12220	11245	10540	11542	11276	14755	12932	24226	23770	10208	13869	12490	11524	11354	10321
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848.9339@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8660	8834	8829	8462	22958	21344	1	1	1	1	1	1	24581	26715	1	1	1	1	1	1	1	1	16954	20002	18659	15919	1	1	20485	24231	21754	24380	22005	23815	1	7468	26053	29429	27361	25813	1	1	22138	23693	11570	9712	9783	9147	1	1	10056	9757	1	1	10158	11636	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.1146@1.0009885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16041	16761	1	1	1	1	1	1	1	1	9392	8633	12315	12010	1	1	12782	13016	13149	10067	1	1	1	1	8812	7992	1	9193	9440	9836	8139	8035	17175	14266	12618	11044	11701	14462	17489	18457	6648	7085	25519	23125	7628	8339	1	1	9928	9018	11176	21433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7491	7943	1	1	1	7680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8545	7145	7876	8024	6393	1	1	1	18395	16777	7866	7079	14202	15908	8505	7297	10101	11637	1	1	8793	10825	27427	29325	10340	9243	10040	10180	23603	21299	9147	10507	20594	19477	8958	10143	9432	10629	9729	9415	9749	11362	9247	11589	15906	16092
1036.2749@0.8444876	21687	15627	16180	20044	25233	22780	21006	17410	20803	19439	25934	22538	23338	21461	17466	20533	20297	19618	19479	25197	20252	21062	14609	16628	25649	28137	22131	20919	22200	19473	22635	20315	23941	23146	18641	19098	21462	20872	21425	21215	18730	21066	16224	20176	18812	18663	20645	20549	18637	20295	14915	13289	26376	26747	22808	24607	21914	21110	14187	14474	17050	15908	12423	14620	16699	16067	18265	19758	22216	17644	8933	12531	18248	18328	24217	24590	19971	9980	1	8421	6788	7984	10813	9836	18327	17312	11457	13237	10486	14916	16877	15333	15737	21128	17604	13602	19750	25498	24696	23308	22165	21957	22353	21374	23025	24147	20820	24298	23877	22285	23979	24650	32652	23180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H26 N6 O17 S nullnullnull 9.402692	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10260	9796	10842	9819	8232	9652	9146	7512	8096	8943	8927	9487	8821	8914	11343	10097	12994	14121	12807	13117	13684	11945	9497	11261	12370	10757	11539	10178	10718	10621	12603	11635	11464	11033	8149	11663	10031	11023	11853	9858	10470	11942	11758	9732	11081	12133	11974	14152	10582	11560	10857	12257	12709	11732	67326	12211	9844	10417	9687	9384	10221	10036	11579	10110	10072	9842	11215	9749	9539	10201	9194	10331	8320	9665	10361	10400	10895	9103	9728	8824	9564	9210	9710	10743	8280	11337	11178	10036	10298	9964	9924	9662	9505	9961	10275	10479	9351	9176	11782	10307	10412	9398	10619	10205	9506	10967	10515	10435	11730	9753	10635	10751	10632	10041	9879	10216	11346	10599	10163	10183	10212	9884	10758	9977	9408	7891	10982	10911	10074	10462	8956	10214	10259	11844	10461	10725	11180	9982	10718	9435	9493	10113	11390	11043	9943	9556	10102	9593	9710	9553	9372	11561
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755.8624@0.83898145	60638	54065	51822	53329	59218	58306	56651	54233	62132	57068	56082	55880	60951	57208	57903	55968	51801	54410	58188	57958	56913	54676	48019	57882	58910	59939	56084	62829	58408	56107	35932	38099	39694	39570	37457	34945	37498	37320	43358	46230	39292	39143	32056	37995	37462	36847	40683	39860	27999	31225	41319	39800	47525	49050	31077	31555	49380	45281	51951	47608	54587	56234	50597	49398	48905	52147	54122	54930	41681	40214	40028	38596	96995	95268	79823	87958	56560	26109	22057	27245	29738	32454	40376	20072	38336	41799	33145	37729	40463	37946	45290	48454	52522	67883	51542	51252	65017	63413	94839	100779	68486	71834	87176	90545	82099	84080	76221	72421	88770	88605	80081	88814	127816	99072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H5 Cl3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12358	12525	10755	14433	12474	15399	1	7811	17188	11210	12620	9814	19361	18007	1	1	8776	8161	11571	12544	11136	14566	14713	14215	10514	15669	1	10908	15710	14903	13506	16065	13294	10991	7322	6019	11155	15780	11770	15167	5876	6278	9813	11177	9562	6225	7237	7352	10719	6718	8135	5923	6078	12478	10364	9120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
556.2212@14.028119	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9326	1	1	1	1	1	1	1	1	1	1	1	10061	9899	9533	1	1	1	1	1	1	1	1	1	1	1	1	1	10932	1	10894	8859	10186	1	12602	1	1	10474	14287	8909	10256	10677	14304	12005	11952	10062	20037	11351	15005	15635	12967	13067	13619	14058	15105	14396	12847	13731	13181	13391	15380	14026	17728	16040	15754	14975	14842	14458	14541	11394	16964	13485	14750	14092	16408	16751	16750	12200	12830	14213	14754	15204	13833	13690	14226	16323	14384	14527	18210	16085	12354	13644	16972	13252	15330	15654	13869	15975	20125	20164	19387	22205	21383	19454	18950	16082	20373	16333	28373	24060	15423	15636	19731	15133	20037	18708	17847	19303	18618	15758	17623	17202	19029	19439	18750	21229	17972	17318	18405	19148	18767	16163	19071	17290	20859	15884	19089	18879	19717	18839	21851	22200	17142	16846
1155.726@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15049	14265	16540	14014	12723	11558	15068	11897	16565	14899	16996	16953	10597	8443	24936	27534	22231	31145	20398	9838	1	1	1	9288	8862	10570	18583	15746	12783	13807	12991	13343	18367	13198	16205	20609	19110	16968	22929	22462	27739	28610	23458	18058	24623	25524	22151	19576	27744	26450	24537	20048	21189	21173	30023	20820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
123.9839@0.8876967	22457	17807	18189	21634	20020	19492	18180	18172	20270	19055	16306	20132	19323	18946	17152	16813	22295	20336	17468	19599	10564	19121	17359	14865	21383	18666	15965	16622	15051	14598	66831	66008	78259	83915	77253	80073	59638	58364	41498	44068	100712	95844	65715	66076	84981	83088	53051	61380	52069	52352	37952	37698	122485	114080	47498	30725	113901	126534	1	1	1	1	1	1	12406	14151	7911	6485	1	1	12933	11949	1	1	7174	8849	15092	12873	8840	1	1	1	1	1	6715	7490	14343	15286	1	1	8288	9242	1	1	10011	11999	13510	12326	17244	14146	10681	8836	1	9378	10712	11994	1	7054	8558	7417	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
189.0645@1.1770006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6706	1	6861	6788	8731	7673	1	1	1	6275	1	1	17142	16053	1	1	1	1	12512	11948	12262	16149	13845	13712	17031	18997	10872	9070	16797	15061	15897	15396	21378	20694	1	1	13937	16347	24362	26078	8734	1	16622	16829	18773	17426	9907	11507	1	1	1	1	8646	6343	9936	12072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.6104@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23981	23233	25725	24074	14503	16384	21735	21825	22261	25799	25508	24504	13303	7638	19014	19507	27289	24638	26145	23814	16995	22387	15994	11774	16333	20299	26618	23365	13253	10402	10650	1	13773	12092	11709	14267	12641	14548	17033	17534	26297	23819	21276	18696	21831	24621	26189	26458	22219	25673	25834	25180	27875	26105	27605	26918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
529.7274@0.86421764	43616	39900	47670	57319	49941	46724	49977	44852	51966	50899	43942	58609	47639	54475	42084	42647	54919	55187	43145	47061	45230	46874	42802	41814	42479	51055	43185	43857	39419	48451	58435	57107	60767	67646	62170	55950	59198	60413	53849	51996	58955	61099	51497	54796	50779	54731	52333	51410	48816	52203	26284	25989	56855	57445	49198	49968	58937	65072	27535	20389	25263	19181	27499	28894	18111	17877	22472	21562	24017	16795	26318	33613	13952	12832	31450	21931	20017	36590	29537	25182	26678	20670	25172	26318	19030	24078	30729	31032	22119	20874	22785	16243	13183	11434	21668	19943	22425	23541	24966	23409	24242	20439	20419	20671	24470	19801	25701	28657	24737	16849	20172	16671	23031	20574	35821	36978	40168	41610	26040	26691	41379	46426	36502	34009	41210	36337	39801	35251	36784	40268	36740	37860	40200	39442	37814	37730	40282	44653	40473	43078	43786	43790	38940	41237	43023	45149	35817	38774	42081	39704	40250	40295	41594	37181	24678	24537	35869	36427	24166	25779	37431	37784	34728	38430	11120	10620	16033	18811	10454	13024	21965	23589	15100	14957	16742	14980	23049	26554	14757	14901	16135	13755	16133	11724	15616	17062	16378	14384	17601	17477	15195	15910	15847	16940	16256	14725	14624	13221	16450	14789	17586	14241	26213	26368	18014	17183	13594	15000	16825	16899
PS(22:0/19:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20286	25068	19566	17187	35937	30942	24693	26965	18478	26333	22827	16811	34758	35285	11667	10500	17857	22922	22426	31896	23100	22781	32899	31566	31088	29838	19410	19630	41215	36995	24992	28613	33442	29213	9628	13264	28688	32524	23806	24918	19937	19163	22193	22845	18936	19408	21374	17194	22879	21868	18942	16113	18894	22775	20166	24158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1163.7653@0.8381575	1	6520	1	1	12128	1	1	6530	1	1	10957	12501	8783	7985	6330	6856	10220	1	1	1	11867	9707	7727	1	7057	9179	1	8271	1	7362	19283	18517	20467	20428	18510	20382	21908	18990	21167	20874	17984	21788	17689	19439	15645	17686	18670	19009	16318	18713	21672	23588	24967	21448	16287	17429	24938	20712	9062	13401	8045	13777	9231	8579	12696	12810	9088	13340	11823	11173	1	1	25667	27333	26259	31425	16699	1	1	1	1	1	1	1	10821	16419	9544	1	8758	9220	9045	8969	8213	10428	1	1	9503	13309	27489	27138	16547	11971	19278	19600	23475	20170	28909	28859	19722	22063	24959	23791	26141	22157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
760.7077@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23903	32369	17128	18239	30801	21845	26727	32244	31849	28975	27328	24958	26700	28065	14533	17362	30433	33298	30828	30401	19463	15790	16203	20774	21048	30252	23113	20861	25650	20787	16789	26662	27858	23818	14195	13712	16636	23052	26589	29995	27122	26574	29152	24829	20716	29021	25826	25502	32534	31340	15945	23365	26527	28815	31817	32262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
S-4-benzyl-3-((S)-3-hydroxy-2,2-dimethyloct-7-ynoyl)-5,5-dimethyloxazolidin-2-one	14841	17579	15812	15411	14289	14524	15719	14712	15573	19241	14365	15980	11327	15967	10308	11930	9027	11665	9430	12450	8648	10160	14126	18762	15930	13860	14575	14135	13186	14157	1	1	1	1	1	1	1	1	1	1	6485	7731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8290	1	1	7510	12860	10155	1	1	7404	1	1	1	1	1	7530	6865	12872	12611	8362	8648	7721	7423	22778	21764	11818	15504	22818	20064	9447	1	1	1	8679	9531	10286	9157	1	8171	13745	9329	18731	17470	19156	19463	11032	9566	16309	14982	24610	20345	1	1	12488	8183	17757	18526	12330	14486	1	1	8923	1	17276	14902	10276	9229	1	1	7766	1	1	1	1	1	1	1	8526	1	7475	1	8616	1	1	1	1	1	1	1	8012	7482	1	1	1	1	7475	1	1	1	26610	26486	1	1	19772	18250	1	1	1	1	1	1	1	1	1	1	1	1	19605	17917	1	1	35820	34226	1	1	1	1	1	1	14384	16187	12985	12456	11133	9743	1	1	8980	7738	11639	11623	15044	15141	1	1	1	9918	1	1	1	1	1	1	14675	11577
C9 H N3 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8334	17605	8463	9259	22017	20511	7811	10466	9496	11661	12919	12927	32816	29751	15621	1	12374	11711	11984	11058	1	10441	9029	17312	8647	7990	13823	13683	43840	37627	30517	31109	39605	39220	24154	16163	38807	42812	32445	9602	11815	13367	24159	9723	10252	10651	12881	14381	18023	13666	12876	11570	16375	11914	27554	13942	8067	9310	8757	9773	1	1	12097	9916	1	1	12561	10480	8375	9122	12269	10467	8178	8721	11840	11374	11402	9722	11292	11720	10889	9831	11336	11455	11147	10389	8415	7722	9047	9486	1	1	10821	11494	6642	7872	1	1	6204	1	1	9287	15628	11750	8290	7860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8629742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27832	34989	33143	34444	24658	27583	35250	35054	38693	37680	30084	30435	35228	37071	25660	16956	35484	34892	30614	43173	34585	32275	28335	31590	36203	26929	31536	26679	28140	24857	13349	19804	24531	14848	14104	14801	11013	20717	19746	22926	36242	29202	25952	23925	31427	36280	27340	36558	27944	29885	23531	28181	33373	42250	38331	43499	15730	13062	14713	17482	10359	11026	14342	15545	17211	18105	18105	16313	15757	15240	16009	16268	15976	16557	14294	14183	17610	18598	19252	17419	13796	13715	16268	17948	16812	17869	19909	18711	15368	16471	21476	18419	18116	18483	16476	15935	9662	11432	15511	14876	13425	12835	15291	15185	17340	18646	6721	6243	8383	6752	6767	5902	13913	13182	7759	8189	8381	9356	11217	14426	9384	9501	8021	1	9030	8756	8824	7273	9014	9572	7876	5596	8287	9776	7798	10056	7988	9497	8084	7398	8727	6719	8685	6784	14011	16949	6513	8506	8093	8169	6197	1
C22 H23 N10 O15 S nullnullnull 11.645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	106156	125529	125137	132424	132778	124848	111006	130761	143522	117934	120973	90155	100880	102356	45839	116475	69917	35151	94059	52601	39245	48847	1	31974	58146	48301	47883	43129	27380	46545	56967	54211	28276	63670	24461	48781	38981	64871	45938	55090	94129	61171	54452	20525	23746	47506	30511	46532	29224	27949	18025	28582	47532	63888	1	28149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
132.0452@0.9099999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7218	5885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13432	13473	1	7508	1	5909	1	1	8846	13769	6389	7055	1	1	12798	6977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Apigenin 7-glucuronosyl-(1-2)-glucuronide nullnullnull 11.541994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89213	155427	176549	85025	87935	37860	58171	59806	195388	138584	96383	36340	136275	45573	43131	52732	17330	41610	21682	64338	36708	23438	75932	93615	25998	28291	46744	48998	32917	46556	83067	69731	91951	90708	82872	95091	86860	44694	70948	57747	75170	23002	48259	58619	60327	27308	57049	51389	31476	37009	57845	37105	26790	40495	70222	95729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
alhpa-tocopheronolactone	25574	24004	22484	25096	20305	21701	23002	20958	23055	22379	23329	23423	20665	22405	23510	18006	51095	24438	22524	22849	21653	22137	23984	23461	25710	23894	23091	21707	22500	23984	22904	24420	23639	24687	27134	24240	26818	25514	27250	25335	26166	24343	20895	27553	23555	26770	24711	23606	28096	26881	28329	32224	34504	33215	29929	34283	33285	33665	20470	25584	22472	20570	21366	21102	21337	24070	19731	18523	20934	21707	23270	21829	1	1	1	1	7894	8942	8962	9286	11812	10249	10473	10840	9809	1	9035	8797	9143	12210	8403	8579	1	10653	12257	12901	14614	15539	15444	13053	13797	12938	13753	14122	18093	14939	12566	12900	14607	15784	12701	15234	713748	13818	19031	12474	17631	14920	16660	13877	18304	15609	18994	21862	18124	16918	20209	17976	19398	10720	19873	16076	14716	15274	15810	12467	16739	17848	16871	18380	17876	18215	37287	15954	22050	22627	17559	18460	15384	23529	17606	16445	14855	19336	19821	17257	17147	14838	17628	47393	17661	15445	18191	29637	15641	21981	18363	16833	19958	14839	20584	14817	18324	17154	19762	21022	19678	17236	19215	21858	19930	19546	17475	18375	23288	19303	23438	20641	19793	17931	21560	21312	18389	16895	20655	19579	26088	22521	26623	20997	18628	18266	18829	22036	17963	19245	18777	18829	21159	18781
> limit nullnullnull 12.002789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49802	184040	115758	56519	160592	34849	28580	70075	28405	56425	28072	25228	45221	24294	25636	17894	24384	20935	38165	18449	66973	18779	1	1	1	92789	18101	72615	17604	50381	33529	53686	19189	75363	22232	22132	56205	23898	65448	22717	73342	24896	49725	53559	52538	24509	1	23919	21568	19523	72159	50560	19150	22279	55435	64197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18356	13211	17027	20086	22260	21671	10334	11251	15163	13194	9340	10407	22412	21862	19382	16303	13046	11861	10354	1	1	1	14500	15048	17366	19430	8301	13190	12433	21222	20941	19394	20588	23680	24546	23363	24996	21998	27870	28149	20975	17462	31982	26921	26452	23824	25753	23685	8915	11685	26217	21446	17670	19948	36186	30250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
895.6074@0.87300014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20577	26040	18987	17357	21154	18881	21049	26230	20021	27477	15722	19181	10499	18302	14006	11802	28868	27428	26143	27708	17195	16412	13075	13556	22294	15702	19540	17350	12080	15748	11288	13298	12015	15148	8717	1	14588	15092	14480	15234	22222	24491	17090	18724	17446	18069	23503	25214	27925	32323	15913	15340	22900	24909	25232	27822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.9475@0.7908403	10295	12694	11470	10960	11512	11061	12140	9188	8360	9181	9843	9507	9955	9999	10476	9768	8515	8328	7211	8244	8858	8468	9079	8595	10397	9338	8402	10921	11311	8308	9585	9349	8094	8580	10586	10101	9619	9386	10411	13061	8776	9622	8869	9874	10182	11749	9630	12426	9216	11308	12235	13545	13348	12493	11551	10788	10880	11720	1	1	1	1	1	1	1	10961	1	1	9512	7748	1	9540	1	1	1	1	6999	12565	15337	15352	15003	13381	15459	17296	17069	15377	12976	11783	12494	11362	11540	9460	18389	14396	13413	10309	9685	9189	10263	11546	9583	10487	9482	9896	10965	11229	13233	11964	13566	15498	10981	11260	7117	9483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.3164@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7482	7183	8834	10044	11988	10202	6571	7777	7923	6760	9526	11520	8693	6715	12059	13881	11521	9290	6360	1	1	1	1	1	1	7402	6632	7549	10732	1	9125	14146	10097	11494	15812	17262	14404	15009	14779	15070	15519	13460	16969	17962	17197	13495	16889	15037	11455	10601	13017	12873	13169	10678	21726	16339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1217.7596@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10711	10214	13159	11361	9150	9572	10767	11853	13821	14902	16650	15092	7193	1	24974	25270	31569	28717	16798	7434	1	1	1	6482	1	9086	11373	14328	7909	1	10049	8152	8378	9805	10666	14214	9475	7662	10748	10050	32081	30097	13677	11294	20599	17292	18562	23917	32211	32685	23680	23225	26640	20560	30451	20145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
171.0177@0.9799996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15444	12790	16325	14410	16965	15400	14335	12723	13442	12725	11786	13420	18711	13902	8243	8710	12152	12040	12480	15018	13719	15068	14912	15730	18111	18137	13443	12449	20165	17904	14190	14864	14502	19452	9082	11842	22069	23137	20431	16943	16173	14803	21417	17998	18756	17812	18827	18915	14498	14441	16537	14642	19195	15402	30093	20323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
684.8647@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13009	14946	15099	17494	17819	12901	15376	9140	13361	17907	14873	13239	15161	18328	19419	14766	17945	21983	16289	1	8715	10354	12408	11459	14408	19458	16560	13934	17547	24672	24022	25960	32364	31979	14675	23485	33183	33314	34787	35159	20306	23775	29177	30859	20567	22825	23224	23323	20564	24114	25509	20496	23580	19482	32936	25454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
488.2335@14.028729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10199	1	1	1	8530	1	1	1	8327	1	1	1	1	1	1	1	10425	9475	25239	14751	11778	8536	1	1	1	1	1	1	1	1	10317	10969	14098	9857	12634	11146	12165	10123	16371	11134	11433	1	18728	12509	1	10239	16911	13175	11770	12092	22677	13551	13125	17187	13226	12571	15563	14264	13960	12983	13271	11446	13118	14443	16408	12896	14248	14601	12117	14626	15696	16502	13246	14068	15216	14178	14227	14745	17123	16360	14305	13248	13622	12933	14160	11119	15753	14149	13156	15202	13261	13151	16124	17188	14672	12813	12184	15101	15596	17048	14928	13270	21639	22021	20124	23047	22098	20175	20881	18910	18034	15997	31931	28985	17232	19061	18473	19310	21346	18243	19050	17635	20813	18128	21257	19454	18871	16500	18255	16766	18241	15459	19263	21373	17321	18969	20103	19697	24466	18308	21061	17682	19225	16242	22081	28828	20319	21961
893.9418@0.89	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16625	17903	1	1	1	1	1	1	24426	19723	1	1	1	1	7579	1	1	1	14247	14788	10631	10897	1	1	27471	27517	20755	22501	20621	19170	1	1	24072	24319	14234	14469	1	1	12472	12018	1	1	1	1	1	1	1	1	8528	1	1	7969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 N2 O3 S nullnullnull 0.83653224	1128169	1104631	1123250	1204051	1257013	1257815	1199844	1210315	1194616	1110062	1220157	1115874	1168498	1124288	1226147	1235379	1252198	1262193	1215546	1228191	1213182	1166798	1104410	1113846	1246360	1310642	1174751	1260019	1189315	1142312	1509409	1470541	1485463	1467930	1485457	1462368	1512556	1528371	1441381	1423200	1397636	1450115	1509406	1540194	1477049	1370655	1370173	1460742	1500872	1557190	1432668	1441444	1554405	1531096	1650020	1623074	1532031	1542644	6622	6661	884926	980500	851305	777617	965828	935552	1005050	949004	9463	872041	713879	715886	16088	6412	1163078	1149934	11968	15336	666450	708444	499687	526798	606037	773106	28645	848727	633100	654885	662246	783628	727186	794526	42785	1170139	940556	920093	1030048	1065747	1321770	1315537	1134592	1010337	42040	1292797	1170978	1275200	1211346	22180	1148682	18440	1253672	1264642	1487628	1236533	1219012	1275999	1326990	1297630	1288497	1292104	1301362	1246951	1319700	1350435	1154033	1295237	1293115	1317124	1292715	1238100	1326808	1318119	1299539	1312149	1304215	1322886	1401086	1324538	1329546	1329183	1352517	1351509	1193283	1297166	1402064	1282234	1361957	1326953	1451782	1445790	1350591	1350349	1409267	1297437	1270264	1260479	1267358	1401756	1366936	1306612	1240492	1240581	1366485	1371038	1201648	1105011	1236283	1213223	1141222	1232527	1333666	1291134	1211233	1233183	1273266	1184917	1263683	1266211	1381401	1235526	1297921	1296089	1352337	1343786	1260719	1238800	1237593	1254447	1238258	1303766	1233898	1241899	1319582	1269866	1304072	1293431	1231002	1166560	1324214	1224907	1223693	1258739	1410549	1377277	1293133	1276688	1289325	1253178	1270124	1274069
5,2',6'-Trihydroxy-7-methoxyflavone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9704	9776	10500	12846	9703	9702	5987	6629	10292	10521	9035	11245	14203	13877	1	1	11120	10784	7919	7188	10201	12137	14096	10528	12920	16021	9010	9171	10674	10896	8969	10153	14325	18724	11372	11164	14194	15918	20696	20479	16433	14128	18156	15303	16018	15446	22405	21618	9644	11390	15100	13224	13868	16095	19599	23011	26024	24890	30154	25598	28814	31781	37064	33617	19467	19424	29345	28588	27745	27901	30076	26648	33538	31982	32426	30226	28846	26447	35976	33488	30994	33663	30968	31714	29334	30267	29089	29108	23796	25255	19564	18760	32646	30253	19516	20842	26173	26885	15772	17711	36492	39028	29288	29742	19306	20020	1	1	1	1	1	1	1	1	5797	6646	1	1	1	1	1	1	1	1	1	1	1	1	8513	8815	1	1	1	1	7151	7609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
113.0185@0.92900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13024	11560	12067	11010	13366	12441	11099	11555	11524	14352	9408	9821	15019	16163	9061	8314	15102	14791	14179	14132	9189	9390	9132	7917	10756	10306	11074	11923	10757	12549	10173	11243	10320	9866	1	7795	16240	14628	16143	18784	15413	16091	16474	15837	8160	11482	12509	13816	15922	20310	9380	8667	12315	12478	21929	16739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.9722@0.85276145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16307	15598	13478	9259	16725	15430	6735	53077	17521	17018	12889	12342	34726	16643	17390	12481	14430	22881	21560	14809	27570	11384	1	1	14239	14295	12971	12028	25833	12372	13354	13647	16871	17030	17196	14144	29135	18438	24496	17065	10253	23453	16573	24221	20735	10887	20469	41783	22110	17345	17989	17502	19759	20439	26236	17078	11412	49824	63003	63408	68981	73384	61405	17120	59122	63783	53004	60323	12047	12220	39855	9797	54401	14335	9528	26334	42893	34785	6370	40894	7558	12208	7396	62790	44617	11666	6984	15616	57191	54484	69464	7832	61857	43468	14164	15662	27138	21762	15223	14257	60781	58154	13942	39388	45949	14184	39732	34831	44152	42142	39409	39552	8946	53291	39762	36535	53418	54460	34110	34087	39660	32792	49897	42694	44612	44682	38036	40659	42643	40788	55778	51017	29885	34333	57693	57988	43934	38918	8697	48618	42346	38580	48970	41886	9801	11644	40615	39754	30390	35849	31014	34605
275.9362@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21311	23701	26865	26270	19153	19884	32016	28950	29742	31981	33668	30662	17041	18176	16807	16630	26397	27269	29270	28744	20309	22666	21706	15609	21636	20359	28897	29204	12027	13732	11565	10866	12984	12743	10525	14379	16636	13924	19219	21225	28262	29675	19492	22080	21092	27012	25658	28685	35316	37812	25921	24986	28476	27258	35372	31546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H6 Cl O21 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26296	25306	24591	22959	27866	25793	24154	25043	22168	23597	20288	15395	29640	26024	14288	15401	19391	20115	20726	20619	21365	21621	14647	16775	19308	23328	13259	12756	27808	27748	22471	20307	22195	24646	12113	11781	29277	28901	28493	25287	21063	23360	23679	21517	22868	24523	23179	27877	15947	14068	19480	21480	24476	25138	29998	27636	7144	1	1	1	8680	7887	1	9897	1	1	6185	1	9857	1	1	6430	1	1	8057	10373	6926	5588	1	1	1	10828	9799	10850	1	1	1	1	1	1	1	1	6532	10991	1	1	9188	8428	1	1	12439	11795	7119	7008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22-OH Sulfatide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18564	23124	18657	16972	21622	15627	19243	19229	19928	29480	16333	17498	25018	28866	8348	1	18722	20814	17361	22604	19821	18066	17641	20280	19827	22552	15265	19631	29872	25337	20497	17775	21432	21210	12098	10585	16852	19496	14005	18741	14857	16414	23518	15903	16907	22198	15597	19835	24923	26188	10300	13752	17303	16611	19389	15475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1110.0852@1.183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9484	8034	23070	22310	1	1	7665	7218	1	1	25165	25627	1	1	1	1	1	1	8817	7943	18231	17003	9449	8540	1	1	24682	24415	24086	22968	20960	20392	1	1	24410	20299	14113	11490	1	1	14636	15850	7770	8768	7766	7304	1	1	1	1	1	1	11396	9202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.0832@11.751004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50100	52427	57751	12545	59441	32446	58084	1	56139	56131	31325	61646	71816	50560	1	24774	26422	1	1	24998	31854	1	44699	40509	33233	25011	1	25214	1	1	1	25128	1	1	1	1	29301	26312	31163	23600	1	1	25107	26092	21488	23742	23141	30482	29574	1	30813	1	27454	1	47400	44663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
5-Amino-6-(5'-phosphoribitylamino)uracil	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6812	1	7357	8040	9538	1	7850	7848	7651	9737	9427	7819	1	1	1	1	9512	6683	9139	6921	8458	8228	9647	10082	10978	10386	9659	9216	1	1	1	1	8773	7459	1	1	9589	9007	13975	10002	9914	10542	11494	11401	10071	10816	12543	12289	8808	7780	10101	12835	11375	10770	25764	13363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H3 N S3	28385	29652	36694	27079	27594	34876	38453	27700	33463	29600	27343	33687	31170	40573	32517	35686	32482	30606	23948	28744	27307	30214	30301	25813	31474	28824	28325	24035	34800	45004	26265	28981	30271	30159	29422	27398	26958	30792	28709	29917	29705	34591	33575	30554	35145	30680	30035	30038	28886	26467	37155	18672	30957	27698	26067	28821	28253	29476	33340	30858	29762	37601	35215	35036	35531	36361	33273	30024	33596	32243	31595	33619	37099	50631	40101	29583	29409	31935	30221	26936	29765	29328	25330	30997	26648	24175	22901	26068	31324	28988	27600	23418	61549	29229	24365	25080	27838	27047	24990	25428	26078	26379	27031	24450	26997	27433	28476	24984	25331	29829	30816	29887	18461	34723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 N O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19110	20708	17237	18280	22655	16460	19423	19946	21266	20816	15208	18281	24997	24654	17677	13250	24076	23899	20547	16945	14919	17565	17426	1	16172	15219	18252	16005	18708	15823	14359	1	21066	22028	1	1	21107	20189	20146	19861	18065	22058	19208	20654	19563	19929	23497	20074	24187	22418	19323	9066	19662	20478	26451	26682	1	1	1	1	53118	52447	36217	39229	1	1	1	73607	1	1	64244	66024	1	61128	73232	75905	1	1	1	34813	84333	84112	1	1	96552	95075	1	1	55393	1	32692	35153	36700	1	1	60428	46215	45896	1	1	60500	59321	1	83089	1	33922	1	1	1	1	1	25930	1	15225	14699	1	1	1	1	1	1	1	6812	1	1	1	1	1	1	1	1	1	11942	1	1	1	1	1	1	1	1	1	1	1	8972	1	1	1	1	1	1	1
C47 H91 N2 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30182	36866	24572	32211	43140	41540	40465	32478	34510	33097	26984	32211	35726	26309	22341	22877	37360	48041	40985	42401	32988	31904	27578	19740	30736	33292	25476	28959	34309	16010	32700	38308	31060	32196	18918	16913	33281	31550	35381	29873	33960	37848	39103	29608	31841	34327	34411	36174	48943	49320	34562	24325	34715	32419	47306	44283	40860	41349	54002	52362	37658	36670	53619	47413	45797	47693	48256	48621	45016	50643	42404	45647	53770	46753	47139	43771	44097	45253	51739	55463	49728	44394	54076	56260	47757	48137	57789	58598	46945	51400	57375	53155	51699	52683	49467	53447	28942	30708	49402	51170	32258	39179	45493	47704	49152	52650	19532	21241	26173	24508	19897	19082	37637	30438	20405	22992	20401	27857	34253	31632	25862	27963	24811	27019	25333	30939	25491	25849	27782	27149	29801	27140	22554	24698	32884	34775	26748	23904	25037	25074	26151	25963	25532	26787	35912	39200	28061	23702	20460	23110	25138	26961
(Z)-But-1-ene-1,2,4-tricarboxylate	108059	112878	57008	60727	32526	38388	62342	51100	78157	67338	26921	27367	57054	65448	96026	93735	39902	39495	75962	76557	32438	29226	123591	133018	9677	10508	55441	60491	60784	27784	36505	29893	39667	55600	5004	14446	34951	46295	6126	21263	37881	33987	31424	36908	22384	17119	13879	7303	11907	10190	10568	1	30403	13796	1	1	48205	56980	11366	13352	1	28402	23054	22200	27707	27762	16337	17044	9614	9758	33806	14344	11360	25880	12880	12275	13232	22256	18703	41765	78535	69195	65934	30304	15055	17695	472060	479872	84592	86084	37178	37630	9924	6282	73488	72421	25970	14952	31298	28062	30684	113529	9034	9250	10128	11661	1	1	20393	18516	9092	6640	35515	16768	16486	10900	33537	29848	19615	20147	34987	37278	12595	14423	18404	23773	33627	46070	37782	36400	22956	22121	25926	26781	23406	27345	11385	8823	29269	15380	11849	18808	25212	28611	14800	17379	21599	27688	29744	19242	35017	35123	36021	42717	40502	46256	17476	19483	28646	25406	15877	18098	43430	46244	28448	31588	8186	16250	49307	107588	35964	39090	140246	145738	37753	40545	47979	44686	24491	22127	52654	41946	18658	18842	149225	137057	54001	53129	17960	7937	129168	122923	36549	40049	23824	8656	40610	75318	23475	25090	71089	65691	81699	66708	107113	108133	145393	146123	79708	74165
565.3517@14.224641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12646	9886	10764	9011	10172	9849	9655	1	1	1	1	9827	1	8756	1	8387	8945	8516	7970	17752	17469	12867	12754	12940	16107	14953	15751	12697	12364	14835	14209	1	13582	16946	15290	11345	12420	12989	14966	23299	14902	31661	26640	35269	33977	26978	32590	27437	31363	37178	35635	29388	27275	30620	31250	29257	29233	34546	36360	21659	23172	33876	32080	36881	35746	32787	30943	25383	27110	27923	30067	36345	36180	28824	31948	39161	39080	34186	31042	32884	34544	18441	23558	36937	40256	30365	26830	29407	30192	32760	39823	10495	7693	11534	12241	1	1	13979	13275	10792	10839	1	1	9676	11486	13802	15109	9650	11815	11921	11901	10044	12162	12113	13997	13060	12923	13359	12658	15493	16424	14211	14880	11785	14425	12437	13972	1	12353	11808	12278	11599	12809	8137	1	10049	10493
1277.6837@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17841	20508	20867	19765	18437	17287	23103	22380	23458	20508	13940	23712	12950	12684	23798	26471	28491	27838	19823	12028	1	7959	7646	10240	12027	16248	19349	19830	12515	13444	20949	17825	17274	22857	21457	22168	24911	19413	22746	22826	28671	22222	24527	26647	30287	29966	25882	23209	19635	21201	30409	25801	25575	25695	30653	27630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
636.9353@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30300	26301	17578	17119	33979	29772	14225	11537	14334	14959	25825	27704	31990	32295	17514	15905	15311	17366	17818	9804	10446	11988	34965	38099	31086	35951	23508	27628	43947	40819	41755	41741	25209	35878	16007	22613	37677	38268	42414	42209	15926	13875	35602	36933	24097	26669	24761	23812	18934	19255	24549	29724	24666	23225	27483	27610	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
410.8806@0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17050	16307	14308	13226	20298	12035	10858	1	14234	16647	26916	31348	24252	27202	13714	10537	16368	13207	1	1	8696	9670	19389	20712	17533	17214	28370	26561	20621	21469	17583	16752	17701	18057	7637	13038	13367	16870	14460	14459	17172	13929	15520	17655	17045	14655	17256	14653	21296	23181	16543	14745	14207	14018	20077	18709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1287.7065@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15649	14458	15698	16999	10163	11587	15748	12340	16270	14530	15725	16212	10658	9073	23048	21732	24381	27616	17760	1	1	1	8339	26417	9251	10814	15883	15447	12691	13735	17906	13853	16280	19226	17487	18131	16006	19978	15876	18814	26067	21714	20247	22603	24941	24187	19263	19069	18538	20448	23500	19579	21063	17583	28391	24674	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H7 N4 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20242	21053	23067	19634	41629	43639	8956	8476	15959	17380	39327	43167	112710	138296	11111	11882	43845	46154	6225	6805	10416	9956	71463	97569	59541	60905	72537	33697	78832	79211	58466	61225	81625	82204	17125	21311	78210	72767	66484	67216	10272	50477	42399	48047	14296	14146	11185	15844	67341	72259	18227	21185	14439	62119	68010	15167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
750.0135@1.1819997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5911	12942	12387	1	1	6056	1	1	1	19032	21133	1	1	1	1	1	1	1	1	14449	15064	7395	6745	1	1	23358	22147	17964	17481	17982	18286	1	1	22331	25061	8686	9462	1	1	12547	13219	8214	7833	6619	6392	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
622.6294@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25726	25390	28000	33766	31269	28407	30677	21383	28558	23580	26220	22037	19127	25033	15602	16924	29650	26510	27811	28427	30274	28915	28690	19822	28650	29145	24265	26785	19214	15505	23312	20612	25487	23067	21527	17904	22100	24338	29778	26222	27336	27647	30988	33261	27177	30595	29129	33222	25011	23262	30345	28722	28065	26290	32765	36673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
918.3306@0.840388	12869	12147	14455	10379	13799	13535	9317	10935	9159	13360	12476	15095	13522	11686	11377	12281	9230	11407	11427	14038	13959	12595	10026	8848	12926	14247	14775	11705	11812	12835	21764	20544	23841	23829	21291	20598	25260	23586	20724	21181	20969	20495	23639	22009	22740	24640	23561	22203	24783	23617	23631	22153	25125	21508	29556	27582	24407	24251	14545	10212	13422	12606	9953	10861	12319	13483	14334	14290	19943	17539	10694	8448	22218	21075	25555	24363	13169	1	1	1	8242	7661	10649	11017	15780	18837	9667	12383	13536	12287	11091	14357	13331	20193	14776	16701	20856	21492	24852	24221	21218	19202	23829	22857	23694	20170	27952	27101	18320	20628	22732	21692	28979	22634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H9 N2 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6918	7770	1	1	1	1	1	1	1	6556	1	1	1	1	1	1	1	1	9452	7382	1	1	9138	10135	6419	7559	7573	7002	12368	9213	6767	7896	1	1	1	1	17754	10775	1	6329	7203	1	7036	7531	12032	12635	7609	8826	8695	1	1	1	30003	27946	21282	22555	12992	13720	1	6831	17914	20622	12881	10608	9298	11062	9164	11301	12398	14403	12697	12407	1	1	6476	6446	9918	8790	10990	9970	9534	10050	11000	9973	12657	13963	13994	14618	6622	7329	11061	11877	21155	16351	12363	11881	10877	9615	14430	16476	10488	10010	10934	9913	14424	13532	14167	11643	13117	14069	8232	9775	11122	11298	7558	6691	10332	10626	8902	8884	10093	9200	7180	7811	14425	16030	14659	14599	7013	8333	10418	6965	1	1	1	1	1	1	1	1	17563	18911	1	1	15776	13651	1	1	10643	8886	1	1	1	1	15440	13778	1	1	1	1	7353	7704	1	1	9670	7453	1	1	1	1	1	1	1	1	1	1
C14 H3 N O2 S nullnullnull 0.94599944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17440	20213	16650	20907	19783	1	18355	17140	12300	18936	20812	21343	12535	12398	23111	26056	28927	28442	27609	27830	28077	28611	17223	13396	17619	16737	25018	27330	9840	7339	10482	13350	16563	19398	50493	28171	19105	17000	22053	20957	32805	35159	23336	20758	29569	32000	34399	34682	45245	45190	21573	32849	25067	25671	37805	39222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
657.8002@0.8526278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24891	26176	27429	25505	31301	24716	24276	24040	26430	28421	22815	19545	32047	30670	13787	14792	16567	22744	25672	23487	24591	30112	25254	24702	27677	30954	17300	17552	33592	34181	32784	32854	29330	27981	16523	19660	29077	32211	25701	28556	18778	16097	25494	27057	23152	25004	20547	22901	15097	14980	21488	23905	21737	18814	27517	25646	16890	16008	16287	10622	12076	13460	18434	16468	9242	11426	20910	18240	16702	17131	17601	18658	16430	16580	16783	16125	17094	12601	17499	19709	17343	16563	21176	20817	19394	14322	16505	11857	13864	18563	14204	18875	14414	18178	12544	11581	14103	14628	12150	5921	18154	19677	19515	16361	14205	14997	11029	11291	10818	7627	9047	10810	6467	8146	12417	10835	6778	8290	14797	11162	1	11622	9275	11127	9452	9359	13630	10789	12320	10643	12855	11061	13542	16468	16863	14612	8646	10014	13752	11001	9522	11318	13514	14160	9242	11496	12958	11023	13779	15307	13436	11652
C6 H N3 O2 nullnullnull 0.94100064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135433	131873	126755	125684	146441	147362	136857	139437	137088	137730	126080	124608	142127	150625	110840	101779	150189	142449	142697	146461	126289	129931	98480	92741	121366	127725	119115	119838	115889	110010	114431	118046	128554	132395	91529	104091	149235	155077	154494	163049	142203	143585	143558	148247	147208	147461	158509	152479	152753	148690	122199	134476	149284	147453	196562	181139	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
498.8835@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15685	15994	13684	18679	21849	18790	16908	13158	13804	12122	18194	14868	22283	24154	11439	10292	11988	13941	12459	11201	1	8467	19876	19158	20189	20395	14156	14136	17132	21888	20225	19393	19413	23774	16607	11878	22125	16828	23909	19877	12417	12021	23365	23138	18076	14504	11406	19151	13600	12180	19274	12747	14792	15857	15089	16662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
596.0734@1.2070001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21860	20294	1	1	1	1	1	1	7289	1	1	1	1	1	1	1	1	1	9167	7315	1	7430	1	1	11915	11747	11579	10997	7831	6649	1	1	11396	11460	6513	7666	1	1	15407	14892	1	1	1	1	1	1	1	1	1	1	7670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 Cl3 N2 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15172	14372	13775	13568	14998	14542	12101	11484	13414	13311	1	10417	21252	15677	11247	13177	16588	19989	14461	8261	11825	11094	15378	13378	16382	17508	1	11141	14195	10370	14687	13874	18545	15478	1	1	17074	18604	17025	18092	14806	12819	18124	15406	21170	18031	16343	16294	12350	11656	14903	15239	18576	20164	19209	18527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
98.0367@1.5569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27281	1	1	1	1	1	1	1	1	20849	1	1	1	1	1	1	1	16060	35053	40144	37563	35645	1	1	43892	26566	29382	29743	19620	1	1	1	42338	46944	38604	37469	1	15400	50380	48310	1	1	18719	1	1	1	22785	16365	1	1	1	21067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
608.0177@1.5660008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15808	30836	14822	14693	27420	26575	1	1	10197	10423	1	1	27861	31341	14223	15631	1	1	17362	15500	1	1	22113	25034	25922	18093	1	1	1	1	1	26239	1	25104	1	1	14099	14860	27144	11438	1	1	19192	18813	14000	13729	13007	11799	1	1	1	16588	17641	15811	19908	12034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.0427@0.8909998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12766	26633	15808	27245	33611	26919	20951	20154	17835	19237	16381	16066	39272	39310	27284	20258	29178	29700	12564	21639	30556	34624	30184	33444	29663	29134	21528	24856	37420	39038	29502	35788	42779	39621	23258	32714	38095	41611	37661	40783	32742	33717	38625	42329	31413	32765	15089	16275	15796	13648	42379	43013	35156	36129	42624	34563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1185.7014@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14968	15220	17730	16118	13887	14246	18851	20154	19218	20676	17147	19145	14657	15094	24845	25547	28656	31053	17292	9010	7151	1	10933	8939	8530	13101	16422	18728	12502	13237	11235	16253	14740	16310	13162	14656	17129	16419	20323	16479	29590	25534	23384	19438	25514	24999	19784	23805	24508	26023	29886	19633	25303	26120	28433	23247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
397.9581@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18759	17419	16930	17571	26181	29025	13597	17335	13703	13869	1	1	27487	25739	1	1	1	1	12933	18865	21268	20861	22608	22216	19873	19671	1	1	18153	21279	18472	17378	20296	20000	1	1	21898	18404	19380	16771	1	1	18123	17969	12139	11555	13917	13673	1	1	1	1	11135	1	13191	14602	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85300034 :9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34737	31696	24670	22623	35404	43467	25070	28382	25929	27054	23249	21765	40572	44248	18752	16095	20022	18812	21432	24189	19227	23662	35552	33673	39407	33296	25510	15345	31337	30553	30845	33776	27972	32149	24079	23367	32037	38148	38870	37933	25200	22850	36751	40314	24970	28160	25355	27644	16181	17921	32495	25197	26928	23363	27666	27833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
243.0358@1.2410002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23880	26466	22154	20543	29469	31347	21172	19040	15676	13513	14027	14822	35030	31331	16424	14586	19776	21655	22988	13226	28158	34704	26950	26962	28998	41085	39190	38063	53775	48850	40342	41162	34921	30712	12417	18664	38464	38672	40461	39274	25877	19246	40785	40477	28174	32911	28176	24430	16495	18172	31959	25751	29022	24612	19448	32106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
257.0157@0.9690007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17217	16409	17768	16938	16024	7423	18251	20022	20466	20012	18789	19266	13584	9620	14833	14996	20956	20596	19463	17908	18611	18523	13382	12114	14905	15345	17804	19594	9217	8524	8297	9150	8095	10033	10885	13341	10322	11065	18195	7207	19861	18159	14944	8454	16226	17902	22150	18801	20991	19969	17749	17929	20115	18604	27264	21419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H6 N6 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16127	16390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20300	18734	1	14341	11575	12131	1	1	29102	26670	22279	18933	13199	1	16984	22117	22726	26113	24458	9757	1	1	22153	33977	16809	22467	1	12913	1	1	1	25737	13630	14912	12873	1	1	1	19197	32149	1	1	1	1	1	1	1	1	11755	18719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15581	17924	21342	35621	1	1	25674	25752	1	1	1	1	24543	31453	1	1	22661	15748	6811	19514	1	11216	26541	30578	16303	36245	49002	47941	29176	19620	41095	38885	18072	13199	23851	13675	9045	1	20672	41749	65199	51845	14308	11825	44663	20604	63911	49031	15900	24414	52092	47792	25389	19175	19858	33346	26340	48336	27760	30770	52244	41448	51718	43723
701.9135@11.887622	12534	15108	13696	10732	16432	9639	16155	16784	25362	8356	1	1	1	1	1	10473	16813	12975	11230	13155	13138	12335	1	9954	10787	1	1	10587	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37811	11965	1	15690	1	16081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13811	1	1	1	1	1	1	1	18084	13418	1	11338	1	1	1	1	1	1	14004	11475	18715	12611	17205	1	16950	7506	22722	14613	15877	1	1	1	14053	1	1	1	1	1	1	1	17476	1	13245	20763	12070	15073	17078	8567	14641	10001	10615	1	11750	12865	1	1	12090	11567	1	1	1	1	1	1	1	1	1	1	1	10264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11288	17280	10287	11120	13228	11782	11372	1	1	1	9012	11650	11984	1	17757	13105	8205	12893	10845	11596	14824	10012	7903	14490	12330	16418	12170	1	10354	1	8970	1	10756	11888	1	1	10382	9772	1	1	1	1	9689	1	1	1
274.0321@0.9362494	10275	10164	12580	13119	12605	12445	1	9770	8390	7494	13579	14737	11787	12446	11855	1	11773	11580	13433	13587	14153	12866	1	14400	20820	24100	9764	9068	16095	20393	16353	17102	14871	14118	13765	13705	16089	15603	10295	11033	14928	19081	13978	14695	10111	11430	11177	10581	16454	19492	23115	18859	14420	12297	22043	23477	15825	15890	12629	13741	14865	12810	12716	11051	14261	17019	14654	12792	15728	15040	14462	11239	14040	11476	17378	15236	21026	17200	17938	19784	8406	7693	16693	18251	16040	15518	7403	8920	8203	7270	13122	10108	23518	20994	21642	23714	22788	20793	24504	22531	20396	22246	23113	23490	25827	23187	21651	25876	16622	16510	22669	18671	26687	25651	24037	27804	27770	27242	25545	26796	25277	27811	26751	28838	26665	27522	27022	28121	27164	25882	26720	28604	26907	23301	27132	30398	29385	30793	26800	28011	26554	29726	25999	25604	29965	27653	28604	26789	30396	30562	32026	32844	28275	28042	24160	25857	29205	28645	27727	30241	26956	27309	26833	28918	20149	20355	19367	20685	18517	21442	24904	22563	20581	20560	20159	23179	18016	20820	23631	24171	23013	22939	23957	24779	23795	18688	22384	26936	22340	26146	21036	19785	25972	24911	24218	22128	27044	21368	23861	21301	23464	18744	19914	23677	22242	20954	16323	16132	24398	20722
<none> nullnullnull 0.8633628	117347	117995	123046	119389	130673	122850	107069	111288	112605	109741	120272	120588	126368	127268	115653	110385	128209	122487	119945	121071	123425	119928	101728	98252	106607	114131	125488	128599	111453	111730	122506	123829	115688	108365	107213	107761	116709	111919	109961	105062	115669	112689	121112	121764	134957	132328	122321	122686	134706	137770	71585	67561	109691	106827	123278	126474	105154	113282	2149086	2148364	2261563	2257375	2623740	2722276	2078721	2062159	1989596	2029101	1486020	1527170	2400774	2441255	1761684	1680843	1824444	1785007	2070296	1882367	2153457	2169560	2483533	2397689	2470087	2433589	1345516	1353221	1999619	2004643	2162601	2199881	2184386	2295839	1866006	1911398	2651862	2725085	2742230	2782590	2209346	2196403	2801794	2797804	2622008	2651684	2484657	2500662	1403470	1458734	2448713	2474519	2482207	2439419	3089056	2876761	137135	136955	134512	144523	113397	114468	140256	139230	149925	149488	148492	143282	139830	138777	146505	144119	140745	147964	152153	149082	148596	149486	148827	157242	142696	143668	142240	139923	149174	153098	152378	149770	137626	146037	149596	150560	142171	147212	144074	146030	114335	118466	153504	154039	103672	109825	159912	152797	156925	150381	77298	73039	81897	85057	79721	76589	93723	96344	80432	80388	87870	79352	103103	102871	90028	88477	66794	75817	87667	88131	70180	68125	78050	71057	79912	79888	71176	65897	78549	80952	91022	88081	76164	73749	87381	89625	67305	66097	110826	108912	79810	72100	60510	59602	83459	75361
Citraconic acid nullnullnull 1.5739998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33545	19980	22865	21664	68085	72324	56041	70797	33326	33288	1	12983	56036	53092	17884	20555	39303	31957	88883	86302	92568	85750	89705	80834	143343	145731	39514	25276	95609	75256	145145	147348	73372	60974	1	19503	113521	132436	180127	178537	120059	119428	227176	222788	55359	71023	69910	71022	51011	47787	62786	66192	23119	34130	44330	54405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
440.0619@0.8969998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7564	8616	10024	10136	19956	19034	1	6773	1	6586	1	1	20793	23438	1	1	1	1	1	1	1	1	17959	15551	16369	13450	1	1	25677	21687	26216	22151	16470	15895	1	1	17402	17580	16033	16915	1	1	22102	23130	8136	7882	9387	9247	1	1	7486	8185	7431	9333	8880	12185	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
235.085@7.4920883	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8519	1	9731	9486	1	1	9387	8200	1	1	8317	9099	22972	24026	24847	21785	10551	9592	15965	17347	10821	10472	1	1	7893	9197	17976	20560	18020	17494	12348	10545	17681	22544	9081	8214	12407	13446	13715	15536	9233	10645	14658	13301	13422	12092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11273	11486	1	1	7999	11205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8520001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12786	10838	18255	10758	24494	20200	10958	13548	10660	5994	10535	1	23150	24885	1	1	1	9617	11462	12473	13732	9364	14942	14057	21369	17074	12842	12119	32094	30287	31708	29271	32126	26532	16002	8011	28501	34628	24795	26128	11149	12537	21448	23866	15738	15522	10089	16959	12481	1	11756	13869	10687	17725	9698	7775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.8893@0.8510004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17104	18485	27858	24062	26347	25208	13626	15456	16715	21774	14211	13614	15813	9593	12838	11503	13686	16065	18776	14395	15840	6853	14157	15436	20373	22350	16264	12714	20728	20081	18001	23186	20826	20172	25383	20894	24753	18919	22991	20113	16750	11708	25336	16095	25890	1	1	12259	1	14212	21660	20816	15236	12107	24645	28710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
489.6684@0.8630001	13280	7822	9692	12769	10132	11072	12266	8333	12004	13394	10253	10731	10766	10155	9338	10788	10463	11180	10157	9727	12183	8621	9366	11286	13177	12125	12734	9203	11390	11184	11736	10425	13966	11957	8573	13359	10975	14120	14167	11815	11303	11440	11007	11661	12141	10942	10489	9904	10383	12401	8808	10258	12032	1	18027	15959	9221	12613	18552	20403	18992	20129	22903	14997	23275	20881	24326	21939	24797	25862	12490	15730	12451	15866	21474	20264	24351	23170	23639	30110	15157	12005	18320	15033	23498	18484	6429	13329	13555	14800	11844	13602	11956	13634	10142	15805	15881	14402	21378	22612	16245	17373	18961	21145	19267	16999	23078	22731	15919	23439	24284	21312	20803	20974	7501	7414	1	8986	1	1	7030	8329	9154	1	7207	8296	8495	7246	7936	9492	7827	7716	6703	7298	8144	6548	7026	8926	8198	6105	6675	9713	1	7123	1	5840	9433	1	7448	5990	6599	1	7955	7111	1	1	6812	7477	1	1	9406	1	6511	7968	1	1	7817	7265	1	7385	1	7938	8069	1	1	1	8696	8979	1	1	1	8752	1	1	1	7186	1	1	1	1	1	1	1	1	1	7578	1	1	1	8044	1	1	10614	1	8116	6845	1	1	6628	1
742.7437@0.8740002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12755	8424	9668	12807	18938	22035	1	1	9116	1	6763	1	24521	22984	1	1	1	1	1	10571	14351	13082	20743	21257	20514	17997	8802	1	17127	18454	16825	17242	19639	17256	9597	7271	23609	18610	20453	21039	9401	1	12568	19312	12307	13665	10375	10195	1	1	7538	10328	7499	11103	16207	11926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1039.7992@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7316	1	1	1	1	8751	9793	8774	8653	7194	7228	12189	13142	15041	11941	17091	20538	10420	1	1	1	8793	10340	1	1	1	9399	15083	14294	11629	11033	11672	9850	1	1	12973	13458	9671	11683	19638	15737	1	9195	8928	11358	10867	9615	20678	20475	12295	13083	12685	11038	14416	12231	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.9655@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7635	1	1	6671	20836	20348	1	6752	8062	1	1	1	26877	25478	1	1	1	1	1	6276	1	1	16846	18863	13674	14393	1	1	32407	26979	25252	26869	23489	21009	1	1	27805	28370	19266	18793	1	1	18797	15051	7498	6869	8428	1	1	5859	1	1	1	1	9510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chaetocin nullnullnull 11.6500025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	65178	60220	46217	51487	23013	51463	75453	63412	46405	44727	52607	45466	1	51621	38807	34274	31414	28757	26890	38153	32691	40563	63882	37226	20230	21722	36768	36700	30293	30569	30475	34975	27053	29899	35794	24973	41206	33785	46104	35709	47671	43964	39036	40740	29188	34936	41140	29010	34269	28346	35798	38500	29053	35158	61608	28600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.0024@0.97500026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8586	12001	1	1	1	1	1	1	16602	20296	1	1	1	1	1	1	1	1	22685	22023	20914	17503	1	1	25033	26821	22393	18612	29172	25825	1	1	17418	20908	11976	21419	1	1	14994	17368	10031	1	6613	1	1	1	7606	6368	1	6666	8023	7519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O3 nullnullnull 0.8394454	105918	114193	103439	120973	140926	138971	211188	140848	173897	161970	167221	105126	161346	212743	113800	110821	187045	139749	102637	100371	131078	141857	106367	121806	165266	154456	185803	178860	131915	183184	179990	108847	220621	219961	167243	139246	211463	138425	150753	117975	148510	144973	240706	249953	152951	235654	181284	184184	140629	226708	233321	158587	153967	177850	186192	197533	197384	276500	91412	118408	113079	117060	78246	76492	132863	107245	129036	102931	79379	83857	106850	68373	115520	146100	57929	111491	138539	134597	92424	141749	117834	100606	74034	95985	138008	106315	61114	61329	94210	61917	60719	81076	34475	112229	106696	118925	127695	125959	157763	55984	137483	172660	179775	174892	59773	138450	148381	195144	163635	153260	179195	177260	218412	205398	204685	192756	224176	225136	188903	196896	165430	200916	183600	155633	231976	233945	198598	211275	175421	199537	173440	169225	175998	228089	219101	188477	259478	153080	238345	163873	164916	237028	267314	185597	228794	228709	232783	171179	218301	192200	182757	188472	235054	236015	196096	212577	236534	237813	182620	222357	197898	268141	240997	171491	178626	165360	185570	176919	197079	157671	179875	193941	202654	206472	180576	193825	221361	201951	188158	193133	176629	194745	214822	232841	198634	196261	214325	212665	180459	211419	220437	204952	202478	193656	183404	253144	186039	215666	195527	244963	225981	208166	225492	218944	236935	235429	213035	225782	254884	208415
C16 H2 Cl S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31646	29734	28103	26271	31781	36008	28472	28560	28831	22660	11851	14702	38047	34585	16507	17294	21060	16981	27378	37899	35482	33165	31847	29266	28004	27019	10123	1	24925	27755	24530	25281	26601	26079	20995	17927	28809	29473	27723	24326	19155	21834	26252	22962	25317	23644	19741	17639	1	1	19493	11289	23831	24164	31688	26950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
680.5916@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17304	23840	17206	20729	20629	17651	16838	15178	20317	13733	14989	14443	14256	14745	13297	13062	16804	16057	20675	14500	18720	24985	17468	18552	20938	20386	15715	15629	13190	13986	18436	17088	17208	16090	17272	14229	17551	13713	17378	21735	17905	12955	21795	18599	23799	18228	21038	19439	14373	13392	15777	14044	17540	20319	15597	20802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
176.0277@1.1640005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27641	27416	52200	50760	105834	100764	860966	862379	12635	14031	57074	59038	54502	70581	14865	11278	77489	76074	866112	842390	752672	791805	123171	124199	589238	597234	732566	720638	80864	153576	127427	155654	59517	72258	22649	42541	92373	115728	467626	485116	434186	426136	596473	522657	214211	222942	193118	179498	28744	30793	42492	39536	38902	41750	63126	56464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.0713@1.2675554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17027	14929	7714	1	1	1	1	1	8474	9444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26269	24852	18964	23858	10895	13956	1	1	27293	29089	9664	13260	7906	1	24349	22599	1	1	1	1	7091	1	1	1	1	1	1	7633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6514	1	1	1	1	1	1	1	9186	10536	1	1	1	1	1	1	1	1	1	1	8701	10358	1	8278	1	1	13111	12609	8861	8911	1	1	1	1	1	1	7936	8495	1	1	1	1	8693	9083	8019	8855
Mipafox	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67281	64631	43645	43966	44688	1	1	1	1	63365	1	42973	114733	110049	60316	1	55082	49081	108160	156500	235560	174949	195303	173838	92314	69443	69238	68561	65232	46038	53218	55296	1	130408	99286	99551	152338	149541	87319	83816	207169	136772	70358	70244	113854	104004	1	15130	207904	286575	105159	124788	1	126025	181391	148495	116165	112381	176934	151892	109273	119618	121824	98001	126619	121619	66424	60926	93507	83734	79389	76342	103489	130394	179605	172954	151867	174168	60738	56195	46506	47079	73592	63411	125527	118911	59666	52916	49634	29944	107894	107082	76982	75535	339631	295943	70048	65451	126386	160615	70227	57926	77780	78994	65071	59966	49782	22406	131522	146177	42236	48704	107046	93487	96115	85727	183655	168345	53218	63246	31052	32867	34460	30012	72532	79524	191273	143823	126037	128784	39168	37082	38426	40808	96314	98474	83077	87387	44830	49406	94930	46936	26983	29036	41545	28919	1	45057	63958	54283
135.0547@3.0075812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6154	9007	1	8473	10186	9856	10357	1	6331	10009	1	1	9049	10380	1	1	1	1	1	1	16902	20794	64836	75473	34050	29148	21355	20757	28604	34773	16483	19421	41616	44494	1	19934	54806	59089	32650	36125	1	1	22640	20065	23295	22852	23157	22633	12839	15252	10460	10364	1	8778	42979	32766	9103	69854	7113	65079	56614	51864	66883	6534	8776	7332	9201	70425	6917	52197	52266	7322	116150	9401	69935	63699	5754	9085	8488	68108	73886	9558	7814	51436	8752	66001	7721	6741	62313	8753	8683	7482	40316	9422	51700	7643	6190	7689	7649	6888	8575	66936	35286	51666	6662	38726	38183	29238	26708	34835	30396	39442	35953	1	33897	16253	23608	31687	49527	21190	10112	9955	11990	14936	8935	11509	6347	9577	9364	9460	10651	11756	8682	12520	11827	13740	8418	28364	12363	9653	9397	36558	10068	11303	8718	11995	10141	10621	60144	10402	12444	14315
603.5958@0.86318964	34889	35221	38391	34549	40543	35632	32598	31787	35104	33852	39170	39313	30083	38895	34505	29821	31824	35953	33123	31617	35121	37105	22525	31109	33012	28601	36576	35463	34579	34768	29656	27430	24705	31853	23644	30231	30009	27034	30249	35716	22890	31786	24624	27032	28830	27549	28292	27396	25537	27068	13405	17605	30665	29799	34736	33132	24730	27985	20272	20729	21610	22111	12392	14820	18683	21903	25529	23284	22565	19240	9205	13751	13054	12517	21558	19224	22898	20224	18454	12357	9751	14593	10827	12941	22694	21685	10291	11498	11489	11746	12560	9772	11298	10597	8921	10120	11545	15044	18496	19647	13673	12974	18373	14054	15737	16852	19232	21959	18707	18857	18602	16496	13352	20914	13504	11650	16377	16498	8740	7983	15616	15358	18842	16182	16566	17811	16542	13699	17282	15300	15382	15638	14913	15819	14845	14890	16794	16239	16095	15376	16590	12844	13350	14989	16225	17904	15897	18520	17898	17764	17190	16549	17418	16347	8285	8460	17508	17362	8595	8785	15214	15197	17830	17537	10635	11050	12039	11390	9497	9760	17031	15745	9030	8842	10921	11449	14207	15482	12907	11511	10482	10124	12731	13396	11210	8919	8191	9021	13331	9861	8764	8431	10848	8306	11756	12079	9482	8176	12653	13471	8058	10089	19820	18407	10871	10564	9247	9758	10027	9405
709.0746@11.652071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41966	44867	51877	59010	41572	44617	70085	53034	61496	50734	53974	69283	47501	62792	1	24613	16717	23316	1	19124	1	15306	1	1	1	17041	20050	1	19445	23400	27275	17759	89414	22772	25272	25273	1	1	17202	21768	16765	23544	13103	16714	22148	27597	1	19949	19262	27989	16734	22407	22209	23471	1	20503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H6 O7 S2	15270	16880	14687	13944	17625	17256	13216	13859	14518	13660	16313	11442	20103	17435	13132	15258	22543	14516	12757	14842	18008	14985	11821	13337	14442	16320	14873	17370	14618	17403	19423	16290	24657	19722	18908	16082	18877	20403	21073	16647	15277	23559	17918	16885	16011	16570	17209	20697	21927	24677	18115	15348	24860	21905	28310	19646	29114	20602	25747	17605	21115	21830	21278	18058	26696	26509	24130	28109	20114	21818	17676	21582	14110	12659	17267	18122	19376	27621	22490	25048	15884	13134	19569	23735	20473	22498	22179	20834	12950	17366	10607	9912	17399	11712	7440	9478	13394	15114	18510	18300	14386	15162	18635	14125	18545	19847	20102	21609	16380	19828	17316	19495	23799	20132	25577	23811	27992	26488	24265	23366	29568	21307	26806	23413	26097	24583	21527	26119	24200	22097	28114	27781	22546	23220	24987	23788	31397	28795	26276	26403	32145	27020	24220	23555	23037	23994	24404	23377	24474	30866	28036	21357	27146	26070	16149	14198	27286	27272	22868	25063	24620	24260	24317	27149	11069	15119	14385	12909	10024	12766	18081	19549	15397	12848	15167	14920	20489	20901	13052	14386	13876	12631	15366	16056	13409	14298	13443	15012	15633	15401	15106	13872	16736	16818	13546	14116	14897	13099	12452	15183	17032	13626	22459	24948	14441	14046	14401	14888	15340	14098
963.7883@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9316	12005	11132	12523	1	7896	9305	10315	10835	10670	9356	10979	1	10286	20419	16981	13438	12134	14155	1	1	1	1	9002	10479	10549	7435	9247	8320	12471	12293	13257	10322	12032	14804	13047	12947	10906	16196	17488	16224	16674	20391	16325	20615	19525	19832	18187	14130	5965	24111	19661	18479	23562	24687	20629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H16 N2 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12387	12266	9905	11105	19771	18965	14672	11184	9002	7966	6409	6627	18904	16153	9930	7790	8887	9852	13847	12417	19236	17835	19614	19442	16835	16346	6510	6269	23251	22168	16849	18907	16391	17426	9584	9386	20315	17428	20350	19585	15227	14672	15482	13317	15426	17118	10785	13101	1	1	12913	13448	12327	15084	15947	17538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
508.8179@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16056	12990	12463	12847	16447	20028	10891	9664	13199	14078	13290	13712	25978	25647	6541	7407	6630	10317	12655	18788	13759	15804	20284	18341	15472	18548	13361	11328	19155	23712	19211	19357	16773	12813	9393	6476	19883	16388	14536	13764	14019	10879	20431	17404	15249	8660	12693	9357	10487	10858	13500	7319	9288	10234	12200	11911	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(24:0/P-18:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23348	19953	19049	19258	36863	33947	21637	22926	18458	18328	12078	11965	38901	48008	9420	12489	11289	12432	14493	25309	25952	23165	31039	37258	34336	35644	13635	14340	34940	38704	32521	40615	33820	32127	13297	10783	35424	33629	18855	29891	16408	15329	30279	30386	18274	19132	14552	20075	13880	11936	13963	13395	13435	14782	15062	15902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
289.8238@0.87054265	27216	24176	29688	27223	24209	17986	24899	26681	25994	24367	21402	25947	27720	22619	25399	25101	27277	26921	23944	25141	22644	19215	26043	29192	26923	25176	23684	22888	29071	31756	7587	1	1	8845	8690	7566	1	6454	8932	8222	1	1	1	8858	9123	6881	10418	9878	7741	1	1	1	9509	10335	1	1	7311	7995	19045	19445	17940	17726	18783	18878	11001	13374	16516	15944	16066	13331	22564	20762	13114	14476	14534	16432	11977	13209	19396	19079	23266	22862	24061	23323	15460	19609	15815	17252	19072	18306	18852	18464	16146	17877	20083	19257	23573	22036	15587	16135	23063	21818	21371	19861	19599	18909	13845	15754	22596	19904	20846	19191	21804	21202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29832	40918	31511	35895	28503	19057	34017	39492	35875	40867	37538	33288	33878	26844	24225	23042	40303	31119	28979	24121	33652	22644	21454	22899	20949	26302	29273	31533	30920	30274	25179	30063	31573	26227	18747	26389	27769	29407	28811	23886	37184	37756	30924	30808	33089	31721	36916	31813	30182	28404	29741	31966	29446	24353	31179	31495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H12 Cl3 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12697	7084	13122	13862	23272	30736	11178	13190	10238	13268	17738	16167	32811	36693	1	1	11712	1	9918	1	10060	10461	26680	25998	21599	22800	11977	16967	22077	23692	17670	20201	30580	30839	13608	10367	30508	26388	23095	28940	12234	1	20328	21603	9278	8371	15481	10490	6569	1	13327	16471	13997	8142	17433	18719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
184.1828@11.226996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140527	1	78179	164587	1	1	189615	1	168598	67551	60578	1	1	1	87056	1	84882	1	78118	78998	81900	98610	1	101091	88373	1	106104	131460	216283	66367	11728	93265	166172	1	99005	126207	120173	41982	284708	100491	108501	1	87711	269741	103082	100575	1	112567	1	107111	111676	1	111459	1	2759494	101003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.0118@0.9116219	92630	85327	111001	111858	73914	72646	117901	121888	104718	95058	69211	73575	100140	103259	107303	100527	90530	99007	99931	96963	59611	62142	139588	148291	87816	92025	79229	83834	121444	129711	1	6789	13366	17531	1	1	17175	17843	27535	30248	11867	15946	1	1	8574	9864	21910	23756	1	1	1	1	28739	38757	1	1	19730	23732	12049	10086	9592	9319	19260	17633	1	1	1	1	1	1	20219	18269	8145	7034	9472	9419	1	1	12566	13806	17394	19868	16896	16007	9216	7338	27321	25092	21923	21486	18886	22711	1	8307	24466	23651	18786	20425	14938	10307	19997	20949	13397	13110	15408	14312	1	1	14888	14406	10401	11701	18234	16335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.9396@2.811999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	196908	1	167882	1	1	1	1	1	1	1	1	1	1	77684	398313	375897	570309	1	251172	420278	86321	1	1	424621	261915	362353	129473	1	315697	369939	336424	178455	235287	106433	314931	678160	142797	226675	270100	316958	445507	67719	82018	144680	318664	242043	195621	1	325289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(17:1(9Z)/22:1(11Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23074	25625	19979	18232	23513	19916	18283	27588	26823	17558	19549	15092	25270	23627	13111	12673	23053	24387	28427	29140	22636	19725	21179	20551	22374	22095	16398	14644	22677	18549	20587	18050	20706	18260	11586	7105	18683	18284	26115	18332	20039	21814	20069	18382	17450	22733	25875	20877	22846	26379	16208	16144	23153	27484	27251	20414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
440.8537@0.8549997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8662	1	1	8626	16700	14828	1	7078	1	1	1	1	19910	19928	1	1	6966	1	1	7200	7186	8057	12769	11443	9979	11172	1	1	16145	22773	15523	14545	15949	19216	1	1	20591	19343	13611	20464	6976	7299	12410	1	9586	8832	8982	8776	1	1	7179	1	1	1	8981	9918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.78782487	545593	491838	31250	498364	641085	9435	607776	448185	87919	426985	585208	327877	612901	528051	416417	61660	97936	453470	459047	336957	510210	58655	52039	74361	56581	69633	80048	77296	73543	148549	75240	88687	54977	96876	16869	95126	90364	59214	53046	66672	290433	113303	76975	121265	55637	67982	47592	81465	41308	66980	7173	31882	40261	89526	12726	65998	14834	100574	295317	257245	402982	647538	297670	226189	308020	338951	333055	327376	347919	279375	259398	273244	48125	124256	150625	92734	82033	61201	137560	52296	43029	70675	71846	512231	38724	69808	16066	81925	621352	61643	72769	73658	6628	305209	51898	53837	1387565	23406	86970	43534	56409	41087	59377	5825	35839	55086	30623	46325	285266	26899	44098	10890	131457	45227	65876	73355	97141	69476	87362	60761	63217	53055	66489	41961	13915	65403	61910	45000	57021	64476	67682	90194	411812	396431	417937	434714	369132	83185	307169	407561	343186	371396	403726	419675	346293	328788	315227	319379	312223	314259	351161	357990	321023	314034	299882	344675	308309	318856	7774	11522	340978	343383	368804	305484	15789	314615	25528	19887	80157	81125	77255	9034	43790	66120	68055	74586	63569	74165	96112	41202	92112	47909	5258	10499	6938	7470	66317	69381	65416	73577	74739	7913	62914	74230	61010	5499	79759	80148	81456	31796	75873	7877	32325	65718	60743	90741	77797	78025	72918	45388
233.1266@1.2469999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7464	8869	1	1	1	1	1	1	15277	14581	1	1	1	1	1	1	1	1	6166	1	8220	6640	1	1	23074	21424	8763	10937	10195	9915	1	1	8518	8805	9113	9262	1	1	7577	6264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.9898@0.89799976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53507	63412	60996	55920	78114	73226	66611	61701	63687	61621	52619	48168	79744	82081	45983	38845	42508	51681	56402	74153	76607	68826	71425	61180	70797	63848	46528	47187	62189	54364	57673	60585	53074	63456	44552	43068	63743	62424	68402	69069	44089	49563	66350	65147	51996	51585	55800	55554	45445	38358	52991	51797	55893	47843	70770	64919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
831.7944@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74712	68996	75160	81707	69019	65168	83698	80856	80872	85370	69179	70125	46739	51986	122878	116197	122304	119583	88892	37463	35040	33997	35403	36793	49344	57660	62801	58265	49511	38481	55413	53212	50374	56451	95696	99485	76566	66869	78542	78638	126978	125441	91356	93795	119355	120299	117694	115391	95228	103859	115462	122120	122238	117055	157069	128478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.8412@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7339	11092	9864	10826	6900	8645	10263	11891	11832	12214	10849	11593	10987	10176	5523	6165	10098	9649	9558	14462	12994	12800	7125	8205	9351	9483	9837	9077	9023	6675	7995	9774	8227	8277	7343	5523	7108	7922	7509	7911	9688	7928	7855	7762	5925	9013	9374	8137	10118	9794	10034	8043	7961	9249	7765	8297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.5191@0.8569999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7208	1	6993	7533	6678	7978	1	7619	7925	7469	8042	7863	6405	1	7099	1	8611	11421	9277	1	6176	1	8508	7079	6296	7202	7505	6953	10360	13541	8205	10971	9902	1	7805	7768	11918	9237	8182	7405	9156	1	7380	8901	6983	10408	9285	10332	9085	8729	9591	8182	7543	11035	10246	8017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1229.7137@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15334	18316	22755	24836	17659	14237	23639	27041	24151	20983	19478	19040	11163	11369	28005	29798	28316	29380	30011	11738	7929	8061	10901	10593	13692	13293	18891	18876	14524	15919	19616	18075	16788	23586	29086	30429	23308	24918	26367	30746	35130	31932	30892	29335	29855	34206	33727	30046	25672	22561	30261	27600	28396	30555	35745	31220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1056.873@0.69509786	1	1	1	1	26652	1	1	1	41624	1	1	23202	1	1	22652	27751	1	1	1	1	1	25191	1	1	26056	25226	27173	27585	31365	41296	24390	1	1	1	27271	26447	25679	1	25813	26131	29314	26176	27257	23622	25231	28993	26070	29749	29111	26317	29972	32974	31445	30421	30919	28103	29795	31827	1	39358	1	1	24693	34448	1	1	1	1	1	28859	6201	1	26803	1	32116	37232	31458	29658	36975	26013	32548	30025	1	1	1	28374	1	29370	51821	24224	28194	34070	82282	1	21581	1	38228	23139	26053	1	28434	1	29103	22639	27528	1	48974	1	1	1	29179	27159	1	1	34280	26999	27149	1	21963	1	1	31163	21865	1	1	23885	23660	1	1	1	1	22321	28747	23856	25565	24635	25322	1	1	24325	1	22431	23908	24011	21889	1	1	1	1	22218	1	22300	24316	1	1	27968	1	1	1	1	1	1	1	1	1	1	1	1	24248	1	23176	1	1	1	1	1	1	1	1	24652	1	1	1	1	1	1	1	1	1	1	1	1	1	22785	1	1	1	1	28356	23645	1	1	1	1	26847	26344	1	22863	1	26625
855.9893@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17845	15943	1	1	1	1	1	1	20890	16581	1	1	1	1	1	1	1	1	14760	13836	10295	11409	1	1	22683	23640	18807	19771	17116	16588	1	1	20440	17970	16221	17529	1	1	12760	12712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.9667@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9063	9053	1	1	1	1	1	1	15664	16157	1	1	1	1	1	1	1	1	10649	9992	8557	7149	1	1	22243	22493	15614	14956	13309	14544	1	1	13537	15538	11752	11266	1	1	7087	7760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
767.6986@0.87015885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40697	56880	30384	30636	42800	37969	49578	44099	48975	47913	36201	37384	39470	36898	32227	30908	53580	55744	52978	55045	34646	30187	20850	25388	33365	38829	34944	35159	20462	27118	26430	27295	40677	26135	16710	15655	30764	33218	37218	34563	42784	50174	32568	36360	39593	39324	38098	41216	62752	62180	29962	29302	43429	49346	60450	51139	25981	25822	36746	32997	46921	39286	41580	39191	22478	31971	36182	39564	33120	28160	20676	23340	32397	33917	25135	32654	23783	23212	33909	33856	32109	32681	51823	38798	25751	30742	36333	40547	31371	27903	35590	32811	40386	41584	26471	30715	27034	16029	20956	25605	52049	44603	33053	24137	26782	26971	13510	21368	15950	15144	19451	16912	17140	19449	25425	23755	17611	18341	17522	16816	15831	15379	29372	33940	12247	16711	28197	26553	37963	38989	19075	24916	26142	27494	49968	39376	17146	16691	30560	32230	16794	16150	33615	33737	14106	13400	27409	25533	25240	26645	28050	27627
C7 H11 N3 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28745	22308	8477	24087	66930	68560	21254	19796	27923	25600	16953	20106	89216	80451	19146	16730	15829	16620	7031	7208	23679	19514	51514	60250	51913	58151	15571	18019	99878	103509	91635	104115	69342	57767	25557	24789	70067	75988	68272	64589	23416	19615	82364	86005	33066	7153	39809	6875	10084	10694	38382	39161	6077	6022	8771	9576	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.9155@13.016002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	176804	1	1	1	1	1	1	1	136990	1	193226	1	1	52733	1	1	295558	120189	781332	1030271	773461	1	107746	181377	90687	1	1	246106	391934	218573	1	1	604418	1	666524	468123	372310	1	244085	162006	1	1	585833	212513	1	1	266067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
234.0547@0.9749996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11627	8951	14397	13648	20701	15108	1	7595	9359	8748	1	1	27453	34016	11763	11984	11277	11566	14765	15208	12758	13401	26748	33236	24474	21535	1	11167	37761	38673	46854	32254	39243	31582	1	10614	30845	41273	41529	37147	13516	12385	25344	26984	13617	19561	19122	16276	8485	7731	16851	14728	16424	18936	42479	22311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 N2 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27197	28937	31945	29718	24864	24866	34963	32418	38975	36725	24362	27260	26927	30607	28788	27260	37052	40946	39133	39913	30825	32782	15909	12488	28063	26007	27305	26791	17960	42989	15278	14064	27964	52226	43486	27260	26991	44628	26016	26208	30127	29499	24234	27802	27860	32183	38539	35873	39732	36268	22493	23121	21809	24983	28671	34966	23155	25439	30486	29727	28576	31242	31471	34753	31828	30844	27448	30008	25283	22577	20731	17480	32104	31037	17626	19841	20059	22327	32230	31272	22391	24913	30240	31935	21363	21327	36196	32970	27129	25333	34953	39446	33582	28001	29221	30750	13300	13502	26246	30249	31669	30114	19914	22075	22400	24395	14062	13794	16721	15065	17319	16036	22938	21882	20695	19933	26115	22659	14295	12901	15171	15126	15731	14818	15980	17099	16871	16183	19546	18157	16433	15725	11017	13510	18326	17496	14418	16778	17908	15666	15335	13408	22855	13132	17801	15919	15999	17169	12212	13582	16944	17861
897.5808@0.8720004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22206	25874	15998	14331	15211	15417	21586	22604	24610	20553	21301	20618	16402	16101	12525	9762	27062	22838	28985	21685	15238	21108	17013	11617	21135	18756	16137	19408	9730	13056	12756	14226	9331	13087	1	6356	14996	17208	12942	16129	25097	20325	17349	18128	20286	22877	21989	18537	27491	27466	15780	15590	25686	19765	27965	23169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1018.9575@0.87999976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11547	8853	9329	11317	22423	25563	8847	11271	1	1	1	9244	35731	36035	1	1	6865	1	8044	6844	8317	8102	25502	21659	16083	20885	7668	1	37975	46269	44660	33287	27157	22148	1	1	35709	33774	25721	22814	1	1	20329	16201	1	10170	1	9739	1	1	1	7423	7112	7752	10224	8907	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H2 O5 S	12926	7775	11172	14811	21181	9908	10793	9932	11755	8070	11737	9955	9933	7949	9484	8908	10961	11998	8726	19884	17038	17484	12362	11340	13180	11191	16892	11009	8758	8633	15579	31032	31977	16069	17600	13712	15653	19490	14544	14832	16599	12342	18729	24341	26447	16107	23108	21609	17606	19920	22681	20967	18004	25752	21421	28283	20052	18338	13365	9231	15092	12907	9957	11401	14033	23403	13245	10004	15678	10668	8253	10725	1	12457	15307	14501	12631	1	18179	8934	1	11883	12017	11378	25046	19195	9342	7281	13440	13934	11638	9166	26926	30142	13280	7736	12369	22764	13305	23647	1	12975	22444	10520	10697	15347	15928	17183	17082	11724	11718	12335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H9 Cl2 N O5 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17428	15478	15104	14409	15105	18352	15742	16525	16472	12169	12707	14397	10331	14338	16011	14138	13604	15298	14157	14849	10559	11060	9440	12388	11314	12951	12684	14280	15040	17865	17528	17263	18972	19344	15225	15605	22651	19262	18970	20443	17406	18052	21687	19918	17326	15891	16676	17866	14120	11505	16543	14501	15855	21279	26786	21475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H21 N7 O18 nullnullnull 11.5390005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137579	85730	67253	99746	56368	92515	92819	58907	55072	77678	69896	70410	70388	64312	26061	29178	46126	18903	23506	22722	37487	33645	1	1	47459	41679	20395	26404	41293	18336	34963	22925	20273	31522	27716	24078	39026	21647	38891	23374	20344	25798	32675	33240	26432	49522	1	24848	32541	25177	1	26805	27762	26874	1	48596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H17 N O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16410	16435	15372	18826	23283	23156	15171	13650	17323	23515	1	1	29717	31313	8890	8401	11580	12265	10535	10685	18795	20317	19874	22215	22024	22901	1	1	27607	29238	16645	19180	23780	22477	7185	1	28455	25917	27938	28557	14843	14922	15655	13663	26826	27772	29852	26836	1	1	21399	22089	9601	10617	23970	24133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
331.0563@0.9318196	17042	16858	14106	14836	7116	10960	13004	11229	8157	8750	8244	7769	7315	6506	18582	12695	6884	7683	6463	6183	6519	17954	1	12036	6971	8615	9072	9816	13507	12372	17981	18629	27813	23064	19357	18425	24151	23313	15490	15913	20338	19481	11940	12193	7597	6944	14630	14543	13188	12297	6669	7359	15237	15495	24059	25962	22087	22779	14657	14929	9905	8909	15666	11520	12223	13808	17112	14088	8888	10701	9146	10249	1	6071	19359	19258	23556	23504	6091	9455	1	1	8389	10349	8153	7314	10171	8500	1	6236	7397	9053	1	1	11462	10292	13101	11787	14314	10745	9928	8958	7068	8233	9708	10569	15850	18590	1	1	10203	11927	17790	15474	18740	20152	33937	31649	30836	32134	37684	35394	26236	26172	26680	23954	21385	21450	12939	11690	27153	31447	13148	13471	15461	12737	36110	30248	21157	22545	37723	37793	16438	15863	45002	47406	25573	20636	44558	39472	38332	36177	27225	27007	8528	7219	22007	23002	36749	34838	14217	16460	17687	17713	8769	9284	11462	12217	6432	9670	20665	21557	11703	11505	17117	16489	9478	9645	11227	11069	10061	11040	12565	12451	10592	11873	15132	12121	14480	15663	6519	7682	21694	22258	10071	10452	13587	14663	11732	11628	11121	9446	7549	8003	10889	10315	1	1	7634	8027
538.7089@0.8679312	7018	9989	7567	6945	8026	7776	7447	9848	11028	12179	7568	11667	11696	12100	1	8519	8868	10327	7815	10764	10492	8391	10335	9463	9095	9759	7086	12263	7590	9039	9294	10331	12031	13262	11282	9754	12947	11284	9023	8644	11123	11563	12769	1	1	8917	10051	9305	9818	10038	1	1	14019	10560	7348	8577	15672	16453	14215	17561	14143	18591	17807	15465	21060	19341	19346	21294	19328	17648	13842	13301	13040	13924	19563	20129	18713	16960	12984	15428	14789	12380	9867	14508	21303	15961	14192	12660	14476	10624	11420	15092	10481	6882	14058	12329	13693	17733	24610	15461	18983	18333	21630	22327	14065	19437	21915	21134	15843	24173	20665	22212	22687	19805	9510	9379	10578	9334	1	6275	10074	9002	9513	7600	10409	9382	9237	10029	9665	9244	10056	9564	10833	10548	8245	10200	11163	10803	10892	8228	11647	9459	10319	9199	10241	11109	8019	8997	9871	8677	11607	10635	9932	9185	1	1	7669	7813	7789	7318	10432	9947	8820	9778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ascidiacyclamide	13244	11383	11470	13267	12957	14526	13804	9288	12803	11305	17240	12056	11537	11791	13586	13922	11729	12587	11284	14217	11991	11889	9506	13284	13893	13709	14979	12605	11601	12279	13306	14627	15172	13976	14135	17531	15725	15469	17300	18009	14919	15990	14870	14077	14355	13020	15691	15740	13500	11747	19058	14867	19267	20187	11687	13344	16332	18430	10127	11588	11398	13829	7697	7233	13232	12669	13721	15411	18649	16550	17622	7344	22412	21495	27730	19494	14121	1	1	1	11458	6430	7682	9548	15317	17876	24373	24339	7706	7340	9601	10840	12734	14975	10785	9833	15440	14023	26065	22975	16912	16884	18244	19191	22062	20516	30537	24820	21361	20900	19157	20905	26491	23711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.8195@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19820	18087	20069	21614	29049	35831	17958	17286	16770	20528	17110	16416	40634	36803	13778	13676	18385	22312	16066	12910	11716	15437	22882	30396	26958	27959	14965	17101	39157	46021	39958	34975	35317	39505	23778	25483	46911	42756	35784	36904	23814	17221	34014	37928	26590	25179	24803	25317	18541	11956	27732	19927	24846	19822	32630	30575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.0257@1.215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22861	25117	1	1	1	1	1	1	18524	19608	1	1	1	1	1	1	1	16908	15723	1	13525	24219	1	1	1	32847	27775	27351	11899	18006	1	1	24552	25986	28006	1	1	1	31325	29173	1	8992	1	1	1	1	1	1	1	1	18881	8996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
199.9411@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	197523	193046	190750	192647	139550	130366	229004	228431	224576	225024	186136	190500	92523	93442	159221	156359	207099	206808	236507	217916	166280	173274	92406	90640	117033	115573	171602	168648	71120	70450	86876	83199	80794	89880	121409	118975	109698	103797	117071	119478	214584	202874	131926	134305	172966	187953	181578	179486	203016	203243	172437	169044	203452	200130	212075	209852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34183	34076	47856	43310	25210	30851	35567	31153	46149	39578	34882	33607	98454	96695	59224	47678	53756	61930	36087	30050	24187	32205	29464	26595	24663	25757	24578	31680	63501	44151	56335	24332	71704	39142	38127	31801	73265	73845	30741	23010	31119	45516	58469	26806	48749	34991	52068	53683	37841	35945	32619	31851	45489	30357	1	17004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.9068@0.85200024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20340	21965	13166	14766	13942	14309	14610	15176	16110	17401	15563	15860	26026	23796	13561	12294	11146	13705	11333	16370	21085	23653	23352	18759	25158	20450	15533	14176	18557	18527	14595	12084	13760	15818	1	12225	18669	14511	16095	18496	11909	11034	15696	14355	15796	15113	12960	15254	12605	10306	12760	18770	10910	12147	13209	15712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 Cl2 N S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28178	27453	23646	27276	17849	19866	28021	28717	25110	28542	29909	28407	18683	16547	15403	13221	25883	23288	24088	27799	25687	29222	18373	19327	21967	20349	26725	25757	15511	17465	17044	14919	16706	16534	14924	9985	14329	16657	17347	14539	24691	24037	18604	17591	21234	19141	21676	20069	27871	26464	20767	20289	22101	21579	20000	21538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
418.0112@1.1819994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6978	6894	9064	7215	16145	14361	1	1	8705	7626	6594	1	20870	18784	1	1	6907	8211	7682	9081	10459	11561	19624	16029	11640	13214	8740	8351	24359	24436	19473	20339	20897	23084	9254	1	24249	22046	13527	14688	8218	6454	17784	16714	10287	10066	12208	11551	7264	1	1	1	6696	6361	6598	11438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H13 N2 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10993	11324	12652	13991	9089	8247	12555	13435	15527	16235	18020	21488	18338	18783	9054	9727	12532	11641	8627	7768	11765	13498	18658	18022	13090	14394	19772	19378	15784	14349	12336	13981	19217	22195	8973	10004	13940	14438	21102	19037	12158	11933	11136	10957	11408	10724	14660	14621	12704	13374	12320	12143	19978	21918	17371	15138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
592.6836@0.86989564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32492	34657	36338	36336	28285	31753	44156	47209	47774	48061	49283	45892	29029	26779	27344	28843	54238	51327	48807	46436	37718	33010	28393	28593	32527	32054	40963	44917	23297	23076	25859	30885	26998	26577	20761	22428	31302	30025	27384	30508	49717	48543	28970	31245	37051	32821	38210	34729	51553	58505	40142	42625	44881	42516	40520	37476	49538	52574	58102	57365	36411	34354	57808	58751	52759	52863	56895	53772	58685	57110	52887	54239	60094	52262	58918	55019	49014	53860	60238	59522	53474	53531	58259	60993	57582	56037	59963	59880	54202	57163	57210	59147	61955	57776	58055	54365	32413	33111	54690	56362	34646	33173	56433	56412	55151	57525	15689	15961	18318	18201	14920	18375	28428	28735	21147	20819	18843	19482	40442	36025	20116	17935	19966	19959	18905	15529	22412	22576	19760	13158	21569	22817	16830	21559	25401	22669	21033	21161	18669	20250	17677	19160	23209	24109	39250	38489	23225	25405	20593	21371	25115	22637
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11441	12907	18239	13846	14001	10032	19489	16150	17907	19982	16593	13971	10458	1	24808	25839	27035	25199	16228	8962	1	1	1	8549	10780	10509	14446	16685	10843	13464	11492	15225	12822	16303	23587	25559	16881	13019	20902	13654	25035	30838	23328	26349	29608	26153	25075	28167	24198	22611	23638	22374	24797	24889	34253	30493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.3014@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11091	15035	10947	10387	13123	14480	14731	9970	16156	9904	13498	15044	9291	8928	18887	16072	22063	17885	13666	1	1	1	6647	7866	10870	10137	14374	16136	11805	12560	14563	11981	14125	15477	17814	15966	18133	14825	17909	18428	19645	17029	21050	23989	17703	15713	17369	20564	19771	16043	20765	20615	18030	20247	24954	22845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
633.6599@0.865562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21684	20603	22701	21370	19905	24985	22880	24140	26538	27249	18110	18043	15567	15118	16890	15958	25151	23791	22599	22480	25348	26467	18145	14299	21980	17162	19734	21066	12458	7712	12622	12812	14453	12599	15244	14397	13766	16819	18185	12986	21816	23375	17689	20703	18586	21118	24115	22881	17828	19141	22049	21606	24231	20187	27318	22390	11916	13823	12836	9884	15336	14347	16320	16210	1	1	15882	12494	10599	15064	16636	15584	11009	14729	12162	13629	14431	14268	12676	12132	15202	12179	17678	15844	12537	13463	11458	12277	13904	14465	10909	8197	15040	15897	9025	10808	12411	13541	9704	1	21088	20666	13450	15140	6625	10832	1	1	1	1	1	1	1	1	11203	12285	1	1	8470	10050	1	1	1	1	1	1	9823	10902	17267	15446	1	1	11003	10173	15721	15679	1	1	12623	14368	7006	1	10984	5804	1	1	10392	11642	10338	9718	11289	11102
> limit nullnullnull 12.0599985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36052	63626	51169	49662	74707	113331	50789	31826	64293	63105	48638	62595	52426	28366	22123	17878	1	21331	13343	32149	50442	18913	28490	20995	25773	26770	32095	40751	18587	1	16351	17818	40780	15555	34613	35034	21492	44653	41272	23376	18683	44413	44489	34353	1	24493	27638	29466	41735	20774	22852	14068	26055	49407	89287	18625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.9212@0.88399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20742	18186	11947	11122	21262	24086	9614	8098	8889	9497	11816	1	33140	34664	10854	8224	8829	11065	14258	13808	9995	10971	13071	15159	18029	13219	1	11339	33039	30285	20775	17340	22591	24247	7990	1	21115	23321	20463	18858	1	8519	15001	14947	8254	11040	9229	9831	10166	11581	1	10467	10303	11011	14430	14825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.0803@11.719994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	114192	95632	86884	96364	101116	93009	100190	121694	91341	107129	97282	95443	105799	106087	55024	46835	46069	55486	67250	75503	72433	66114	110035	81048	76283	59542	67661	64458	59875	56465	55664	59472	77401	59930	44569	70887	75249	54918	69589	76914	70308	61870	78192	63331	57773	58486	69355	61071	57721	64496	82088	58441	61659	60843	150983	72831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1223.5901@0.97700024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7410	11038	9286	9245	13620	10916	8093	7258	7914	10855	10394	8457	23341	21157	1	1	9154	7115	1	6287	6121	5704	16017	18641	13930	14270	9113	7342	21817	20889	18176	19096	20185	18791	6325	1	18618	19261	16923	17147	8407	1	10602	11042	6009	5594	10525	11047	1	1	7072	1	7496	6645	6198	6937	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.8623@0.8580001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9586	8579	10950	9438	13557	14892	9973	7411	11746	9071	8029	1	11254	1	7660	1	8854	7550	12581	10701	1	1	13070	10914	12143	8908	7641	1	13796	12125	1	8022	9656	13738	1	6258	11867	9390	11673	13994	1	1	6661	7472	11443	1	6870	6679	1	7575	1	6531	1	8395	8699	10212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.9384@2.877999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27299	67298	66919	37273	46326	48427	45686	66165	34825	53069	80199	40468	81581	44569	56921	1	1	1	1	1	1	51721	96894	97217	60060	36577	65783	36131	83250	27869	66786	64801	1	1	68870	95198	57970	110586	152371	84342	1	88023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.0993@14.048003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19711	11734	17714	17122	13306	29423	11385	18245	11306	21982	19768	17934	19186	13564	1	12232	17394	1	33665	12298	13984	17328	1	18395	1	39682	12390	1	1	13661	1	1	1	1	22847	21620	1	1	9406	1	1	13262	18779	9539	1	1	26887	1	1	11867	19665	1	12160	1	17139	7527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
649.9185@11.641378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27905	1	1	1	1	1	1	1	21119	16220	10930	14742	1	1	1	1	1	1	12503	19953	22935	16745	14949	1	19015	10847	35634	12306	12490	12994	1	1	13566	1	1	1	1	1	1	1	15589	1	12193	15497	15698	16114	18879	21356	1	1	1	19506	1	26386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19972	27936	17588	1	22633	1	16190	17493	11570	1	1	1	1	1	23145	25627	1	1	15574	16607	1	14859	19832	14351	20048	25320	17047	1	10385	11675	1	1	12790	1	1	1	15265	1	1	1	1	1	1	1	1	1
C9 H4 N2 O11 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45145	47128	33545	34898	38041	36149	43218	43573	50028	47581	38636	34549	35196	40342	35248	28859	47376	47809	47455	41627	32755	30341	28581	24981	32314	37348	37686	37638	38725	37065	35825	35788	36288	36223	27150	24669	41222	37437	38802	37248	42781	45683	41081	32846	35072	38765	40682	41279	49716	45083	31845	35286	42379	43308	59488	46540	60889	64993	67878	67226	59646	64395	68138	70718	63238	60708	50917	58776	65355	58457	54806	52863	64224	64970	52467	54910	54155	63010	67281	67574	62908	61792	64755	67809	51604	54534	65143	70119	56717	60423	71785	69844	72126	70188	59420	60128	47974	44936	53051	58906	57635	62161	36250	56290	54520	58571	26677	25514	28117	32224	30586	27542	36798	36365	27567	28905	32227	32646	31726	28695	29760	32491	29206	30780	28712	30073	30514	29954	29751	26841	30460	31506	26748	27379	35350	32664	30020	28437	31461	31492	34890	30653	30221	31065	29364	28196	27661	30093	25809	27386	27275	25804
786.9336@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6263	1	24890	25998	1	1	1	1	1	1	22317	23845	1	1	1	1	1	1	1	5676	22307	21009	18571	20091	1	1	22428	19936	23232	21616	20984	21607	6418	8337	24971	24684	20677	21413	1	1	20959	19578	8687	8644	7041	7323	1	1	6698	8948	1	1	8044	7648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
98.0366@3.6346815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38178	1	1	1	1	1	1	1	1	1	1	1	1	15753	154172	235242	25024	173022	116334	1	1	1	90501	106431	64356	1	1	1	107755	1	83857	179105	117599	1	1	1	90425	1	1	164155	1	1	1	125406	1	1	99483	1	1	21605	24635	8150	1	30497	29554	1	1	1	1	16221	22498	1	9084	1	1	10431	1	33994	24324	129833	14311	13333	1	16401	80684	1	1	1	1	22028	22871	1	1	1	1	1	1	14011	23112	1	1	1	1	215216	1	1	23643	86362	29716	1	1	1	1	1	59994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.125@7.095997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39318	47780	35435	1	1	1	1	1	39202	40192	23589	1	27252	46056	1	1	1	1	73066	19377	359446	170437	111456	122766	1	62447	1	1	59325	60553	44241	41790	84242	124601	96130	72713	79943	45785	41616	44272	31434	1	50899	22178	51927	120942	1	11508	54782	46536	92655	29745	1	58377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25728	25387	18210	24228	22478	22964	20343	21621	25411	25715	16990	19130	24117	18108	10925	11359	23382	28366	27759	29580	18753	17981	15764	16674	23938	19836	15369	17677	13882	19448	12743	17051	22842	19377	6775	7142	17343	18550	22541	17324	19382	22643	15469	22505	20810	17435	16548	24339	29255	21244	16723	16577	23960	19623	26586	29873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.7593@0.86740303	32152	29213	32135	32806	32099	27101	28049	29911	29094	28477	24037	27323	33427	30298	29272	30441	32469	30146	29154	28048	31121	26119	28163	28410	23158	27425	32556	31993	32984	28541	21819	17841	21314	22747	20581	20529	17243	23117	22989	19243	19565	21348	16190	18355	20793	17773	18357	20166	20304	18468	8286	7391	20306	22144	18713	19616	16723	19071	20228	19710	19610	18878	11862	12957	18518	20815	21124	18221	22720	21575	12528	11849	17367	13958	20945	19397	16420	16957	15342	17469	15406	14807	14928	15270	22612	23680	7079	7475	10715	11907	11959	12332	13152	13012	15044	12849	16439	16728	19989	21436	15771	18577	19310	24156	20707	23658	22912	19455	20526	21503	19023	19972	22825	19737	10126	8589	10380	9816	6415	6307	11030	11681	8497	9010	10452	11349	10546	9648	12381	10591	11227	10048	11994	8406	10521	9564	11504	11312	9292	10292	9584	12688	9815	10033	7697	10053	11687	10876	9459	8613	8327	9855	7929	9410	9690	9732	6943	9005	7470	9736	9558	9266	7677	6743	6961	6830	1	1	1	6323	5936	1	6130	9472	7237	6918	8733	11668	8168	7104	7915	6149	7669	6343	8369	8127	10699	8750	6872	6519	8105	8267	9625	10896	7693	6434	10014	7336	7470	7913	8719	6676	1	6109	7439	8262	8386	7072	7385	8481
660.3547@5.3256216	1	1	7375	7810	8221	9548	8063	1	6461	1	1	1	12139	11286	1	1	1	1	8174	7928	1	1	1	1	9219	7792	9319	9457	7736	9937	11037	9330	1	7997	11188	11399	13090	9821	10616	10481	11500	10600	14063	12537	7705	1	9554	10754	7767	1	1	10137	1	7498	8390	8121	11771	12645	8742	8871	1	1	1	1	1	1	1	1	1	1	1	1	12164	9686	9027	9386	1	1	9754	8867	1	1	8530	7534	7299	6486	1	1	1	1	1	6750	1	1	9670	7821	9220	8561	12208	11613	7157	7493	10059	8284	1	1	9476	9132	21171	20789	1	6367	24344	11726	1	1	9089	7074	7232	8041	6885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6424	6343	1	1	8760	6541	1	1	1	6559	7622	8039	1	1	1	6054	1	1	1	1	6953	7933	7389	8427	7632	7627	10678	10482	1	1	1	1	10788	12509	11863	11546	10868	8852	12501	12299	11180	12285	12910	12015	12702	12818	12683	13573	11021	11365	13255	12351	11501	11269	12428	12280	13021	12621	11943	14509	11682	11207	12332	13869
C8 H10 O7 nullnullnull 1.538781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143514	145278	88343	86581	552790	546928	146116	142637	116113	118905	66651	67742	304469	317084	49903	44386	79909	76504	69000	79112	112130	117459	297939	307563	310689	322333	65290	57318	732276	742730	455836	467771	311677	295671	1	45728	490059	493299	335758	342821	116062	108833	484593	489376	99914	88521	103301	86014	72244	74861	98640	102758	89390	82557	1	125529	1	1	15611	1	25795	22107	25919	27558	11717	10018	32961	1	25646	26739	27539	42745	18347	32071	1	36868	24301	1	1	12017	18334	1	22120	37627	1	31865	1	1	17265	14870	31383	48729	21545	37527	38152	28114	44054	42559	24837	28811	57939	47874	34285	27288	1	21750	132899	130951	100197	95139	116619	104475	54658	67510	204656	207526	91261	104073	169054	161840	82963	83956	120776	124810	75939	84462	204191	200186	171566	171147	97731	106222	416415	393028	211167	206668	74848	94992	161842	165874	94326	90310	179018	181398	72534	68594	171403	171672	329748	323527	212988	191142
> limit nullnullnull 0.87400025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9681	10315	9051	8025	10331	10309	11697	11954	10159	10051	1	8196	8211	8365	1	1	12828	13052	13494	12649	7992	11460	1	8230	16846	8011	1	1	26582	24935	13968	14673	10981	11184	1	1	8143	9268	7894	8348	8291	13556	9670	11965	8870	7835	10100	10294	11185	13675	9567	9318	13403	12335	11511	12845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H10 Cl N4 S4 nullnullnull 0.8790004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24105	25961	17405	17686	35755	40511	1	12430	11685	11059	14523	17632	49404	47276	14673	11784	11034	12032	16364	11245	14765	15511	41916	38091	39322	38341	17054	17405	35844	39771	35459	38758	39188	38941	17050	16111	40349	42157	39379	38210	7129	8275	32136	32921	25193	22758	20342	21962	17329	15041	21345	27363	25596	26637	18061	27982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
582.8474@0.87400013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11501	11997	1	1	1	1	8385	1	20585	21194	10385	6694	7455	1	1	1	1	1	14034	13259	12334	11862	6538	7966	23879	26660	16843	18165	15332	17957	1	9556	16937	17338	11604	10501	9105	13409	11575	13633	7340	11097	1	1	8717	8834	8818	9338	1	9202	13814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8071	8790	9002	11234	15388	16089	10269	8536	9035	8187	1	1	19249	19662	6316	7949	12531	1	6110	1	7076	13307	9833	12420	9723	16447	1	1	27644	24455	21226	22418	21610	19415	8310	13381	26934	26994	17139	16788	14119	7903	12949	20205	9677	9803	13015	14825	11366	10519	13732	14073	15490	12758	20287	14035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
817.8323@0.8420413	25428	29601	25464	26708	24695	25549	30748	27866	22088	31048	31981	26561	24811	29136	26181	25490	25408	24123	25739	29795	28479	23230	27685	33333	33282	29276	29690	33641	25019	27909	25168	24954	25739	25233	27687	28052	25150	26258	23169	27327	23673	28042	27205	26342	24759	25283	27104	23140	26117	28910	24323	23061	27195	24547	28491	24552	29427	28478	1	1	8121	1	10987	11665	8220	8722	1	8859	6332	1	18407	17073	12712	11103	13321	11219	9096	1	1	1	11880	12432	9901	7242	1	8556	22379	21528	19439	14424	16204	15012	1	1	17908	18249	10251	13607	8755	12353	13440	10274	1	1	1	1	14646	19141	8710	1	12830	11896	13354	10234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
571.6327@0.8578215	17687	20464	23524	24206	21397	24795	24018	20022	18599	24330	21322	22231	24146	18693	19139	17680	23567	22519	21962	18223	17467	20088	23113	18541	24318	18997	19592	23544	16150	18557	28882	32670	36591	36344	36539	33852	32501	33407	30951	32634	31700	33052	32363	33971	24981	30957	27954	31379	36491	37273	18524	15633	27558	29081	37022	43029	30403	28786	9846	11309	13015	16129	10760	11178	17697	17270	19974	15225	17757	18289	10152	9999	11533	7788	20075	20725	18532	15879	12763	13960	7442	7995	8170	12401	19208	18478	10160	6647	11077	10262	10767	8140	7858	1	12426	8478	11494	11148	17225	18596	11238	10423	9161	17557	17952	15868	22775	23909	14985	14655	15896	17820	16393	17897	21127	20236	23679	22687	15104	13711	21904	19150	20935	23209	20930	21501	18783	23843	18854	18469	18001	21954	17380	20085	17901	23156	22683	24026	20290	21176	20734	19850	23596	21075	26029	22744	23786	22368	25506	23319	21704	23496	24016	26747	9990	12089	22623	21011	10491	13580	20190	20343	24911	24894	7346	7866	10456	10778	8937	8273	17589	17594	9701	8542	12186	10231	20300	18242	12486	12077	11228	10842	11819	12868	9823	8163	8224	8004	12535	12075	8735	9889	10062	1	11556	12401	7282	7920	11145	13121	8671	8317	20886	21714	9654	9592	7271	10600	8396	8795
C23 H O23 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23320	24289	23000	20186	34037	34538	23163	26528	23665	20373	17653	21641	28140	33788	22816	14235	17680	25177	23251	14346	15368	19161	28619	32508	22440	29365	15196	8811	34286	32594	29663	32582	31798	32808	17221	19188	33050	33577	34490	33186	26795	27918	27490	34826	24179	21273	26086	24972	20515	20286	24691	26721	26799	29270	31771	26851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.888509	24238	23346	24328	24389	25873	27355	20480	25635	18028	20837	24299	23873	24319	23306	26573	24803	21726	19571	23976	18990	25170	25562	21789	23175	23461	23041	27050	27376	22149	26248	22404	22273	19229	22517	21095	26022	22247	21526	20829	19588	21182	19386	26317	23775	29533	30419	27491	24588	29388	28352	27049	24409	23640	23985	26218	25904	18535	21775	21778	21456	18034	19252	17071	19879	18457	18578	17383	19794	19727	22324	26930	29490	24807	20467	19770	21258	16917	17472	16904	19689	22796	23085	21830	19198	17167	18563	24471	28252	22795	22446	21132	22798	22066	22176	23788	25091	23399	26240	22103	21481	23706	22324	22461	25840	21688	23701	21047	21296	23457	24095	22321	19375	31972	23552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
434.2683@12.139003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12706	11886	18069	14602	1	1	14707	11363	13130	11642	1	1	1	1	1	1	1	1	1	1	1	1	25698	17785	7194	6236	1	1	13246	12937	1	1	1	1	1	1	6518	1	10342	9757	1	1	1	1	1	1	1	1	10181	8183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
532.9163@0.8500002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8772	7599	7140	1	1	1	1	8120	22359	23849	1	1	1	1	1	1	1	1	11777	12818	9482	9330	1	6251	24682	23679	16404	15416	18448	18324	1	1	16035	17376	14497	13811	1	1	1	11511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
214.1572@9.439798	134138	128752	1	1	222100	166737	13304	1	1	111349	123366	1	1	143947	1	65679	39938	168361	1	88932	1	1	1	144732	88846	80618	1	120593	56100	1	1	72400	100235	66491	1	167814	45494	11928	1	1	159201	48334	63800	1	1	50175	116282	196118	1	1	1	52653	1	1	69224	1	103020	147437	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44582	1	1	76962	1	124545	35575	1	1	22470	134171	1	1	132092	1	1	143841	43006	1	1	1	1	150082	35851	68625	30574	50165	222130	1	64487	91926	81202	90172	112579	75416	93828	90426	70276	67297	69619	478044	66768	72036	104275	124158	98608	86735	103841	1	56690	184756	1	90396	203745	60843	49284	57448	153579	239748	212675	180999	32523	89577	239724	73347	56772	1	39365	57942	168480	96551	1	1	59665	1	1	1	114047	77804	1	1	74771	1	31577	118311	70721	49359	52315	46349	48556	110051	93451	194491	59670	1	1	82044	96886	120967	62256	182166	91136	176280	45723	59835	62974	96854	67816	1	1	57132	58817	65907	1	112391	1	125036	127413	112879	89309	241074	71392	86458	1	56758	1	167944	53893	96358	51791	1	315586	1	63230	36423	51134	207372	20951
291.9735@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12489	13682	1	1	1	1	1	1	19815	19368	1	1	1	1	1	1	1	1	13177	12946	9628	9708	1	1	22056	23291	16022	13949	16954	17923	1	1	20009	18702	16257	13126	1	1	11775	10969	1	1	7509	8232	1	1	1	1	1	1	8541	7251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isokobusone nullnullnull 11.365059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11037	31500	46130	30006	59348	17981	39364	37104	29440	28764	68154	41805	63609	44845	23100	54932	23625	34267	14842	13081	87676	87637	224606	201656	113714	37563	23696	18381	44793	16419	19882	49128	59301	11771	18487	37186	103118	54083	108114	58090	57810	49625	97616	132012	58123	57753	122279	81369	46062	38508	146333	70433	60775	57353	5123813	58843	54293	65524	20313	25441	31155	35533	42863	44317	49202	45658	75974	31034	67417	26536	88191	70184	38916	38272	87159	79964	77668	59842	70531	73912	52608	83095	59231	91061	70958	59984	61651	45976	71557	42090	42858	71340	66349	34897	57222	63753	91226	5406	61782	58136	104777	109386	110337	31821	67828	60360	51083	81332	105567	41150	115652	59932	29443	52829	54118	53126	336560	321912	70100	20174	33395	45851	44923	18781	16583	36634	67458	36353	42006	59568	28701	43749	52454	28481	26042	33906	53416	44058	42469	34310	48191	32589	443614	24858	50637	32067	94934	36717	112924	232821	50083	52608
PE(O-20:0/19:1(9Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19854	14178	16749	23390	26541	26738	12734	16634	13892	16627	17857	14674	15082	23663	12641	8267	12971	14840	14271	23973	25825	23243	25807	17195	24108	17014	18459	17880	16218	14467	22259	18626	16255	15449	10060	10318	16838	14006	21732	17268	11129	14000	21577	19615	17107	13243	16332	14685	16367	14782	17031	13388	15687	15139	21899	19905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
393.7719@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8370	8120	6826	14060	11673	1	1	9808	1	1	1	17166	17164	7305	1	1	1	1	1	10777	11440	15384	15017	12569	12171	7425	1	15314	12354	9658	11811	13061	15178	6544	5984	12735	12648	9541	11045	7999	1	13178	8231	5901	7863	9257	8196	1	10581	1	10787	1	1	7543	10628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
358.16@3.3390007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13763	15655	9774	10085	1	8934	1	1	18378	19420	10997	11112	1	1	18612	20047	1	1	9640	9563	1	1	1	1	1	1	22466	12429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9232	9298	11751	10572	8489	7154	1	1	30341	32251	7938	7839	11738	13205	13329	13816	11665	12111	5915	6699	29838	29264	41996	41138	11556	10428	39950	42570	47853	46094	8581	8089	31587	33572	15560	13907	21708	21650	6769	7957	27090	26587	30841	31626	30885	32074
C10 H7 N8 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14621	16862	25744	22786	27910	48235	9929	24293	17132	16010	1	1	27461	86641	25988	26296	24471	23292	27953	28887	25411	25523	57291	28670	85043	90114	1	1	103310	106235	67480	37768	75988	42582	1	13588	54325	47176	106003	110928	24227	23064	50387	48459	23873	26138	27038	24870	1	1	55923	54403	46315	43996	32479	28181	9182	1	1	1	6381	6232	1	6614	1	1	6734	6569	7983	7075	1	1	6862	7007	8538	7664	8857	9150	7014	6876	1	1	8031	7201	1	1	7458	8230	1	1	7380	6832	7815	6534	8823	8302	6706	1	1	6727	11868	10041	1	1	1	1	13911	13769	13624	13634	12333	12739	12753	10443	22963	24337	15400	17597	27290	24450	13722	12838	15141	13861	10313	11670	21627	21952	30307	27695	16702	16719	20709	21709	32239	32535	15045	13529	26965	26132	16367	17003	19216	21717	14112	14332	22326	19933	22459	24770	25814	25139
8-hydroxy-nonanoic acid nullnullnull 7.551405	197160	194478	161748	1	211637	117773	445224	128574	1	189741	374417	400274	65094	182555	173214	182026	1	1	1	173954	178485	202902	1	203153	87450	236790	222352	190797	189566	214511	482637	69007	477721	189167	192042	203418	151804	467767	183983	174308	148516	191685	216889	456972	72044	195074	171181	74119	65592	226083	240473	215611	176641	200129	216505	209197	220552	249889	239476	134693	117756	127676	125745	112717	289964	23548	115788	134002	123867	113838	119067	115042	127822	154190	51087	319534	51187	91640	343894	140276	137189	143544	142957	137056	134046	140370	132327	121435	134981	132310	137437	146705	110824	158527	180343	172476	159851	174346	162554	97870	159222	167343	182216	162636	156532	151155	159084	160075	160238	122625	101065	387721	1	162806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
573.6195@0.8586853	39055	35372	36921	37550	38041	42564	37379	36946	31450	35378	33113	32386	38503	43878	36132	30868	39275	32180	35793	35433	27456	30505	30514	34819	37405	35657	38018	35958	37556	36954	36876	31999	29928	34194	36173	32303	34708	35313	30200	38249	31410	34220	28283	34194	27378	31240	30762	29266	32728	33282	14527	17687	28565	31900	36671	38937	25888	30388	14645	11716	16718	14720	12896	11926	16604	16752	18833	17705	19174	18484	10884	8810	16831	11744	19844	20765	19852	12893	8121	9577	8369	6372	11310	11560	18458	16888	11961	10423	11449	9597	13754	14590	14520	13914	14813	13428	18212	20364	15481	16172	18596	19087	19527	16667	15311	16895	18687	20959	17174	16941	19848	19966	18261	19444	18417	16996	19370	18569	12419	8620	18091	16001	22070	21223	15498	16602	17950	16761	15513	13297	17229	15320	13644	16167	16607	18282	19718	22154	17272	17849	22465	18974	17072	17117	19825	24026	19397	15908	22928	22825	15599	20207	18139	20518	7850	8253	19708	21800	10920	9048	17797	14032	21762	17760	7236	6863	7334	8678	6331	5898	13955	16726	8193	8258	7985	7117	15153	16085	9760	10910	7507	8351	8950	9718	9462	6636	8842	8083	8282	8996	8418	8362	9049	9951	9669	7369	8332	8216	8243	8417	9589	8964	19664	16712	10125	6934	9231	8086	7049	6881
919.6635@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15240	19096	19532	22988	27250	27287	15019	19967	17822	20889	18237	15569	37337	33038	13064	8136	17565	16359	15541	22368	15288	23949	28066	30080	25407	28640	16385	17921	34284	29445	29725	22724	31165	26220	13650	10603	28244	29496	26069	24490	14325	15710	27004	23158	23293	24718	18246	19216	13347	13285	17534	17176	17555	15321	18785	20304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C27 H2 Cl3 N O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10945	12073	10989	9496	21270	21947	10844	11449	11164	8761	12808	12775	27884	33046	6367	1	8555	9096	11211	12547	12845	8130	16771	21967	18140	23972	11579	6162	30723	28312	19861	17400	22497	23610	8120	8457	24371	21175	19197	22069	11211	1	19359	15511	11408	13154	8267	11665	6760	8416	9459	10905	10401	8436	12378	13277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H8 N5 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18036	16241	12852	11785	25805	22952	14971	12407	17114	14206	10071	10485	29899	31019	1	1	1	16687	20853	22299	12999	15196	22225	16284	17780	19480	9586	11294	31625	31814	25186	25282	27800	25547	1	1	25665	22401	20997	26488	12953	14293	21621	19877	14597	13748	16410	17479	12859	15399	13067	13317	16292	1	1	22409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C3 H3 Cl N2 S2 nullnullnull 0.80443317	9333	10205	8921	10036	7698	11240	10540	1	11974	11603	9173	9655	11481	9336	7163	7625	11307	11023	12259	8343	1	11446	1	7586	10693	11248	8834	10044	1	8266	11538	10473	11206	9914	10969	11137	11398	12201	12673	10716	12413	12181	14208	11022	9375	9672	9964	10617	11314	9376	1	12143	12121	10743	14957	15339	12096	13290	271016	264137	244325	248583	188654	202810	273220	259506	272395	267596	251378	251839	179486	173940	165152	158119	230692	223039	154012	235093	221751	228189	150928	152462	187977	190486	222927	216693	97742	93973	126457	129139	127873	128793	124819	113131	144587	148434	164693	167541	144589	231777	181936	173612	223889	223833	209588	221938	229799	228684	210572	207921	141599	219756	188365	225138	25533	25904	6479	27252	26046	25146	23473	10786	23097	16530	16088	10812	22928	23558	7992	22818	23454	24100	9652	20548	24496	19351	24775	23549	10684	8041	26860	30193	20413	20276	23411	22068	21618	23127	23935	25802	27751	22375	7986	21042	20812	9100	8634	19718	26785	22152	16004	20649	23055	22224	14558	7727	7024	8614	9471	18691	15809	8496	9045	8329	8508	8901	12446	15398	15960	8622	7208	8837	14496	7074	14921	18531	10315	11564	8350	16354	8593	15887	11583	9291	13769	1	16913	10320	7837	9017	13997	17154	1	13638	16838	17902	17481	19751	8362	10173
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647.6999@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31890	31114	34466	36965	35711	33940	36496	40873	42185	40754	35169	34257	36411	38948	22867	23295	33505	34122	34465	53385	44199	40320	32495	34911	23953	36218	32855	34144	36127	34348	32639	30002	30800	33761	19110	21346	35198	33090	31502	28147	35262	31959	32220	34084	29889	30807	28661	33254	33086	32922	25090	29388	32622	32036	31968	40574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
680.8911@0.85200024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21243	23318	14690	15132	25913	16680	22245	21558	20197	23431	32741	35990	30619	35068	20252	19311	24868	24397	17396	17197	12327	11553	25230	28001	22730	22296	39254	26754	36946	32732	33220	36626	36510	32624	11525	15803	30451	41997	36633	34477	18503	25177	25338	32803	16309	21637	19176	19820	25850	32629	26349	18427	20303	25545	29459	21958	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H4 Cl3 N3 O7 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52740	51148	46069	38804	64608	53011	41952	39067	48855	46730	34884	28876	52765	53548	23659	22364	37676	32815	41102	36230	32258	38462	34319	35298	45739	53356	27930	23430	38267	34400	40291	39372	35153	42753	24633	21777	47034	41366	52808	52565	43734	45627	48613	55197	51613	42511	37822	43326	34483	29220	41330	40366	45595	44425	48600	53827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
897.6056@0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21615	22382	15671	11752	10078	10955	21243	20830	19210	19717	17672	19268	16020	13850	11839	11513	22648	20864	24776	20313	15871	13289	12130	10431	13855	15007	15811	15100	12616	7016	8392	10764	8814	11598	1	1	13296	10887	11246	11998	20681	21846	17279	16202	15325	18944	18236	16899	30078	24496	14187	10430	21287	17696	23650	22040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1034.9257@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7205	1	16109	16192	1	1	1	1	1	1	18516	18867	1	1	1	1	1	1	6971	1	13663	14861	10348	13420	1	1	24739	21813	17487	17873	16313	14210	1	1	20434	18368	17479	17691	1	1	12504	11162	1	1	6995	1	1	1	1	1	1	1	1	7358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.88056076	18949	16098	15235	15773	17451	14298	8950	11514	14626	17241	15561	15474	16716	18306	9352	9985	19087	18747	15984	13180	13124	17020	9387	1	12613	13505	9631	14404	12523	9806	16673	15460	24415	23120	18459	20495	18660	21338	13162	12090	19598	21374	13178	13265	8357	7164	12753	15861	14470	14873	1	1	12971	13067	22752	24059	25254	25372	20282	26426	14574	14505	19518	14112	25993	24347	27212	22212	17365	16086	25694	23905	9926	11104	19708	25546	27643	24977	19282	14430	17229	14440	17510	16377	16355	11214	18199	11685	11105	15223	19188	13775	8475	7418	18484	16174	15819	13723	22852	22701	13771	16898	20212	21267	20548	21736	23431	25501	13565	13785	18889	22480	23533	22022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1061.6075@0.85900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14906	11958	12657	18279	25273	25818	15022	11937	16725	15494	13086	10202	36393	32077	8494	1	10622	13554	11911	20647	12928	17959	19677	21427	25400	20588	14284	12858	31152	36932	31994	32077	29900	30072	12096	1	28986	32653	25631	26765	14847	11225	19803	20628	11800	14841	17825	13470	14414	10369	8388	14877	10941	12673	16318	17327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
564.7998@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29627	29483	22530	25584	21869	25652	34657	34737	33223	32749	26869	26242	29936	26665	21589	17456	26739	28694	30705	35714	23221	26320	21693	18844	23837	20043	25157	24842	26786	21141	24153	19463	28454	25565	14185	14013	23000	21915	23030	25672	29226	28317	21820	25722	23007	25452	24379	25338	31971	26485	23863	23008	27330	26011	31806	31053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
782.0736@12.240998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36327	37217	43632	39480	30786	42867	38752	1	1	34724	27435	1	28810	1	1	1	1	1	1	24397	1	32797	47478	1	21605	19781	23452	1	1	12248	1	1	1	1	1	21856	1	26844	1	18173	16649	22777	31887	15425	1	22476	31837	1	1	17132	16708	1	1	41907	13001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
161.9474@0.81939965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9080	8612	30435	40663	11576	1	25645	10816	1	8166	31748	37079	1	1	1	1	10359	14177	38633	28958	27667	28110	21348	18992	13604	1	18567	29865	33938	13158	45628	31175	5904	6690	6193	7562	7387	6241	6152	9045	7000	7493	1	7195	7669	6024	7534	9425	11429	8285	1	7480	1	18095	19316	22941	22176	20225	21778	23933	18692	20389	17998	15759	6760	17349	14691	16449	16113	15099	18640	15921	14730	14468	14185	15070	12837	16676	14950	15550	15880	10566	13969	13516	11945	12501	13354	14835	14802	11327	7674	12013	12503	13813	11899	11411	13383	12634	12182	11201	1	11409	9063	10769	1	1	1	1	6526	6411	1	7607	1	8010	6179	7388	6355	6358	1	1	1	1	1	1	1	1	1	1	1	1	12755	1	1	1	1	1	1	1	1	1	1	1	1	1	6555	1	1	6085	1	6466
14S-hydroxy-hexadecanoic acid	130074	95203	74279	161192	31703	70148	113360	30590	60828	186630	50562	67743	107375	64334	87830	164108	139958	88057	212683	109805	169446	111696	159381	170704	176815	74662	157360	178799	74628	79215	76332	135029	52463	177523	190071	191806	50200	65634	41122	74684	70911	69178	166240	74145	180923	168883	1	40293	192071	71960	75142	194506	59986	95577	79084	179424	64597	79456	37625	44868	42324	35284	72954	121851	94098	91164	36855	102463	89169	28817	92478	37035	75208	92961	31835	48273	25396	102841	131625	102095	124433	114333	120234	99644	119725	36616	107095	71093	71048	79580	45077	47340	89641	57394	153164	57724	123368	49751	136870	55172	113970	56888	135684	103820	98272	100854	86140	48665	140886	34418	55340	112873	1868564	64997	34129	141424	52646	77797	98032	109172	107757	99498	47303	160604	161689	146171	151109	31007	56796	120794	152183	104862	124098	108752	78977	54200	85100	70878	57070	35714	59222	55975	119048	157647	62730	156680	149214	163890	57203	126179	149685	125953	62419	143375	102589	127870	144339	45667	148472	100874	86635	165410	32775	157767	184086	31621	165575	158539	72130	187096	165616	177767	174931	185068	98889	73540	198956	176606	49136	160575	60468	74722	65466	170069	126577	151452	67314	37287	190307	52927	170361	73822	169439	69825	182815	68437	123491	82849	45054	78520	101048	175789	51186	50860	69480	162257	55277	87256	65994	72988
623.1089@11.316277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84106	77711	64434	83546	86397	183326	78034	69185	70612	68694	64708	77809	75974	156325	22895	49324	9246	61837	53192	18602	71550	66697	42214	1	1	61934	52921	1	1	1	89335	33891	1	59722	1	88101	53294	1	79163	1	41113	16250	55796	25889	1	1	42353	55835	46013	51227	51906	59146	15678	27724	1	83445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
282.0373@0.91500026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6888	1	12672	10836	1	1	1	1	7234	1	10604	10045	1	1	1	1	1	1	1	1	1	1	8893	9080	1	1	10754	7570	14180	9166	8304	10860	1	1	9228	10527	12044	11557	1	1	13413	15758	1	1	7645	1	1	1	1	1	1	1	13785	7948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.247992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59819	43814	73990	65140	54834	80069	64206	62779	74032	56847	64895	78364	89849	61217	40317	28901	40601	34082	41282	23720	26801	47391	46645	45133	39859	26408	36046	41653	39830	31350	28803	48143	31044	37588	35938	38555	48999	34152	33726	37704	55197	40971	51337	46389	37668	41091	46981	49337	44402	49099	29891	45474	38127	40492	80216	55268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7659	10128	10605	12019	13653	13659	9833	10236	9776	10951	10137	11529	9186	9416	16395	14819	11769	14792	11840	1	1	1	6905	7982	9256	9311	11796	13109	8436	10263	12682	11991	14786	15411	19747	17472	19992	14683	19347	21514	15733	13877	23961	22111	18179	20142	16906	18939	14454	12071	16651	16264	14430	15795	22733	20624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1203.7062@0.8429999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13844	15309	15004	13956	12064	13788	14838	14521	14597	13305	17995	14472	14521	10657	21007	20507	22446	21201	16825	1	1	1	1	1	8607	10711	15113	16224	10847	13920	16018	15749	14210	14199	20001	23380	20635	19470	20977	26180	23130	20472	26255	24948	24000	21736	21635	25542	18076	19452	26783	20844	17213	22361	29378	24003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
253.0812@2.4359992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42829	1	1	1	1	1	58308	1	1	152384	1	682887	687929	1	1	98479	101454	20581	21644	111209	123224	613027	630300	253972	221400	142072	139793	239939	241599	136123	135888	330256	332141	1	1	387051	370799	256063	254611	49966	52572	124757	123314	126158	130751	123070	123155	83919	88258	69541	66314	44652	48129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1053.717@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21051	24279	21186	22677	33849	28563	19601	24303	17666	17948	19986	16563	26443	24491	19365	22012	24595	21336	20857	15553	12814	9980	18608	16855	22217	28399	12437	14659	29742	24327	31752	31920	36900	29197	48572	43052	45855	45111	39906	38142	19273	24667	42114	42318	34189	31627	35033	36886	18042	21765	24926	23568	22636	25444	45248	31846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
606.2105@0.98000115	11867	11679	13145	14601	6174	7395	15133	14302	12138	13533	7982	8413	9692	10363	8488	8804	13312	13625	9625	9036	1	1	14940	14890	8747	9672	9860	10128	13129	14633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14237	13859	1	1	1	1	11281	11050	12496	12311	15266	14393	8513	9089	11003	9482	8636	8691	16233	17402	1	1	8919	8124	9868	10022	13750	13859	14692	14791	15830	15079	10144	10070	16664	15177	14473	17499	14949	15599	1	7280	16425	17936	20724	18796	10576	9427	19936	16951	13328	14016	13548	13935	6491	6250	14178	12898	13799	12313	21057	16074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H9 Cl3 N2 O12 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12105	13096	13641	13326	14122	14894	16681	16214	16032	13545	13337	10488	13075	9326	8199	13556	13260	15303	16264	12444	7883	10261	11039	12396	1	12686	11926	8963	12779	12660	12028	13080	14284	13958	11169	13630	12301	14467	12462	14078	11934	11505	13102	1	11527	9901	12903	15095	12441	1	12811	12240	11153	14094	12205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
482.8011@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15732	19075	12751	13997	18026	19689	19565	20722	16603	22193	15560	15947	22057	27156	9113	9669	14667	22347	23291	21458	23319	16207	14033	22761	17826	17026	14194	11888	19792	20640	11557	17931	14628	14147	6507	5906	15073	13408	14521	14553	14516	16869	11650	10302	11795	13944	16234	16293	19412	20305	11303	11612	17512	15043	19405	18300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0478@3.161649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13008	29520	21567	39091	1	1	32958	14038	19043	13400	15937	20417	1	1	22269	16806	1	1	14929	18782	24055	31021	12859	30939	11840	19302	14103	42586	22740	21446	30383	22856	45952	1	20650	43010	26720	24431	38360	48598	1	31018	27023	25875	29984	35899	24407	24665	17550	16029	21979	19531	19645	39539	24380	27626	1	26202	29800	12617	15262	24391	1	28850	24923	42177	27974	17373	40177	24234	1	1	1	1	1	1	1	1	1	40622	16460	33195	43551	13484	23850	17130	1	1	1	1	17550	41165	51612	49317	1	1	1	1	48054	1	24278	23029	64140	1	1	16965	17429	1	1	59224	1	43272	1	1	23932	14924
878.3348@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8603	1	11715	8565	6058	8618	7477	10169	9179	9088	9835	9531	1	1	15492	16565	15179	16664	8739	1	1	1	1	1	1	1	14092	10385	1	1	6618	7570	10518	8663	12742	14475	14119	12413	11586	13304	17755	17196	16452	14955	15345	19005	17154	16568	20805	17672	16205	16462	16850	16329	21882	19206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(16:0/19:0/20:0)[iso6]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16844	12499	19853	17000	26332	27715	13896	11657	10505	13999	18255	13801	23509	30269	23290	22786	24971	22738	16752	10007	9605	11962	19770	20549	18922	24971	15069	15990	33522	32093	38011	36221	33771	34086	17473	19126	37745	35204	40206	39556	31518	30201	34701	31344	22291	21698	23736	23359	30703	27278	24730	23666	26244	25970	36394	25257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
N5-Methyl-L-glutamine	19435	18145	20072	24303	12337	11516	19464	24937	17133	21557	11231	12002	13277	14876	12475	16306	16503	17015	15667	17441	9844	11790	26924	24355	13311	13268	17102	17503	37370	32001	29822	28343	28872	26359	15566	16002	14257	16429	55516	49853	14605	14298	22290	20733	28114	29027	45508	52920	27980	10616	26632	31476	40815	43652	8486	9081	18130	17751	1	1	1	1	1	1	1	1	1	1	1	1	24391	24845	1	1	1	1	1	1	1	1	18431	17491	10457	9348	1	1	19314	17877	13836	13655	22377	20755	1	1	20007	23096	17494	17049	1	1	9930	7600	1	1	8756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C38 H64 N10 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64591	66361	58870	63008	65403	64651	68711	67359	69552	68013	67442	65888	66657	64085	17314	16828	18490	17413	26687	25959	19142	20628	15599	22333	31190	32647	26780	27738	27984	31373	33456	37717	41227	41602	89478	107809	90644	95917	100474	107577	100007	101662	98619	99364	107580	111370	102034	107245	117482	111202	109602	116222	121284	119147	21169	195908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
874.6388@0.86500037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12596	12929	8552	11585	21758	16398	13373	13928	14306	12978	10442	8065	33736	32066	8148	5833	9057	14372	15235	19409	17679	15863	29231	24067	28090	21644	13889	8066	28203	24592	19206	22368	18664	19371	1	7428	19134	21288	22912	20094	1	16536	19166	16453	7722	14887	11323	10297	11867	1	7448	6416	10975	10234	15707	17451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H3 N O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51997	60532	58707	58833	11716	76181	65060	60714	65379	59633	50659	46460	75547	76584	45082	40165	44927	46711	55525	72466	75309	68673	68099	61273	66830	57870	45172	46253	57930	51133	55083	59063	47611	54808	44281	41956	58165	54560	62354	59788	42480	47337	60851	59698	47090	49483	47610	52542	42960	36835	48807	47918	46956	45574	64779	59104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85300034 :10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16660	13017	16607	14221	26926	27508	12092	19557	12372	18042	11607	1	30036	34646	8423	6391	15719	11923	19834	13797	12535	15040	20163	19335	20571	29962	9120	11278	23344	26426	18416	24224	24237	29037	11851	1	24447	21651	23302	18578	12257	1	19760	21378	14605	17374	17075	14114	1	8286	17376	17365	12398	1	9540	13906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1102.7721@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11023	14286	14010	12545	9866	1	13250	10133	12318	13291	13817	12563	9209	1	20277	22163	19878	17174	14895	1	1	1	1	1	1	1	10542	11298	10096	1	1	1	9098	9764	1	11601	7086	9366	11934	11217	24966	25198	12071	12009	21064	18910	18731	17703	24350	20826	20532	17124	19392	19252	25418	22362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
85.0164@7.473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14709	9194	10970	1	1	1	9668	1	1	1	1	1	1	16315	15849	13091	19595	1	1	1	8050	8411	8889	1	1	1	1	11979	14822	11859	1	1	8013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Butynoate nullnullnull 1.1607666	281627	209358	227395	239738	177383	169885	210909	226161	228011	229241	160416	165219	186147	192100	207247	200406	189987	193580	200060	193706	137827	143798	260986	282364	194896	204631	203286	196805	228578	224346	26443	86709	132328	110288	101999	101449	15113	82079	156912	165805	89688	95416	100248	105198	107358	104552	128701	127600	56829	60067	38020	43380	78477	70068	53244	50390	151202	44617	56800	50896	40931	45238	123849	129668	38240	36741	28677	23065	37785	38447	113837	41100	39160	22584	68084	63184	85949	103949	147746	155952	193115	172981	176735	184695	87063	79542	178419	83116	193783	209376	120812	119155	40296	43094	74362	1	226377	215632	42315	46211	1	1	65918	69390	67589	68368	56795	55945	62220	79337	50865	48202	88220	73731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8631052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22029	20343	18631	22172	23743	22044	24565	20076	21744	17480	15608	16167	28686	27833	11624	11648	19258	18004	27116	23251	19555	19121	19297	19817	16181	17611	20773	16349	23304	25494	25933	19979	22491	18562	12924	13474	25965	22989	21367	22259	15438	17213	18597	19152	17632	17662	13044	17040	21442	17474	13110	13903	20435	19386	22645	20866	12166	16045	20070	22562	20591	20203	21801	21567	18320	18710	21293	22151	18261	18856	18751	18148	23338	16619	20433	19935	16180	15795	21588	21384	18738	21445	26273	21884	14398	17066	22884	23780	14907	19324	21717	22411	20350	20479	19212	16074	13804	12186	17049	17664	18805	20793	14854	21817	18906	14777	8443	11846	10883	11735	11666	10133	14108	15806	13703	11429	12252	10804	11609	15060	12179	10679	11847	9998	9812	9535	13288	11994	14666	13121	12014	11154	9279	10867	19466	16536	9735	12103	12266	12566	9096	15134	12885	10717	11257	11778	9155	13057	10964	8884	11063	12105
217.0389@1.252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8509	8524	1	1	1	10713	6399	1	1	1	1	1	1	9286	7010	1	6726	1	1	1	9484	11467	9159	8554	1	9024	1	1	9373	9834	11044	10509	7757	9135	1	1	9493	10545	8955	9210	7242	7737	13643	9909	10455	10046	9300	11548	1	1	6652	8401	8851	10834	12230	10553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.8656@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	158537	159891	142156	147179	106979	96976	174341	164037	162976	168012	152476	156267	68907	72092	113018	110159	158909	153097	159410	139688	112684	118787	66393	72449	95441	100126	141408	141772	45082	45946	67508	65669	67842	66313	90132	84693	75358	75568	92884	90550	157649	159556	110352	102269	146139	113494	143043	145940	162474	107948	143801	140905	148460	154796	130343	122773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
537.7437@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34170	37845	38104	39824	39153	38160	38069	37463	38323	39390	29356	30085	36818	34001	20267	16650	29237	30870	32402	44110	45597	45703	34180	35135	41243	42191	31678	28572	32500	28608	28821	36295	30657	30530	23076	21213	27236	30751	30802	29456	32401	32342	31717	35845	33819	34566	37142	30790	22412	26610	32201	30103	32891	29783	36275	40750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.9798@1.0155895	142826	114821	63596	65214	105147	101017	53776	42248	99839	87576	130023	130200	253304	104583	140597	92012	542046	132752	175496	110456	165609	250994	35893	42607	129833	82179	75867	55057	34763	33718	251931	185189	294682	306145	335305	285421	271581	304747	249258	208045	227510	238475	250278	268048	103827	140140	263132	238811	337494	286303	174686	222178	306262	248853	405754	375683	346080	294645	222734	28327	30529	140256	109839	2837127	155534	116984	123084	9587	17445	88285	2965453	34719	167352	147641	254567	232238	295754	379526	1815507	19646	28514	36373	155657	146013	188863	152256	82601	3510612	2523042	2942215	96756	85340	256354	202922	84032	57293	26313	28805	211088	148764	28105	124712	31391	6948	8669	199355	297079	293265	27404	15653	232395	13141	144608	196030	361309	355807	415718	396866	391377	359259	400993	394632	453289	414251	391619	451066	253213	342064	302277	283891	370305	381264	315451	316816	283977	261645	401020	409945	330780	322928	462692	429599	285481	313162	482774	487016	339084	381912	471579	437230	447181	444133	391482	317152	224163	222371	362335	364102	331040	322425	266293	310241	282213	335016	123525	129255	111991	156550	124451	107571	159097	173672	102533	78866	313165	246525	119105	112927	132157	164727	164093	132797	176515	175681	131762	104353	134644	120412	149832	189021	151697	99050	134073	129708	180311	131112	145140	86994	141102	172001	386666	148031	203241	161607	154511	133995	203482	253440	126664	90699
729.6472@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17451	17011	9896	18855	26964	24474	16669	11405	16564	17770	14475	15849	25362	28389	8703	6917	12786	13802	16978	22650	20963	18009	26335	20825	24888	23803	14265	10872	24000	21601	18051	22766	21308	25415	12684	12861	20782	24405	22607	19876	11263	13458	20972	20034	12466	14048	15795	14452	13833	14820	10798	14944	12404	15397	13331	17785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Iridotrial	12406	11305	8478	7824	8097	8281	1	9316	1	1	1	10176	10839	1	12490	12454	11741	8491	10859	8071	12357	11734	10944	20143	11802	1	11593	12300	9906	1	1	10859	1	1	8866	9278	7449	10672	1	9301	1	1	1	13335	10716	13380	1	1	1	1	1	1	7365	8753	9142	1	13772	9410	1	1	11875	10134	1	1	11698	12029	10667	9377	9348	9371	11784	1	1	1	9759	10160	17879	11727	1	8432	8977	12873	8384	7945	9897	9353	10559	20875	12517	12301	11527	7822	1	1	10100	12756	11386	12861	11029	11308	8303	1	12714	14279	13112	8566	8839	1	12616	10895	9537	8889	22746	8411	11926	6731	9587	9252	1	7633	9749	9263	8529	8434	1	1	9790	9435	8407	8571	1	9167	12461	8198	8295	10726	11101	10643	9598	7142	11337	14779	7616	9880	13059	7516	9141	10072	11474	14071	13333	16604	10173	11775	8585	1	6962	10937	7930	9795	10152	10700	11478	8862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
626.6218@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16970	20207	21659	19511	19974	21702	18339	15019	20388	19818	15762	14933	10759	13727	15062	13616	20300	19695	21625	20767	17405	17287	16965	14855	22928	19898	16477	15566	12264	12235	16227	17833	18239	20923	15522	15265	19597	17366	20544	22347	20322	17387	23224	17491	22400	21270	19147	22275	16188	15745	20150	18620	21402	20782	26850	22311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
274.0329@1.3570002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18072	18926	1	1	1	1	1	1	1	1	16463	1	1	18078	1	1	20167	21510	31247	31675	14642	15499	1	1	17309	16371	25075	26699	1	1	23548	25457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
209.0695@6.349544	8961	10855	10275	9805	1	1	8207	1	8745	1	1	1	8939	8459	1	6158	11766	11380	1	1	1	1	10635	10855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12341	9396	1	1	9129	7850	8830	7128	1	1	11280	8255	8986	9539	11804	12566	10464	6882	9624	12859	15415	11178	1	1	1	1	1	1	1	1	1	1	10038	9499	14608	13137	13751	11324	1	1	8449	9489	1	1	1	1	1	1	1	1	24262	24286	23936	23238	33488	29476	33582	36851	11552	8414	31442	29350	31051	30689	30608	31816	21821	21671	30791	29174	29368	32866	26411	26183	45522	43563	42811	38904	50286	51447	29245	27997	31813	33837	26821	28543	29994	29622	27232	29907	32759	33916	20941	19718	46768	49966	22778	24860	16571	18168	1	1	1	1	12052	11000	9112	1	15278	16997	1	1	1	1	1	1	1	1	1	1	8958	10577	26867	27583	1	1	1	1	10502	11422	1	1	10924	10655	1	1	9148	10038	8751	6937	1	1	1	1	12515	12099
<none> nullnullnull 0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14153	14026	12112	9069	20466	13144	12280	11179	10289	13052	10149	9874	15969	13890	6648	7987	11453	12430	9499	11914	14895	15635	17634	14130	15494	13444	10829	9874	8721	8365	13126	10472	10539	13975	11727	9633	11957	13843	11570	14413	8166	13840	13308	13309	16186	14213	11170	14368	8872	1	14327	12882	14282	11991	17534	16799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
312.9834@0.847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6856	12114	1	1	1	1	1	1	21855	26962	1	1	1	1	1	1	1	1	12290	17946	1	7383	1	1	29050	29614	21919	17647	17453	22396	1	1	23201	20261	16720	19232	1	1	12409	13740	1	1	1	1	1	1	1	1	1	1	8073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
87.9939@5.2727146	10484	12118	35150	40993	33182	28572	33940	29566	34857	29665	29669	29203	15323	14729	28133	26591	12105	16340	33448	31718	1	1	1	1	1	11911	1	1	1	1	14431	15522	15818	13410	11716	17376	1	1	1	9933	1	1	1	10395	1	1	7745	1	13498	17427	1	1	50342	56999	50385	48652	34296	31538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9212	10889	11569	1	1	1	1	1	1	1	1	14488	14778	8851	8924	23371	19470	1	1	8245	10497	24727	21723	12871	18882	8365	8491	21717	23720	1	1	13615	15455	1	1	1	1	1	1	1	1	11090	11620	1	1	1	1	1	1	1	1	1	1	1	1	10212	9839	1	1	1	1	1	1	1	1	10355	11051	9145	12854	27647	26235	25425	22360	14202	11958	28179	29340	20018	22063	28139	27189	12733	15497	35058	30117	34394	29580	11793	10003	1	1	14515	12821	11458	11469	1	1	1	1	1	1	1	1	1	1	6918	1	1	9209	10324	11279	21212	25769	29170	25906	15594	18177	11429	11508	26679	29360	29261	25222	8991	12050	39365	40228	28279	28116	26767	29705	37673	36427	1	10134	1	8005
597.7192@0.86105716	38562	42374	43671	44123	34955	30960	40827	35744	44267	46280	31880	33459	42599	36321	29119	35387	43019	38469	39026	36090	35607	30839	31905	39644	28049	39338	38798	30240	42717	31730	37485	37454	37814	49577	41365	36630	41709	41044	33692	35052	40568	36957	31951	39674	30832	31550	36224	34760	39609	32831	16555	17098	25286	30701	38318	44672	43715	40639	23682	30182	19853	22406	17900	21276	27504	30144	27148	25438	21561	25432	24199	19430	14462	15845	33548	32617	31766	33548	28223	26483	18806	23031	28935	21851	25584	21300	19457	22188	14389	24110	22747	16767	8259	13691	18382	16242	20516	17656	22189	23774	18497	19622	18110	22051	25396	22013	31675	29014	18887	23356	27454	24789	22365	22050	20439	18328	18751	20507	15142	11708	20682	16938	18917	20127	19831	22138	20335	21469	20787	21539	20610	18780	19871	19225	18891	19947	22761	21496	17329	19605	21668	23912	18380	19907	22473	24290	21284	18674	23279	24301	23782	19075	23113	20398	12920	8927	22427	20189	14840	13575	17073	19732	21676	24629	9367	7803	10558	8401	8228	9098	15199	16210	8231	8637	9326	9897	14763	15905	9411	10892	9783	7179	8454	10262	9756	7775	8173	8189	8585	8355	6083	9907	11345	8970	10730	9696	8493	8144	7889	8316	10224	10655	18924	16909	11014	9590	7392	8504	8099	6021
852.8121@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12167	12095	14054	12842	12780	11388	13160	12902	16877	14018	14406	15005	15039	15782	16414	16352	18451	19017	13856	7023	1	6400	10163	10171	10777	12550	12307	14196	13929	18379	17231	18081	18903	13301	12289	13750	21678	20297	19935	16968	21711	24230	20765	21525	25060	24535	20559	18404	18076	18476	20819	19279	22277	22172	23651	20671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tenovin-6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23413	24518	18719	18350	19429	17134	22416	23250	1	16071	17041	22422	22110	19594	17073	17249	15043	16165	20039	17728	22423	24575	18522	22284	24499	24865	27006	21145	26196	17915	21258	24996	24496	24366	25542	22645	22626	21003	20827	22196	25321	22655	17666	16028	18988	21576	19647	22864	24496	16068	19194	21684	14840	18728	16951	16583	20698	13684	26483	24984	21581	19010	22532	19006	18299	22946	14998	20924	17677	17767	19388	19722	16228	19268	13363	23531	19269	21068	19895	17627	20710	19920	17686	21132	14734	18512	19026	14458	17696	15020	23291	23039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.7561@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25797	20089	26477	21104	26046	18027	23253	24004	21359	19152	20199	21100	25658	23653	10102	12811	17658	20739	19720	31928	27794	23965	21883	25590	24340	20726	18270	19146	23023	24990	17967	16552	23570	19610	8671	9162	21848	18509	22481	18428	18344	16986	18577	19051	20714	12743	20264	20442	22889	17665	13711	19983	23142	17417	23741	22685	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.92900056 :11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19132	20659	33364	33878	16016	15023	30950	33260	27428	27808	45507	39325	8659	1	83893	80886	52937	50928	39412	37534	53202	55464	56965	60340	34193	31262	68088	66620	13010	12837	22294	22629	20731	18972	53562	107047	32263	30742	29424	32000	63249	60410	40884	41689	59653	57104	44233	50811	54870	60421	71143	68498	52868	44353	35044	36037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(24:1(15Z)/24:1(15Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33077	43155	28669	29402	37193	41179	26267	28021	35748	33760	17731	21833	42621	31262	14976	15435	20244	22086	28172	20358	24033	26636	27962	33973	35666	38698	19590	16208	33582	31300	30589	35818	38047	40063	24466	22520	46379	47859	40826	43600	28734	24377	43608	32593	30722	33286	30814	30850	18302	19139	29839	29721	37715	29875	31889	30584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Molybdoenzyme molybdenum cofactor	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14831	19120	17302	18794	14408	15505	20259	18727	17763	22874	18796	15565	12732	11959	27463	23959	27216	25524	24504	11788	1	1	1	1	1	14677	17142	18515	14294	1	14683	13162	17363	16739	13675	16638	16152	18900	18302	20885	30229	30599	24582	17684	26027	26606	26561	24027	27254	27394	26064	24877	29078	27593	32751	26596	19418	20889	21527	18553	22844	20800	23699	26476	21434	20641	20862	17062	21521	19747	18838	19967	18929	20826	18449	18546	20983	20076	24455	19395	21535	19558	26975	22827	16625	18378	24432	24005	20529	22333	21693	19601	21009	22752	18850	20108	15921	16872	17911	19405	20129	23026	20829	20434	18687	19208	11943	14862	15293	13421	13939	11008	17076	14405	16562	16626	14105	16436	18589	17959	17347	17746	13573	12936	13831	14630	14481	17371	16083	17133	13417	13228	13552	15050	16847	16617	13395	13842	13183	13962	13303	15492	14811	15227	13978	14709	14975	16580	14639	15045	15823	15096
811.6286@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27839	31232	21321	22641	27415	24222	36387	31876	32213	34914	26867	25837	33565	23351	12224	13211	26916	34994	34796	29439	24928	24425	24726	16797	21252	26407	19879	21185	26163	23684	21126	23726	23212	27621	11705	9627	20434	22213	25878	24549	27558	22000	20446	21756	20438	25751	32499	23746	30146	34860	12158	17494	26417	25455	29157	30856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
131.0575@0.903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9749	1	9594	9276	14803	13151	1	1	10524	9854	18188	16503	27712	28597	1	1	1	1	1	1	1	9070	20522	17938	15079	18066	26555	26184	25839	26790	24537	24350	29081	29735	1	1	26526	28484	27936	28400	1	1	21305	23195	1	1	14076	15275	16896	17125	10453	10378	9240	10302	12956	12043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.7211@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34364	36309	26824	23271	37746	40931	36973	29932	32223	31488	25026	25918	46537	40335	17645	18648	36452	37902	39641	47796	26692	27369	30270	22855	35062	26938	24460	23413	50588	56857	42252	36276	34975	56101	17979	16387	51872	38368	39130	41774	21706	28711	25254	35062	26240	27498	25175	18294	34039	28165	18037	18933	28341	32730	23158	25199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
171.0896@4.3757706	14181	10265	15007	15049	1	1	12097	10259	19721	16948	1	1	10187	8640	1	1	13512	10299	1	7776	1	1	11493	11908	1	1	1	1	1	1	14263	13602	14316	13154	11521	12242	8275	1	15270	14793	12457	11832	7243	1	34666	33893	12934	15467	10158	10958	1	8275	22347	20870	11294	13069	50512	51991	1	1	1	1	1	1	16190	18378	1	1	1	1	1	1	1	1	9454	9567	12121	13440	24818	22461	1	1	10198	9328	1	1	1	1	1	1	1	1	1	1	1	1	9053	9979	10057	10833	9110	9433	9031	1	10280	9515	1	1	12799	1	1	1	10309	9794	127783	122486	18833	20430	88281	87402	29066	32579	53453	52396	84036	77664	27040	28607	22129	22126	36011	35463	88620	93440	77343	79183	58239	58808	73232	71543	18791	17850	56847	56933	75637	71578	42672	40834	36855	36968	18168	18471	52599	53290	34645	35480	21982	22481	67230	67656	40104	45264	76093	74598	1	1	1	1	40131	40972	39527	36466	13590	13288	1	1	9809	11260	1	1	1	1	1	1	1	1	54825	52981	1	1	1	1	10923	1	1	1	16273	14704	1	1	1	1	17237	20355	1	1	1	1	9273	8781
4-Bromophenylacetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15989	1	15951	17751	26665	24443	39552	30587	26709	1	17403	16190	24737	24429	1	13107	14927	12952	39734	38209	42649	43220	22299	31001	44775	59216	39198	36407	19979	11169	21984	25062	26576	39132	1	11002	16975	24411	65883	58831	52709	53410	69718	75503	31983	25875	30300	18088	11760	8489	19703	8858	14485	7901	15321	18332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.8925@0.838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18181	18608	7307	7246	1	1	6626	7914	11313	7436	14749	17510	1	1	24563	23744	18988	24550	14704	6937	1	1	8534	9229	8846	9017	14831	16033	13797	14086	12672	11861	1	1	8419	8104	1	1	10516	9993	11764	17187	8291	8303	15764	18123	17497	17463	24725	23901	20469	19724	23176	23651	26161	22920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H23 N10 O15 S nullnullnull 11.643003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	108974	51768	134368	154331	185214	100648	66053	101454	146972	92501	108621	115775	106107	101133	67953	51121	39594	59224	20780	37697	26742	41035	1	1	50918	34600	31105	28840	18035	78202	39655	37449	34696	39589	37963	21042	42467	39046	26077	26600	57157	47720	58095	27565	17623	28326	34645	29962	29362	48800	31532	30387	33019	50497	1	52422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H2 O27 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	115522	110705	124726	120844	79768	76490	123850	118154	122819	130152	102546	106018	36334	36573	251361	250051	220046	215970	144015	50524	39855	45629	31782	35732	54179	69392	100511	1	27941	27943	53528	56525	59174	58340	164893	176268	76461	74360	107355	109797	235657	242263	141337	145177	218882	227532	216318	211988	195991	195502	215906	208781	215302	217618	305123	236225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H4 Cl3 N6 O3 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16753	17682	9060	13300	1	10298	14864	15526	13271	11750	12671	14355	1	9611	9105	7759	11517	11636	13092	13960	1	1	1	1	1	1	14348	10837	1	1	1	1	1	7929	1	1	1	6960	8738	1	14919	14436	7192	1	12499	13955	12690	13944	15207	16265	11345	7552	7713	12149	12444	12795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
993.6132@0.85699975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16385	13703	9924	9365	13848	16851	13397	14786	9539	9317	9234	1	26057	24160	6214	1	1	11411	9645	13587	12142	13979	16684	13610	12941	17652	7551	6773	25433	25181	22590	21576	20489	21007	7308	5624	21140	20986	18763	16528	13868	12738	13493	9831	12914	10421	12364	10369	12271	9758	9033	7171	7606	9416	11657	10466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
704.9246@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17770	17207	8603	6940	13796	13300	1	1	8083	8299	17501	17425	13226	13974	10820	10341	8151	12289	8459	1	1	6023	16564	16521	16362	14710	16607	16308	16213	20299	20555	23935	10921	13657	9217	12542	14230	17763	21910	24221	1	5712	18606	17379	13681	14054	14152	13463	14198	14493	16575	17526	16367	17082	19542	17259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 14.044005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	128700	44949	44734	106048	1	54566	34334	73790	227911	67356	11241	53923	107157	33375	491657	20736	37078	27106	34877	51088	1	160838	1	52029	265075	496475	49848	25904	8966	178537	14057	190240	11238	33451	187253	154395	29829	1	27915	652776	275720	114004	9655	123021	63386	218476	9709	509821	108454	99707	8827	30712	116832	14800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
344.9665@0.8919994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	101259	104741	95350	94051	138313	137795	79656	82333	74318	71741	50085	53858	185395	184942	77456	82008	73632	69697	78331	56312	73414	76136	127682	134464	127187	132284	44387	46773	176911	176747	165656	164389	174182	171597	72154	93898	201535	206521	189254	185112	97932	97629	162033	161253	128508	130206	112750	113943	47094	47875	116229	121326	119191	112374	144511	121469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.8494@0.8384905	132491	133755	138793	139708	103805	109587	148301	147212	132916	138235	116304	107280	119185	117506	128697	131101	129053	131322	129265	124406	99552	98739	150260	152304	121785	123502	118296	121220	143455	149528	28127	28339	31759	29215	26108	26552	26923	26616	30766	33188	28137	29039	26110	26215	21273	24133	30739	30632	19839	18104	26061	28459	34295	35240	18829	17590	34480	38632	62460	52862	62211	61887	89286	85803	43285	34976	51629	38552	35123	29612	58572	61744	104189	107183	67148	70288	54398	6255	24522	28602	42820	54278	59239	69788	35904	40914	56124	64169	92395	92946	85158	94128	154768	157250	118826	118680	136499	128848	85448	88848	143020	142089	120190	115114	111823	113550	46512	49590	114278	106602	95123	94783	170267	126667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
582.6384@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9691	7867	10360	9678	12575	11051	9832	7800	9511	9268	8257	8902	10137	12589	10426	8282	12350	12559	8402	1	6937	9513	10677	14374	13229	13504	1	8454	9696	9047	13426	12486	14551	12444	9110	11274	11415	16286	13534	11587	12421	10166	13590	13467	11845	12780	11518	11719	11392	10462	10273	12518	9243	11637	15545	12386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
933.7196@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37389	39224	37029	44344	60816	60205	29328	35733	38906	39850	25873	30945	49620	53380	15474	17895	31561	27620	34021	29903	29616	40561	39171	36569	42286	43734	23418	30845	56600	56865	61211	64088	58630	64580	37911	39732	59574	72993	60454	60940	25401	28369	60841	53939	32602	33295	37762	41660	26900	27175	42502	36524	37916	33993	42157	31955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
814.8577@0.83889216	23451	23683	21266	16997	25891	30797	14858	16476	21666	23259	25138	27619	25495	23010	17178	23190	21995	23639	21180	23476	24619	26332	15484	16476	24827	20498	22511	26837	22535	19564	31936	29414	27372	29820	29149	25292	29681	25890	32096	31890	28666	30711	22814	24194	27550	28473	28395	28521	23731	31658	20070	21577	32145	38712	27860	28190	30969	31340	7372	8799	7860	8530	12718	13706	6184	7537	6092	6081	11156	12128	16641	17656	15897	14466	14613	19651	6130	1	1	1	1	10054	9558	12601	10869	11134	25245	23449	19654	22536	27297	27114	11389	18360	32596	29842	26262	22866	17792	18006	20456	21153	16099	14968	14152	14531	13860	17134	14999	15674	16814	16282	21161	13238	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
252.0826@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10520	10381	1	1	1	1	1	1	1	1	10570	7544	8146	6623	1	1	9505	11212	1	1	9773	10791	1	1	8211	8299	8467	8885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.8898@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20840	24386	21861	20053	18630	21041	23401	17683	21807	17504	23357	16280	19026	10950	14092	13775	19754	20936	26119	16616	13821	17685	14804	12355	17831	18068	20936	21468	14316	15490	15500	14825	13294	18294	19787	21200	17579	20405	24072	25519	24147	20699	25827	27623	25108	23699	19431	20027	19169	13767	22614	22517	19718	21164	26888	23574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid nullnullnull 2.467954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44469	37894	41296	33747	171354	173577	47203	56640	40350	48603	31758	1	127297	112216	43120	41408	40620	10791	43479	44687	18496	40279	72939	115894	119769	124706	34740	50343	69619	455375	251738	44302	101180	30973	42151	74029	285582	289996	135686	184691	1	79101	252650	107000	101055	69342	122768	1	37061	40980	66635	62039	105465	17541	1	60403	34728	38748	42248	39980	1	35005	1	28256	19937	24540	1	45294	51358	1	1	1	53057	39516	62915	52018	54744	49941	1	52292	88790	115465	53233	61643	106840	96232	1	1	35223	1	45825	49948	1	19059	80830	67830	54814	69021	32729	41063	99403	95288	1	44940	53608	27303	1	23682	1	53773	1	138811	47108	1	1	1	126258	45550	1	1	1	35871	149051	151947	1	1	1	1	1	1	100150	90665	1	115680	1	1	1	1	1	1	1	1	1	1	45795	1	1	1	1	1	1	1
524.7873@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15210	18701	14920	14091	11859	16712	17756	21616	19414	20080	14138	16895	20970	20099	11010	8978	21891	18637	27211	21723	15679	16376	18945	17351	12620	19221	16720	14516	19941	20180	17598	15261	15320	21084	7120	1	17866	16219	15014	11629	13176	15468	13817	15076	10622	14006	15988	15295	23257	22414	11594	13712	15185	15498	15914	16038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
652.9159@0.8460002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19178	16143	1	1	1	1	6305	7450	29758	31262	1	1	1	1	1	1	1	1	20167	19730	16915	19746	6545	1	26132	23173	24440	23262	28219	27325	7490	1	28909	29574	28599	28306	1	1	24090	19940	1	1	9420	1	6611	1	9660	1	1	1	1	9875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
339.7926@0.86428475	13669	14764	18989	17243	16885	16041	16989	14342	20487	23167	16432	22023	25698	16370	15728	15026	15740	17438	24284	20510	17238	15388	16876	10631	18109	15808	13438	20748	18697	14430	23377	29006	22481	26076	23684	27573	30798	22520	28709	23905	27790	23681	24321	20421	16371	22238	24842	24009	25063	26433	12003	11812	22494	22896	28070	31825	24378	18525	20669	18342	18858	22978	17244	17247	22983	24499	27447	23872	24892	23824	23094	25002	14158	11276	18725	23352	21401	32696	29328	28803	17653	16654	12511	15310	23790	21752	18113	15631	17265	14382	14723	11619	11732	10434	11990	11021	12221	12928	20536	16578	10079	13320	16538	13856	19670	17993	21140	21401	15172	17923	15872	17327	18804	19870	22420	20396	23548	24301	16628	14605	26417	24041	21883	25613	26454	25607	21152	24002	21773	21160	22615	24302	22716	20827	24512	25666	24951	25307	24491	23502	27448	24231	21067	22889	24375	25723	23698	22840	30539	31049	27178	25607	27748	25074	13191	16281	26082	26618	16768	16674	22287	27073	25654	24559	8214	7325	9221	11329	9426	9206	17840	16515	10900	11232	11413	10060	21504	19435	12804	10880	10129	13791	12760	10103	13184	12762	11488	12450	12972	11545	11544	12549	13010	13594	11866	11015	10485	11596	11858	11205	11863	12713	19287	18397	10928	12767	13196	11639	14400	14165
524.7914@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17145	18743	12485	12326	13031	17445	13461	14177	13119	19446	15503	17498	16567	21379	9152	8712	19460	14860	18472	20065	11430	13730	15815	15228	14107	17815	15084	11500	27506	18882	17250	15600	16844	21008	6651	1	18167	10657	13782	17013	14361	15336	10144	13048	9945	14529	12702	15833	17972	19861	9849	11482	14343	14954	17289	11023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2E,4E,6E-Nonatrienal	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34920	71038	74277	35422	36965	27701	33198	1	1	51590	43469	39403	40587	110250	100152	1	1	29397	35040	110907	130764	214001	160898	158845	142404	91315	106581	49653	51524	81097	65849	55391	54659	119473	119015	95720	103027	147081	118436	96522	87687	146700	140170	84662	82848	131664	121255	1	26494	197251	174864	123588	98010	89707	126662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.665@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17450	19256	21872	20608	17355	23618	15516	16522	20142	18093	15412	13629	14813	18164	15038	11881	14429	11383	22740	22342	20566	19683	23540	13299	18255	20257	12949	16765	10672	11949	17195	15521	19034	18097	11587	10835	13584	22435	17425	15787	14412	19902	16926	21476	16107	18630	18894	17034	16448	10682	13343	16236	12883	15045	18757	22458	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
748.3553@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9236	8170	8031	6921	5949	1	9558	7916	12647	10637	13272	12993	1	1	15502	14035	16495	15751	8813	1	1	1	1	1	1	5997	11410	12242	1	1	1	7462	6202	6239	9953	8569	6339	5628	9395	11242	16600	18724	11875	12477	15590	14439	15191	14971	19798	20618	15639	13165	15322	13324	18941	13154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 N O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68427	62535	59951	58695	99350	97679	1	40778	51138	57069	31278	33221	89414	93762	1	41547	49555	46164	52933	57194	58163	63662	86132	69086	77346	75635	35897	33119	80883	70433	87084	87082	85773	87543	47498	71525	100773	99741	92493	91006	66019	60526	90393	79758	86511	80950	76460	72540	41162	34595	70531	64054	80416	71393	86010	83108	47594	43198	38792	39523	255425	259286	40663	38539	26751	25639	229319	42282	45776	50527	57522	46931	32880	45428	66213	63135	57615	54767	35609	51404	51036	48115	43685	44058	48997	48870	34676	35168	46901	44408	150419	148807	37407	36918	34579	35372	273791	273274	30132	24679	378873	62982	58701	54656	32339	30363	66685	66808	61501	64235	80369	80988	52635	51986	128401	131844	69118	71256	16302	15755	10496	10737	14569	12093	11051	54951	17808	154013	217703	200652	79501	79148	147883	10326	188508	188827	15944	14262	176747	170678	11946	65427	18576	151577	14692	16797	141340	134760	12614	176098	157171	148356
545.7181@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22651	18342	18794	22106	18919	16137	18817	19039	22212	22577	22476	15396	8996	19837	17415	11364	20222	16048	20306	24916	25222	26714	21937	14542	16667	13136	18700	20102	11124	15426	17398	13556	9090	13471	11428	12943	15287	13583	16293	18159	22890	16282	17290	14585	20840	20182	21986	21125	16311	20418	17609	20638	22902	18723	23780	25503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Phosphoadenylylselenate nullnullnull 0.8440004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13210	10259	11027	10608	37088	39811	1	1	1	8568	14684	10449	60033	61295	9866	8933	9271	11043	8882	1	1	1	28607	30140	22277	29089	11075	9895	81868	83333	66798	64944	79083	80393	20991	26611	88860	88013	71914	71963	8365	8840	52385	48273	13116	14112	17872	18236	11780	15080	16277	16388	12378	12688	25878	18812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
320.9448@0.87700015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14832	15692	13869	14136	20049	15915	16017	14820	14058	14225	9482	9400	14543	15409	1	1	1	1	14265	21329	18962	20828	13087	14184	17052	15827	1	9679	8544	1	1	10009	10144	1	1	8465	10210	10155	13252	14622	12219	1	11348	13879	12589	11245	12774	12760	1	1	9923	1	1	10777	16696	15264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
682.791@0.8800001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24382	20296	25713	19218	35653	30855	19092	17245	17822	21021	12119	10764	31036	32706	10636	12441	14730	10747	19778	16748	25486	20946	33997	28434	30572	33574	11122	1	24638	21185	22543	26405	31153	26236	18704	18961	34816	23340	32493	34829	15835	15251	32396	37667	28153	26135	21859	28395	9157	10475	22850	24079	18641	23681	25803	28315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
809.4114@0.8682805	10594	13076	9519	12681	15937	18278	8745	12056	12691	10653	13923	14782	13658	12054	11922	12523	13085	9037	12366	11394	17341	13850	9011	5486	12424	12965	10469	12070	11369	10731	17767	20284	19610	18518	19497	18631	18151	19169	18688	18601	18912	13187	18179	16543	18991	16565	19126	18778	16502	15290	8653	9869	22845	21492	21846	23962	17125	17846	7305	8341	10090	10439	18697	15628	10309	12736	12755	15077	18332	18844	33458	34215	8941	8547	16091	16707	10169	10149	8190	9203	19283	19759	14910	16023	13829	17598	31448	32634	24075	24040	22496	23427	6175	1	20575	18825	18066	15453	12985	15018	10155	11596	8822	7623	10525	10943	22670	21061	10588	10412	14121	10603	8560	10414	8560	11298	12670	13340	8191	7769	11952	13622	8355	11713	12468	12115	12566	12376	11859	12592	11683	11018	12101	12139	10895	10773	12378	11456	11598	10883	14213	12158	13166	12124	13144	11111	12721	10980	11124	12369	13913	12657	14343	12164	6568	6440	12444	7554	6290	7053	11271	11408	11627	8641	7213	6521	7144	7575	5434	5853	11053	9709	5705	5617	7608	8343	13685	14983	7771	8391	7213	6741	5454	6426	7531	7257	1	1	7097	7943	5617	7289	5694	5893	6843	6652	1	1	6716	7593	8416	6897	14810	12300	7667	7377	6425	5895	6024	6974
100.0159@1.2971581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56870	1	1	1	1	1	1	1	119456	115658	1	1	1	1	101689	94832	1	1	126636	1	1	1	1	1	1	1	47525	1	1	1	1	1	1	1	1	1	251073	247111	53465	1	104817	1	1	1	67935	1	1	1	52223	55699	1	134754	65681	1	63032	95932	129148	129913	123630	65186	128724	124657	133928	135904	91426	128879	183483	178898	124578	125455	118802	133569	76080	94029	111555	198366	161976	174064	92123	87038	93584	39358	116593	74074	81888	62382	93404	161910	121375	120313	146709	132386	118962	110597	65118	177573	108928	49070	95115	106327	107787	132757	113520	107687	140211	130518	149727	152006	124160	127205	152579	150200	111765	104880	195282	192833	124523	122240	186060	192489	115485	120542	140340	151365	109673	115850	203366	197666	131775	122758	140098	145463	286817	280058	201806	148971	134397	136164	220062	129806	130270	129511	168400	172008	114224	107180	167469	168532	237741	235128	209677	215100
<none> nullnullnull 0.85900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13716	14142	13478	12709	24026	24401	9123	13017	11422	11303	1	1	25625	28960	9077	8691	9111	9074	11214	1	10937	12944	19700	23558	17789	20464	8375	9622	26823	25669	25706	24839	21547	22050	9386	11214	26686	22688	21639	23693	12241	11976	18639	18870	16117	17420	15466	16079	1	8610	16501	16216	13407	14175	17414	13896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
8-Oxo-dGMP	240941	235835	366964	373535	218365	204966	405551	391433	354964	355592	241115	248665	338022	342683	286818	283652	285069	271250	324961	335351	134364	143075	449237	455601	321904	342232	309647	313390	403498	410973	49707	52632	72221	69578	59455	58754	56669	59672	71417	70161	99532	102342	40251	41022	66061	69064	90253	93580	17765	19113	20423	22613	104855	98282	18442	19099	117479	114558	8335	8740	8457	9723	20964	20094	8315	9474	1	7985	6433	6905	15642	16424	1	1	1	8004	7389	7349	11917	13955	13678	12935	9885	9640	7129	7341	20801	20377	13399	12744	9184	12028	1	1	20076	18538	9901	9543	9594	9830	18686	15961	10053	11174	12256	11450	6538	1	1	1	1	1	9715	10716	15032	14301	90582	84545	57309	57121	88183	93085	37639	39188	107221	108943	95727	93786	137721	136179	55571	57678	136928	134050	25894	26214	50563	51320	131080	133448	167637	171900	99321	100432	12682	15548	78689	74295	33644	32976	134942	128709	34508	35108	33934	35072	25120	24661	147750	149807	105782	104457	19024	20040	54967	54755	17310	18695	10488	11530	1	1	15260	15073	28877	31307	18632	16994	41765	44658	33283	31819	34053	34816	21380	22501	35203	40018	29523	30088	36184	38326	13439	15861	48057	52182	40603	38038	62148	61545	25083	27139	1	1	1	1	13955	13422	20215	18906
588.6943@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19147	14658	16724	17866	10824	17244	21516	20631	25425	23233	24072	22542	21094	13467	18689	17370	26969	24152	20859	16979	14068	17490	15770	15884	13512	14537	18085	26903	16989	20334	17576	17844	16908	14158	10382	14157	16014	17189	18869	19767	21127	23978	18436	20633	19359	18774	22370	18253	23532	27329	22273	20625	20673	19861	26290	20509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
594.0857@11.647895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33241	9044	28465	36568	14675	38214	33341	32106	6265	30161	27133	36026	39347	7692	34735	1	28229	35708	1	1	17672	22276	34840	27680	29930	18108	31733	24736	1	1	13562	1	1	1	1	1	24650	28138	25616	26501	1	1	29125	21614	1	1	22350	1	1	1	1	1	26470	20220	33382	19625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.0549@1.2483654	39182	39004	56977	60531	52315	52007	55713	54795	76566	78119	57999	59039	46211	45579	51466	45212	74369	79927	61611	63699	41331	41374	86261	87219	53553	60929	72727	76054	118589	119720	1	1	1	6257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6842	1	1	1	1	1	1	6913	1	1	1	1	1	1	16844	14999	1	1	1	1	10743	29510	29035	29470	19872	40680	7290	7924	10793	9862	34836	37243	19464	18745	22032	23281	1	1	25750	21573	13193	16172	1	1	14058	13798	1	1	1	1	1	1	14561	14238	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.915@13.663148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39074	38508	40673	41913	1	1	20802	1	53643	1	21552	1	104386	1	1	1	30889	1	10546	1	28156	9566	1	1	1	1	12929	1	1	121120	68318	7224	47996	20013	1	36955	1	1	1	1	23015	1	68468	1	1	1	1	1	21974	1	1	1	1	1	1	1	1	1	1	25535	1	1	1	16598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31878	1	1	1	1	1	1	72991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H9 N5 S	21098	21639	23574	27855	15278	11013	24759	23142	22233	27741	17359	18247	14908	17788	19531	18743	20725	17531	15900	17274	12671	12841	23252	24463	20374	24871	21771	20792	29151	29487	9312	9347	8755	8541	12275	9909	1	1	9653	9577	1	1	9554	10923	11515	11937	11114	12987	1	1	1	1	10941	12943	1	1	10965	9895	34708	29929	29160	27977	59962	61062	22556	19779	29559	27807	22839	21251	67810	69704	28167	26580	24733	30784	24195	22306	37742	38789	63591	66271	50450	52954	24519	26792	142873	143184	108779	118785	78807	74033	34176	36785	99701	98846	82917	78539	39597	37981	89986	93746	44319	45352	52651	44552	26586	29236	53469	56510	43687	40282	61606	57686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N4 O4 S nullnullnull 1.2845815	16768	12302	10536	7410	14093	14471	12831	11327	12741	11326	15442	23125	13607	16935	13025	20068	13331	17742	14312	14520	16005	25127	14878	13343	10605	10550	15939	12187	12591	12893	23424	24435	20448	15704	29747	30015	13977	38554	22310	36740	12225	18553	37007	18992	25827	14794	16473	37896	32219	33631	11073	25027	39869	19118	27091	17017	19947	11814	13480	13790	15638	12859	14352	10690	14173	13151	14492	11414	24053	13048	11248	8185	35584	12015	19888	10263	27039	20576	22632	9514	12300	12057	18494	13157	11479	24142	10732	10438	14405	10400	9921	10208	19968	8433	10357	8340	11800	10058	11016	9434	12441	10486	13716	12470	26612	1	15713	14015	11285	15245	13822	11229	1	18646	9384	27624	16418	8579	8441	8572	16656	24040	24202	14820	9438	8040	12457	11606	8376	9782	23579	6222	23541	12310	12611	8514	10924	10773	20180	12775	9183	12692	10492	24768	16520	11946	26962	6815	11660	9729	7692	13420	12525	12442	8256	9369	10895	10665	9871	12116	10572	15082	15091	11955	22413	1	1	1	1	1	1	29864	24556	1	1	1	1	1	1	1	20892	1	1	1	1	1	1	1	1	1	1	1	1	1	28685	1	1	1	1	1	1	1	1	1	17399	1	1	1	1	1
> limit nullnullnull 0.8460004 :12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11794	9680	12079	10934	8065	7661	12973	12327	14129	14819	18641	13882	10864	10724	24255	18494	19942	22627	11573	1	6531	10180	15128	14471	8384	7177	14774	15739	10345	10393	7948	10668	8554	13524	12443	16462	7676	11830	14905	15162	20601	22022	11615	11741	16894	19683	21918	18325	22432	25026	18585	18007	21317	19627	24523	20606	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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568.9522@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26343	27380	14745	13418	26873	24715	8213	1	13180	13388	25271	22174	32947	31351	12972	12894	11654	11969	12995	9787	10960	10969	34684	36462	31380	33383	21858	24611	46471	47821	43689	43286	29044	33724	14426	19190	34534	37349	41162	38907	9741	9659	33418	33485	19550	21981	21303	19103	14066	18396	24775	22161	20902	20180	24266	21896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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1098.8954@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7114	11613	1	10291	22374	21942	6901	9240	7657	6507	6610	9313	25556	21122	1	1	1	8169	7349	5823	8392	7211	19550	20694	15024	17302	1	6661	28999	27035	23627	22522	17509	24122	1	1	28775	24894	17659	21723	6276	6851	19939	17567	9766	8329	8936	1	1	6724	8243	1	6937	7104	10450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C10 H8 O15 S nullnullnull 0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81694	81160	88677	87523	61480	61419	108284	96075	99662	91553	95619	90766	43952	41741	139315	133420	144431	135604	105158	59630	45437	49859	33955	39062	49948	52933	83319	83071	37272	35443	48151	46796	53347	53011	47237	86993	65513	65401	80517	79628	148597	151250	94181	92025	121098	119238	123358	122968	154216	159451	122921	121276	129337	130654	178242	132789	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
518.9822@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13379	11122	9827	1	20173	19165	1	1	1	1	11928	10541	21292	24188	1	1	1	1	1	1	1	10013	20280	17333	15959	16941	9829	10238	22905	25768	17781	21220	19352	20679	1	10599	22332	25301	23616	23678	1	1	17860	19358	11155	12273	13277	11166	8375	9122	1	1	1	10652	12571	13564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
668.8907@0.84899974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7718	6507	1	1	12168	14542	1	1	6344	6137	1	6999	25019	25998	1	1	1	1	1	1	1	1	12716	14175	10830	8135	1	1	25637	21971	18744	21728	23204	22859	5543	1	24031	25082	20110	19058	1	1	12644	10002	1	1	1	1	6139	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
279.0505@0.8910003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6968	6822	11433	11961	1	1	1	1	1	1	23401	22540	1	1	1	1	1	1	1	1	13143	13892	9534	10751	1	1	17328	16659	13832	16772	15553	15267	6692	7489	12586	13946	14738	17983	1	1	12104	12057	7004	7025	6747	1	1	1	9317	10809	7800	8595	12970	9100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4R-hydroxy-octanoic acid nullnullnull 6.628019	199067	453100	190060	1	206380	199220	197544	193895	473959	163935	189299	164127	161311	400230	1	171306	60864	199330	159919	163996	388494	53548	167112	205192	195090	220714	117569	206443	60237	203944	188977	194555	192015	196578	187160	201015	126559	448773	451948	199304	196288	1	415227	1	49797	1	426489	1	207812	202945	225674	192056	82354	220975	203499	163963	232329	1	129268	132711	141288	133125	111325	130786	41437	150894	107742	122616	115045	120360	258820	124105	242751	138559	139598	88211	136336	135394	135453	303075	104232	126273	155389	120347	136949	44340	288954	144455	131539	300383	114970	126135	97727	144666	169425	394033	156893	156242	174862	163765	326717	181268	101240	153940	273229	171660	411954	157919	421056	138300	165820	413004	1	171698	175951	134539	443658	176295	188883	85819	189461	117023	172863	185506	181012	171672	83967	187043	47478	158040	454345	156321	204643	469409	161537	174530	74023	75360	177785	174197	181138	182565	152830	159636	162281	155452	56330	171252	190373	174821	179673	429425	168166	193298	477047	35863	157454	196524	127945	63706	150945	489865	98682	191769	202304	220858	150648	192089	107144	209220	213540	156119	210814	230461	181311	186299	206077	205527	74644	95184	174080	462068	101885	192955	196355	90623	192450	199266	180055	190651	198222	454845	204862	367788	363050	98682	83429	201020	493179	483943	207562	138726	63267	497885	130154	432455	217341	57428	203380	468451
935.9163@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7736	1	9052	8426	22302	23797	1	1	1	1	1	1	19009	20768	1	1	1	1	1	1	1	1	19865	18796	17302	18564	1	1	16225	16552	23779	20129	19741	20871	1	1	20896	25307	24399	21789	1	1	19357	20973	10897	11329	6920	9994	1	1	1	8419	1	1	9777	8161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.5558@0.8636322	10026	7920	10137	12755	7503	9382	10650	12129	9545	7917	11472	7332	1	6296	1	7740	10823	10758	7470	7961	1	1	15418	11287	6809	6916	12456	7618	12252	11109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10876	10048	11937	14007	13555	12821	11495	13127	13644	13241	8041	10325	18140	14581	11118	9400	13973	11885	9393	6703	8289	7707	9974	15039	12496	14250	11358	11533	10714	17260	12592	15229	16337	12064	11773	9084	15779	15244	12796	13284	13761	9929	14774	12976	14558	13721	15721	11982	13689	14225	14997	10231	13283	12161	20634	16944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
624.4041@8.074001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18456	1	1	1	13241	10540	1	1	23942	36186	1	1	1	1	44621	14717	21061	1	1	1	20844	70723	32630	41040	16757	19542	46114	16830	47191	80410	14842	42858	71804	1	1	20490	67102	45158	28394	61128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8810002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20178	24707	15732	13733	17019	12344	20630	21299	23768	20697	16818	18374	18053	12843	11788	12034	27349	32897	27206	22958	15728	16715	16161	15144	20023	20974	18923	17104	12589	10449	15977	14780	16093	19625	9282	8294	16008	19678	18867	20174	20853	29328	17282	20703	18695	22663	19749	26921	28425	29034	17817	16180	24150	22582	32232	29277	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
863.6427@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24469	23516	16239	24547	27520	26852	27110	30862	34139	28164	16458	19293	29559	31720	10159	14437	16764	22101	31435	32617	26297	27049	31583	21601	25889	29879	16205	17938	25598	24502	21583	20922	23038	22210	13547	10562	20679	24330	23506	27976	19559	22947	22214	21206	12973	23058	23798	23321	21029	22335	18145	20428	19659	17156	26062	24846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 N O2 S2 nullnullnull 0.85649174	130175	126192	124961	132781	132053	133798	115927	112515	129378	131732	132595	129484	130394	133823	121487	119007	143453	128808	129847	117784	125312	123170	105431	108564	117841	125779	119442	117914	105608	108424	148499	153968	152642	157787	149867	151726	151880	150800	149015	146638	152386	152005	139480	145312	135623	139780	150065	145739	144205	141692	104591	103770	149775	143112	153128	149003	149457	165968	112313	107695	111772	121018	90210	89258	132560	129203	136759	148205	128231	121840	70059	65417	89493	87307	127924	122190	137979	171352	147068	148252	85409	81635	93233	88080	120764	122608	46167	43363	55901	57006	60725	55314	86689	72496	63258	62874	70570	70207	119002	116463	80957	79775	101262	101897	106306	105195	124842	129109	104856	104327	109375	113053	112022	120464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
988.2977@0.8465276	12193	11134	11936	13975	14226	11238	9976	10036	11669	9363	14272	11369	10476	12898	12631	10490	11186	10225	11480	9662	11580	12680	7580	8590	10811	14169	11900	13969	10010	10174	12250	10951	10993	13478	12439	11014	14400	12336	11383	12457	10315	10254	10904	12136	10574	11351	12273	11243	10363	10342	7135	6879	12635	14095	12196	10463	11177	12836	14385	12904	15434	12428	13149	10728	15046	13424	12871	13263	16571	14777	1	1	18611	18715	20251	23296	10348	11494	7167	8503	1	1	11312	11164	15377	16541	7725	6847	11706	14827	14787	12550	12212	13530	11679	12655	19429	20742	22613	20384	16997	17535	21433	20043	22793	22469	23345	25180	21561	21187	21379	19555	26071	24715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
706.6022@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16033	19018	19391	21210	13730	16492	23125	19432	18440	25001	19108	18082	10961	13721	14621	13423	24268	20605	25902	24415	21549	18084	15683	14319	17105	17989	21131	19261	8309	13552	12846	12736	12752	13317	12967	13906	16605	16344	16058	11880	24526	20064	17709	14838	22061	17164	19542	19483	15590	22483	16025	18675	20723	20768	25166	19520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.8681@0.84299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12361	1	1	10539	16368	15775	1	9110	1	1	11242	11723	16770	16616	7752	8174	16872	13310	9163	1	1	1	13812	10896	15793	14285	12064	10731	16271	17089	18194	18837	24423	23177	10493	14456	25262	23164	27078	25804	11162	13928	20035	23866	14156	11738	15147	16995	12103	12787	14267	18376	17381	13716	17069	15662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
235.855@0.8630003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13840	14128	17985	1	1	1	1	1	1	18110	19011	1	1	1	1	1	1	18418	9719	22832	22395	20111	15371	5175	1	14584	14202	15127	17126	19247	15475	8886	11247	15431	10524	11887	11360	1	1	7177	12313	1	1	6346	7904	1	1	8305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H44 N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28545	27643	19884	12651	46698	19018	27762	26740	17755	30010	33327	25569	50601	20148	25439	34325	31996	22578	29775	30345	60341	56742	803642	187030	104373	59957	41230	25255	23278	30646	29811	42709	86012	53457	37111	36635	115057	50033	149616	50576	58169	40373	148012	108190	48816	35112	1	74046	49559	43917	100913	60140	38110	44379	4225847	59354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
415.1192@10.187346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14248	13656	1	1	1	1	1	1	1	1	1	7130	13659	15234	15874	16194	1	1	7092	8463	11404	10534	1	1	1	1	1	1	1	1	1	1	7824	8058	17702	20030	1	1	7199	6942	1	8230	1	1	1	1	1	1	1	1	1	1	11082	9273	11386	11455	12009	12512	1	1	1	1	10861	9663	11438	10616	1	1	1	1	1	1	1	1	12202	10851	7661	1	12833	9504	1	1	10001	10397	1	1	9988	9748	1	1	12135	11252	1	1	18271	14906	1	1	11447	12527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
190.866@0.9151357	11630	12242	14381	14151	15374	11846	11435	11207	9195	8699	9628	9298	11800	11025	17967	17180	11988	11741	13320	13205	14263	10968	14739	14310	12215	11528	20755	18220	17269	18506	1	1	1	1	1	1	1	1	10977	10914	1	8125	12831	14718	15675	15174	9610	11368	11278	9685	10942	11128	9680	10342	1	1	11470	11259	20373	19731	13095	14098	14780	16259	9010	10837	8077	8034	12195	9910	9615	9657	14537	17131	11923	9394	7998	1	19507	21146	13805	16168	12246	11353	10695	9567	12623	15593	14072	14474	10786	11944	24586	18647	20917	20371	14811	11622	14811	12224	18596	15220	13660	13612	9606	9372	6755	9304	25604	25319	1	9863	1	9342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H Cl2 N3 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27277	25646	23497	25416	42515	39650	22892	22639	24808	23151	14353	17415	34789	34435	13329	15967	19839	18244	25266	20113	19243	22510	26101	26271	30003	33380	13056	17529	31626	27840	32711	27565	27684	30306	17629	15365	38346	34413	34662	36295	21636	19446	36227	32939	24278	25128	26466	26701	18551	18612	24725	22690	23970	26741	29261	27992	13223	14036	12059	13264	1	15088	1	12922	11386	11036	11506	1	12483	12096	12447	1	11896	14366	1	1	11820	10924	1	10446	13170	10473	13327	11722	1	12635	13392	15074	12066	11823	12190	11757	14982	12858	9541	10920	1	1	10695	11227	15054	15822	8797	12376	8804	11660	1	6801	8429	1	1	7644	1	8101	10080	9966	7071	8413	9707	8862	1	9076	9176	8552	1	1	1	10209	9575	8625	8224	1	8067	7504	11300	12904	9104	1	10221	9328	7855	7686	9534	1	6101	8703	1	9127	9434	7773	8385	1
300.9759@0.88701034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9695	8514	1	1	11739	13727	1	1	1	8875	1	1	16024	16538	9796	9793	10144	10970	7700	7360	1	1	1	1	1	1	1	1	14783	16723	15397	14216	15579	14595	1	1	18080	15862	16899	6326	1	1	12241	8095	1	1	1	1	9439	1	1	1	1	1	10044	1	15032	10485	18569	16505	19360	21621	13384	12452	16810	14519	13452	12557	12390	12320	1	1	12136	13103	9677	1	1	10818	12093	12523	14066	8561	12060	15659	8633	12085	17133	20482	12346	14546	16271	18773	14832	14694	10385	15324	1	10883	11992	12067	19791	19748	8462	8592	7303	1	1	9868	1	9996	9699	10883	13728	11534	12162	13950	13287	12010	10754	1	13609	10792	14390	9557	1	10955	11082	9556	15257	12756	11630	10592	9212	1	15897	15923	1	9728	11736	13849	1	9275	13224	10893	1	1	11958	11665	1	9515	9963	11708
664.1633@13.372223	7494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8296	1	9694	1	1	7997	1	9076	8836	8905	1	9852	9026	8936	10025	8913	8010	10309	9631	10444	9486	8182	9423	8501	9367	11772	13491	14272	13387	11685	13137	13419	13419	14412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8044	1	8968	9722	1	1	1	1	1	1	1	1	1	1	1	1	11536	13959	11239	12880	11296	12551	10971	11837	14450	10692	10230	12166	10864	10352	13718	11480	13063	16043	14558	15691	19726	13660	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
950.2812@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13781	11439	12328	12274	13722	11190	11028	9837	12671	13076	16240	14167	14337	9340	13557	12068	16557	17832	14588	1	1	1	8101	1	8711	6912	14194	12975	10218	14439	13220	18422	18755	18615	16935	17791	21857	17097	18565	21964	12582	16861	21681	21075	17375	17857	18703	15036	14317	17457	17861	17819	14367	14998	19795	17274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
139.0307@0.9025458	14395	17100	14181	15532	13303	12952	13859	17338	18361	16624	15614	14578	15306	13829	18965	15859	17805	15960	15261	14636	12521	14487	23200	20908	15510	18875	18648	19651	20888	22338	10646	1	10166	1	1	1	1	1	1	1	8202	8521	1	1	8055	1	1	10805	1	1	1	1	13200	10914	1	1	10561	14324	6435	1	1	1	11419	11208	1	1	1	1	1	6993	16340	17933	1	1	1	1	1	1	1	1	15945	16897	14857	15266	1	1	25362	23107	13485	15286	17733	16800	1	1	11733	12361	16177	17497	1	1	11762	10560	1	1	1	7424	1	1	1	1	1	1	12705	11416	1	1	1	1	1	1	1	1	1	1	7620	1	1	1	8739	7517	1	1	10465	1	1	1	1	1	1	1	9483	1	1	1	1	1	1	1	1	1	8856	8297	1	1	1	1	1	1	1	1	9458	9339	1	1	8496	1	1	1	1	1	1	1	1	1	1	1	10332	11479	8453	1	1	1	1	1	1	1	1	1	1	1	11469	12054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10616	1	1
?-9(10)-EpODE nullnullnull 11.388858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19463	19189	1	1	27580	32320	28619	27059	184992	39224	24152	16769	1	10614	1	1	1	1	1	1	1	1	1	1	26410	12355	28065	19720	46154	32624	17286	1	48124	17338	1	1	38733	37210	23137	23496	39152	17162	81204	80066	35152	30331	122629	116941	134196	132837	59079	62515	111177	111838	48627	51688	138140	115622	77395	76615	147495	168295	172391	172217	102922	106247	102473	97435	75092	103665	95229	61287	75096	80036	30301	31562	53316	58329	115703	121928	23376	47505	99423	97772	69123	64859	119700	121432	128748	131218	95627	110326	26367	17193	34541	32184	67684	59744	87384	98582	44461	39499	68849	57973	33390	37731	15818	19569	1	1	1	1	22190	15767	96138	77344	31927	32188	28354	23412	28705	27103	31388	33899	38088	29022	1	1	49351	1	81376	82508	1	1	1	30610	25444	24029
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DG(20:4(5Z,8Z,11Z,14Z)/21:0/0:0)[iso2]	25123	26977	21525	29688	23686	23609	24401	22418	30527	24277	16631	23220	20054	29498	20286	20121	21682	24041	23879	24661	16567	17563	25350	26138	23130	18086	23153	16860	26735	20794	9789	10429	10542	10520	10684	11684	13434	11226	11117	11616	17791	11071	12180	8751	10466	9252	12101	11109	9118	8267	1	1	17162	13451	12159	9590	15766	16470	17656	16620	19020	17094	13402	16236	21157	16989	20929	21410	16332	18660	12228	8268	11898	13736	17052	15053	16597	15915	23507	21551	9803	12060	15469	16121	20571	20128	1	10618	13816	11922	12068	13420	13107	15641	11191	13917	15673	17078	16826	18915	16560	20145	19429	18579	20732	22752	15087	13499	22323	19634	18355	21982	18341	22145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C29 H N O24	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8960	12030	8113	8903	15464	16913	1	6655	6319	9258	8696	8166	17171	23006	16699	14897	9036	15886	7071	1	1	1	11183	15906	13355	13585	9672	9936	28263	27254	23318	25073	27072	30259	8799	16078	34066	29856	29581	28422	12239	12664	21576	20944	16964	13918	15941	14578	15601	16137	12028	13173	16595	17813	23924	13524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C43 H82 N	10855	8166	10376	9246	9184	8975	7362	8115	8991	7768	8679	9620	10761	11527	9732	7356	10544	9473	9496	7164	8233	8741	9197	7415	7264	9790	10060	9126	6339	7597	5640	6640	7965	6668	7146	7798	1	1	7624	8297	6467	9661	1	1	7848	6327	7752	9543	1	1	1	1	7935	7901	1	1	8722	10137	15675	16892	15877	18003	11533	12847	21378	16948	21672	20135	23046	19197	7882	9252	16305	13701	27290	23514	26638	23872	13600	15119	7702	7296	10607	11623	18721	18363	11093	8009	13623	8504	9819	11635	7149	6991	13298	11154	11213	11564	23746	20977	13917	15256	16289	17112	19545	19221	23990	21423	24589	18788	19194	20139	19713	22751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H3 Cl3 N3 O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	404105	384433	291289	284390	229161	263509	407532	408652	413368	426659	330402	345638	172162	186097	497465	438957	549154	526080	459960	360674	200906	216229	63868	66050	177597	187687	313455	319360	122420	128575	132312	156031	160219	162392	179500	205464	167194	154161	198053	188483	435069	430573	212736	209325	353785	347223	350581	344936	551184	576490	284136	288912	398415	394570	384159	424535	566538	557832	646456	665502	633344	631163	635171	670951	706026	711933	657488	624693	587088	567777	462794	448207	638214	635329	468825	459871	471368	458829	649311	645316	505552	501020	652752	661732	555901	545209	744394	731214	621986	601904	733122	711038	666777	650987	621725	626240	385508	381843	608252	627123	506237	510563	498127	470099	528808	527800	350689	340488	558613	544624	486685	490365	684729	678947	405137	424810	649952	656011	417568	413551	541267	530734	611198	585434	576276	574368	447589	442994	399748	409133	698601	687492	386258	379358	526477	538198	536445	531420	513755	507817	554902	547884	488124	492933	343630	347429	509699	523965	346489	357847	413062	416591
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234.0735@1.242	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7031	6745	7611	1	8602	9320	1	6712	1	1	1	1	1	1	1	1	1	1	8410	8007	8960	8470	11551	12087	1	1	7737	1	1	1	1	6680	1	1	1	6589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 Cl2 N2 O2 S3	130011	123913	132609	132405	148960	138503	118514	116002	132927	137121	146561	145895	145920	148170	116994	121370	130655	133169	136454	129189	134149	132053	105101	108891	131724	139139	129126	127579	104846	121486	179878	181878	192022	182439	183399	177376	188792	194017	175958	178445	176810	176510	172028	165863	158935	157802	172598	172023	164406	166988	106023	106537	182377	177616	190810	187087	197849	188248	856945	866550	654246	644886	457395	444337	983027	965988	986308	1025559	800590	796645	296178	294632	988607	958842	1246528	1192237	1068354	875802	484084	505458	117547	127720	328474	349209	701224	715905	179481	174099	212653	222461	250014	267742	364835	425286	265945	271627	357508	361091	1000173	988623	421258	414889	736051	743995	762469	768161	1269062	1285501	618546	631927	900342	887390	874451	866163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H25 N5 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11213	10557	1	7170	1	1	1	1	1	1	1	1	1	1	1	1	5954	7158	6170	7438	8219	7288	1	1	1	1	1	1	8864	1	7537	10358	1	1	1	1	1	1	7371	7416	11319	11594	11690	13218	7465	1	8082	7231	1	1	22028	21878	10750	9936	12887	7170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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356.9399@0.8770002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13786	14225	1	1	27668	29466	1	1	1	1	8090	1	47982	44920	1	1	1	1	1	1	1	1	40159	38371	28335	29070	10271	1	52885	46704	38719	32150	39389	38319	8660	9597	37370	36635	23953	35682	1	1	19242	23218	1	1	1	1	1	1	10229	1	1	9280	1	11388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
765.7719@0.8493242	138497	135057	140798	137639	111971	106555	149655	140616	144577	145781	119323	126842	132472	122449	122399	130532	130472	130245	125834	138818	99968	103531	150608	140956	128360	125953	123359	121488	141691	145243	62248	65229	64880	60676	60019	64241	56624	67954	59373	64715	62434	64392	60729	58021	66690	57523	66034	66019	57747	56958	38827	36841	67164	60501	59775	67715	62659	65746	32742	31036	25845	27274	17525	20387	28429	34312	38475	37820	29842	32761	24480	23963	15584	18045	32545	27718	28387	33647	24068	24295	15971	19504	21816	14080	28358	25631	17237	18855	18389	23887	12658	15929	15800	17343	20408	24067	14001	19679	19438	22253	24661	24153	20655	23386	24497	29732	22333	22854	19346	21721	24837	25847	25123	26385	13418	11642	13941	12713	5261	11426	12799	14590	14324	14784	8600	9168	12025	13024	12362	13236	12771	13399	14080	13822	12426	14286	15186	13397	12639	12625	12626	13516	12132	12365	14198	14887	13132	13482	15152	16252	14150	14849	14691	13521	5492	8508	15088	15385	7741	9598	13425	12985	14009	14665	6488	7180	8303	7868	7384	6479	13658	13801	8441	7256	9238	6987	12426	12355	9486	8422	7769	9347	9736	10098	9007	8322	1	8132	6502	7897	8087	7336	8617	9609	7395	9077	7592	8332	7509	7942	7893	9112	13503	15216	6484	8890	7749	8090	7646	9963
703.9244@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12784	10112	1	1	1	1	1	1	18384	19774	1	1	1	1	1	1	1	1	11601	12482	10540	10488	1	1	17872	15198	15830	15963	14293	14664	1	1	18748	13814	12497	15139	1	1	10478	14400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.8748@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71290	75143	79243	84318	49269	48609	98839	96145	102064	99161	96484	92892	29898	31531	50636	52037	89751	81156	98058	115532	100383	92991	44304	38604	50819	54677	87907	85592	13336	16260	23461	24460	26730	26866	52122	43270	30516	26641	36718	36971	76751	77252	42673	45915	63891	63872	65503	70517	94535	94561	62136	66983	73815	74107	65127	69702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 Cl3 N4 O2 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10637	8363	8319	10758	10907	13389	8029	1	12915	11592	14771	15368	13676	15859	1	1	11721	9214	1	1	8155	10305	8990	9659	12051	13412	12699	15324	13886	12591	7594	8566	14778	15849	13794	10280	12322	16128	10035	18224	7799	1	12618	15303	8807	7229	14261	7344	9328	10576	9564	13014	15137	1	11344	9727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1015.705@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14448	13143	10537	11463	22205	19435	15432	16186	13247	12019	11983	12330	15597	17628	8594	7968	11545	15598	14046	12585	9375	11373	14371	11055	12635	17347	10915	9824	20425	21159	25033	24266	26072	24876	21366	20842	27609	29427	27914	23935	1	12235	24998	27729	18853	13675	18072	14157	11701	10004	12096	21054	17684	14232	20049	18375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
878.8357@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18712	17200	22474	21652	31447	29288	13296	11918	21814	15968	21782	21125	38985	33488	37024	40048	26486	36524	17111	8943	1	1	22380	21664	22630	23451	18860	23491	33999	33234	28337	36111	36369	31253	23543	29291	38676	29440	31304	36522	41998	38814	33486	35620	37140	39475	34860	36505	31713	24669	32953	35092	32992	31460	48270	40914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
692.6397@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19676	18118	25496	22226	20752	15805	23231	22115	22741	20773	18843	21715	21404	19415	17187	14341	26114	17954	23769	22579	23309	26911	22040	15053	14780	25735	20152	20168	18524	9560	20000	16696	14652	12988	11180	13396	12374	10803	24765	19189	19101	23343	21789	18797	19722	21537	22282	21243	20789	19457	15809	19386	19889	19510	25641	23473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.744597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	65443	50782	77766	56288	41756	53737	37448	38090	44048	32268	60256	37849	40098	44769	30491	28030	28443	23776	15453	22562	1	1	1	19208	56519	1	15965	19117	21857	27110	28720	22524	20931	20932	25108	34067	15610	27930	16371	24278	22322	23296	1	18346	22002	18828	1	22666	20528	25285	17877	22274	14999	25089	50270	25888	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1040.9303@0.8670002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7203	12978	1	10298	16532	18717	7876	7012	9812	8354	1	7160	20551	21495	1	1	6064	6272	11024	10649	7311	1	17508	14064	11473	11313	7575	1	26380	22414	24175	20377	15978	14859	1	1	22362	22249	21325	16524	6144	1	14554	15391	8775	8337	8049	1	6141	1	1	9849	1	6539	8999	10093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ethyl 3-hydroxybutyrate	1	15372	1	1	65413	75981	1	1	1	1	1	1	230842	1	190471	1	1	1	1	1	1	13694	211664	1	1	91048	1	19305	1	13490	1	1	1	11071	1	1	1	1	145112	1	1	236885	1	1	1	19400	1	259532	1	1	1	1	1	1	9233	1	305378	1	56691	177409	148073	169489	66788	186367	146951	168829	152268	153628	144120	121088	172674	143490	158441	169350	189065	163504	158204	65130	165469	91525	68525	89822	101873	176379	223843	190974	50295	152392	162837	166455	29311	177388	158672	53437	249915	215968	230571	226342	206483	216032	233658	208949	226842	183842	229498	230190	229836	228432	205133	233799	232274	255332	22208	208406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419994 :13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11353	12631	9725	17246	13674	10850	14410	16709	15282	14997	10707	14883	9642	10665	14179	15454	19810	17290	15604	6770	1	1	1	1	1	1	12454	14955	11986	11871	12962	13622	17661	17448	11276	18152	21930	19393	18016	22419	23250	21559	22621	19800	20535	21961	14800	18790	11172	10303	17667	17551	20761	18729	22782	22734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
932.8188@0.838921	28471	34338	32509	35380	38461	44198	36241	35801	38174	35280	41985	39583	38218	36352	38416	35682	28606	32249	35213	36842	37597	39075	32330	29964	44008	44870	42548	38368	35548	34703	29736	32225	30753	39331	32788	27342	31551	30714	38045	38457	32649	35908	31314	30642	32607	28129	35745	32184	24275	25608	39592	38181	44178	46390	27302	31156	37231	40037	19655	17279	16905	23768	11810	11402	23093	20716	21379	22523	22664	21183	1	11815	30330	31706	38487	35375	25652	9347	7082	6132	9470	11979	11563	11453	19153	22706	9721	14402	10388	11929	17593	14559	11234	9227	9288	9701	13208	15304	38715	39895	15697	18590	33084	26997	30424	25127	32980	38212	29936	32865	31575	32608	35781	27650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
225.033@0.8390003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6209	8110	21043	17581	1	1	7663	1	8883	8043	30853	31952	1	6480	10802	9281	8845	1	1	1	13136	13099	16341	15962	9706	8737	36681	35538	22839	25821	35712	38329	9120	12090	37852	38996	28940	30065	9094	8721	23536	24417	1	6551	11314	9897	12913	15392	7850	1	8586	1	14364	10043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
918.823@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17699	15044	18813	16636	28023	23645	16158	17665	16779	13555	13497	15546	28275	26079	30608	28884	38369	32585	19422	1	7814	10970	22305	23602	18870	19783	15811	14707	29903	27750	25112	23845	26508	28054	11261	13572	27278	29671	27456	27276	32936	29684	27300	28138	32320	28444	24796	29507	28234	33007	27383	31253	28123	27835	39680	30288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.0326@1.243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16358	17742	1	1	46173	48558	1	1	1	1	1	1	27123	26699	10122	1	1	1	15776	10326	1	19202	27738	31812	34923	33407	1	1	1	1	39000	39827	25051	23343	1	1	1	39754	45295	48329	18996	15781	54433	56482	18102	17217	17150	15548	1	1	18672	19482	20401	20682	24265	20560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
788.8414@0.8420947	16111	26726	22195	16861	29729	24608	18796	23136	25533	16496	24763	21989	19017	19603	29496	19616	27276	19491	20924	19243	21232	24904	14242	24809	20000	19303	24742	21229	20231	18672	30231	32154	32106	33176	35168	26627	35712	33329	32377	29098	26804	31403	26786	33387	28316	26974	33844	26165	32148	31548	30783	29160	32307	31790	36160	36802	33890	34427	11781	12501	12200	11434	1	1	10505	12082	13805	14714	14151	13506	1	1	14524	14262	25693	24042	15523	6726	1	1	1	7782	1	1	10877	10181	1	11181	8465	1	1	1	1	8685	8378	1	9007	1	21287	16119	1	1	11174	13156	14174	9450	26392	24439	12945	11196	16480	15894	17961	12268	19175	16028	21503	18422	17257	15801	21875	21077	19470	18545	20764	19878	22075	19568	17437	16639	18988	22224	16963	19398	22276	20286	21858	19036	20267	17288	16131	21630	16909	19373	18130	20155	19214	17578	16130	20925	20282	21524	20865	19328	17253	18764	18884	19894	15258	18663	18751	18042	20060	16565	16446	17574	14353	15874	15193	16362	20328	22926	13149	16401	19880	18847	22526	19921	19492	19488	18316	18809	17644	16062	18212	18211	16159	14976	19598	14946	17223	17205	17302	14643	21016	17189	18904	17078	19711	19650	14360	17334	22369	20350	18677	17713	18304	18753	19233	21094
858.8259@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10265	11378	12564	11208	14343	15350	10050	9019	11112	10006	9932	9733	8640	9854	17642	16504	16683	13232	13900	1	1	1	9786	11601	11646	11985	6541	11657	1	1	1	9624	1	8995	11433	17029	12224	12617	21399	15079	19196	17853	20323	17845	16384	17253	19369	18886	14919	13570	20730	18595	18381	17108	27732	22542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
556.9362@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12396	13363	1	1	1	1	1	1	21188	20347	16140	18186	21395	1	1	1	1	1	14554	12637	12554	12300	1	1	21203	19503	18345	20146	16789	19308	1	1	19318	18868	19041	17242	21790	21708	14974	16236	13215	17889	1	17459	20426	1	16348	1	15506	19204	24620	16628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Nabam nullnullnull 1.0273259	23005	18063	11302	12280	12985	12356	9396	9928	10717	8903	14687	12303	30089	17247	26076	18560	56759	15277	23257	15081	22044	27172	9711	9211	19431	10799	12390	10249	8770	7650	30620	37083	39575	40041	47627	46961	35076	37053	51930	50659	35071	23118	48499	49859	31823	31804	59635	55446	39633	41613	29574	34756	105040	88107	46311	36349	70504	66586	38726	46140	36647	31683	16156	24914	15590	19077	36965	33336	25858	29772	27309	24936	53019	36850	43881	36341	40279	51498	42409	42824	38623	27525	43761	37720	35346	31139	12665	7657	23461	22693	28028	15563	67428	45666	39451	14633	28474	33351	48270	42744	39304	36279	43612	42538	44689	38378	42931	45562	48080	46924	49116	46491	1	32850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.0222@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12192	10720	1	1	1	1	1	1	21236	18745	1	1	1	1	1	1	1	1	13893	12140	10696	10435	1	1	22921	22189	14613	13216	14832	13687	1	1	13832	15381	13046	13089	1	1	9302	8550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
902.8528@0.83793044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6425	1	1	1	1	1	1	1	1	25779	25535	23033	24261	28512	24542	27900	24755	21780	21552	24803	24678	28313	28540	28862	27236	22270	22930	32231	33191	28964	27011	26856	25341	34274	34530	25267	23645	11535	22416	18456	28563	22778	22228	25725	27769	26051	25714	19961	26857	28732	29667	43506	38903	53348	50727	28447	11148	13345	13971	25082	22828	21275	24488	18145	20960	23469	24168	21859	25663	26295	26518	15754	19034	25066	30796	26182	32448	46376	53123	29319	27390	36565	41170	37683	40522	50515	50598	34814	40134	46679	48890	40997	38142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1220.7256@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18632	11428	19263	18077	12453	11881	16994	17076	20734	21847	18418	17597	8768	7950	25154	28239	27552	25473	18477	8359	1	1	7617	8344	13099	13298	16531	18618	8838	12537	11049	12932	16731	14029	19602	19536	17005	14399	17597	21481	31198	23488	21715	18032	27014	29677	21408	24310	23463	22187	25338	23312	22876	25820	30725	27003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isokobusone nullnullnull 11.557682	552721	466254	208313	280168	206866	195802	174273	120789	374737	247341	347910	381068	778159	331938	626352	335810	2354129	479607	660105	347789	429791	562081	164519	170906	412793	214365	252781	162940	173489	120281	102666	69897	113864	108704	95955	100567	97645	114497	116923	124485	112893	103365	121962	106967	143470	152274	151449	118117	115995	107412	122766	127626	210408	170068	117206	137743	157372	183237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43758	44006	34507	45269	34709	41742	64761	61803	1	60209	44729	34871	38358	29178	32680	18405	40479	32851	50727	30523	60718	50680	65994	53194	42529	68849	54968	50381	70191	60018	54848	44726	124181	65179	50078	49484	73331	59635	58870	57052	326816	65702	56778	65754	58322	67525	55459	67308	46362	56266	80683	34731	53080	65652	83686	43967	76653	63875	57618	39300	52881	42039	67962	67437	64053	62228	35454	65743	28295	47555	38877	71258	55807	75609	69417	36531	73839	71153	71112	59660	61656	68981	58954	49577	68485	74405	56397	64174	76099	56443	69766	66307	118616	137642	119474	70922	64739	105850	114218	36868	150854	96490	63004	58028	68826	101081	104420	114866	123854	116686	99771	76204	128828	91180	109714	117364	109404	112748	115366	94744	126856	78290	77877	127757	128889	69704	119797	75917	158131	106363	97442	125400	108095	90021	164780	61625	115383	101634
> limit nullnullnull 0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15686	18200	19798	17365	15135	19092	15950	15589	17666	18278	12982	15178	20493	20138	14335	11856	17726	15651	11215	9761	8277	10937	13418	12637	18083	18229	12627	12128	13753	17178	22311	22995	20714	21341	11664	10625	18421	21623	15188	18869	15104	17466	16973	16669	17159	14940	18741	15202	10029	10250	18918	12607	19471	16199	13045	14297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
971.702@0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20451	16737	20596	22110	25105	19639	16693	22484	22390	23387	12536	10853	17167	23788	11096	11655	19024	11533	12773	16272	14647	18854	17115	11759	20040	20076	15046	18112	20383	14981	17254	15885	18023	22268	8334	1	18013	16744	15268	21717	18970	15318	21695	17721	18507	15954	22052	13155	15441	11981	18679	18978	23872	17336	20504	27898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
338.0201@1.2515002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11003	12028	14320	13512	19171	16842	12647	9858	14555	14398	12766	11569	29204	29498	11079	8828	9479	8271	7583	7874	8266	8923	12242	15522	12929	13933	6894	8368	20134	17659	14055	13529	15178	13016	11080	11910	22522	23343	15683	17290	11353	9935	15250	15952	12464	10860	12943	14100	9297	9266	13145	11446	10203	10247	14295	17579	17417	14026	14692	14460	15970	16716	15689	19239	14674	14112	16243	15580	15394	13075	16556	15663	16424	16523	17377	16250	15705	18379	16241	18700	16153	19400	14184	15303	16487	18229	15407	13912	14169	15417	12790	12094	15902	16257	14610	14623	15893	16969	14574	12457	18452	20303	18638	17306	13809	15890	1	1	1	1	1	1	1	1	6411	1	6107	1	1	1	1	1	1	1	1	1	1	1	7187	7159	1	1	1	1	7813	6044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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675.6696@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33418	28800	30330	35431	27388	30491	36990	35580	37664	42680	36733	27209	25578	36820	13561	18617	32289	27709	36323	39999	41524	36380	31622	30757	32387	29309	28038	32216	20645	21601	20344	24703	20079	23502	18419	17883	23508	24399	25806	23480	32946	33788	29612	28216	22910	21998	25788	29460	29001	33035	26950	30244	30822	26559	29541	26031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.86666083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11994	8161	14104	9238	8888	8976	14933	13861	15368	13400	17042	15756	1	7115	7053	7890	14406	14512	16202	17550	16800	12076	1	5633	7010	7582	14996	12925	1	1	1	6166	1	1	6365	6049	1	6414	7110	1	12240	15330	11494	6879	13150	9018	9338	12202	13216	16530	7866	10832	12165	12327	11806	9977	16817	17819	21608	20102	12141	10785	18176	16795	18198	20062	19247	19161	19448	19564	19147	19696	17216	20003	17982	17742	18423	17510	21089	18715	17420	18182	21154	23532	20290	19581	18918	21542	17695	17778	21431	20299	20542	20277	21072	20804	10462	10214	19007	20156	11167	11459	16779	18144	20922	21286	7284	6689	9436	8439	6955	8297	13792	14143	7778	7587	7283	9313	12777	14647	9684	7795	7946	8288	9036	10392	6753	6922	1	6874	8843	8634	7718	6284	8071	8581	9828	9336	7623	6984	9524	9458	8834	7967	17595	14376	7681	7646	6651	7483	7895	7878
<none> nullnullnull 0.8440005 :14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89603	95963	85957	84383	104019	106283	76935	72959	74681	81003	69627	66264	93383	94793	63906	63420	68631	69293	72866	52284	58801	68409	76806	74452	89001	90816	59936	59285	68086	59731	79773	86408	85674	82344	78025	74832	91190	97929	99563	98609	77266	77041	107999	106366	95718	95994	90591	91736	55826	56946	92993	92272	80092	82668	88025	96544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20291	21723	20676	19315	28945	28158	21173	18441	20338	20011	12762	14833	28728	25356	12484	8610	18954	17117	20508	21186	14835	16528	19243	18783	24243	26062	13505	14364	30748	22557	20295	25103	24392	29922	13010	12264	19861	30582	20566	25303	19567	21122	22013	20544	22805	19656	18607	18352	13039	16461	19547	13459	20004	14221	21322	25956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9328@0.7818273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7187	1	1	1	1	1	31691	29261	36266	28300	25092	33784	30368	36088	33392	32949	34598	38599	1	1	1	29154	32480	30870	1	27114	1	32910	39346	35904	33345	33482	26027	28792	35206	32341	1	26656	26972	38655	23525	32295	1	1	1	25950	34751	1	24939	1	33574	22607	1	25387	1	30608	7034	25870	1	27294	10136	1	7514	1	1	7413	1	1	1	1	1	1	1	25419	4154	1	1	1	1	1	5793	13653	1	5703	10126	1	1	6278	26125	1	4670	5965	1	1	27331	27018	1	8725	44025	49605	1	42488	1	6822	7582	4958	27003	25696	1	28950	1	1	1	1	1	29602	3933	1	1	28559	1	42754	28064	12065	51549	24342	49804	7932	41781	44139	28405	42336	38483	30595	1	25706	34217	37922	1	39449	1	33666	1	1
1062.29@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13677	12991	12927	13265	14262	11024	15824	19339	14209	18452	15213	17709	7690	10376	23561	19675	22006	27773	18979	1	7280	7357	8131	9675	9161	11724	17188	15824	10595	11090	9385	13109	12939	15132	15154	21566	16965	18960	17289	20316	25040	24644	18145	18451	21179	20886	24493	24096	28039	24328	22313	24402	27032	21145	28788	23766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1139.9357@0.86300015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9207	7888	9111	7970	13300	14899	6736	6325	6684	10429	1	6965	17339	20511	1	1	9007	1	7599	1	1	5790	16023	10949	12107	12434	7978	1	25287	23371	18862	20157	15912	17629	1	1	18359	20404	14015	16285	6253	6782	11741	11087	9007	1	6373	6271	1	6644	7167	6714	6406	5804	7832	7157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.8829@0.88400006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9128	9111	11477	9837	25844	29860	1	1	1	1	10346	7127	31427	29489	1	1	10316	1	9088	1	9270	1	20587	23421	22221	21316	11431	9972	24671	28933	26982	30492	32114	34760	14229	17368	34380	36663	38659	37682	1	1	28100	30130	10729	9922	14898	11413	13253	12170	13112	11092	12736	13632	17490	15912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
882.475@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10234	14365	11947	11513	6415	9123	18429	16460	19857	20196	14967	20564	6674	5426	7166	9217	16076	16764	14182	16934	14253	11692	8344	8537	9585	8337	15296	18216	7292	1	6703	1	8399	1	6048	7115	5620	6659	6264	5860	15666	13046	6774	6562	12749	13748	14833	10676	20105	18473	14159	13969	14305	12943	14255	15153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Carboxy-cis,cis-muconate nullnullnull 0.9391074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39440	37754	33508	33633	31093	28890	34014	32382	32741	37570	33052	32594	34297	35472	39850	36060	44311	48955	48727	56466	38472	42207	23533	25417	35979	34578	27140	34182	20111	21556	20317	28854	32583	33682	61474	40458	37360	38400	38960	36619	45986	45717	42071	38894	44545	47120	49223	47097	54486	55385	42029	38916	32830	37949	40041	48253	27153	27412	33854	41781	36403	38154	32537	36842	35703	25558	37519	26248	29295	23515	37680	25316	36956	28100	23494	21786	29254	28385	35683	29947	42673	26060	28819	40803	45518	27901	26438	27077	28245	40260	38378	32746	33864	32132	29698	29063	25246	25339	26089	29960	23673	27391	46842	22852	43793	31319	21533	21836	21955	20564	20609	20055	21879	25247	15873	19361	21263	22592	19716	22411	27783	24027	23560	20786	24010	26116	20828	22367	24762	34274	23986	25383	18798	21762	26798	26556	24027	27846	25419	22345	25107	20568	22870	21966	22868	19997	23004	22104	14908	16932	23823	21079
C20 H16 N O22	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6963	7213	9659	9900	9279	8978	10642	10601	1	1	1	1	10746	11469	1	1	12564	12657	8284	1	1	1	1	1	1	1	1	1	14600	15248	13474	12091	11090	10141	1	1	13602	12350	9870	9016	15856	16860	1	1	8948	7341	10594	10040	1	1	1	1	18728	17983	14997	14112	1	1	1	1	1	1	8789	9162	1	1	7966	8187	1	1	1	1	1	1	7366	8729	1	1	1	1	7092	6860	1	1	7712	7165	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9447	9563	1	1	1	1	1	1	5904	6525	1	6331	7648	8419	15642	16363	1	1	10983	11148	1	1	9377	7391	1	1	11653	11020	14458	15066	6291	6102	10243	10801	15279	15266	6348	1	11762	12003	1	5863	9781	10118	9148	9340	10101	11626	10621	6872	12291	11822
1033.2444@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10222	14254	12603	15721	14494	17216	15291	16285	19003	18494	15371	12386	16291	17300	11392	11749	18346	17940	12258	10819	8082	8830	12521	9308	9753	16421	14217	15523	15290	17006	18450	19363	23384	13980	12653	16048	19574	24925	22460	21861	18289	18849	21833	27299	15722	20157	19887	17762	18073	20512	16461	21165	18816	16303	20156	18479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
89.0173@1.1150007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40933	39357	51017	46848	105512	104784	55997	54837	32013	24795	31469	37846	180935	177984	20537	18887	41732	41135	86589	61218	75467	76359	65453	109143	106090	118928	67915	64595	219147	141017	122002	73142	144971	85576	19468	31828	143797	141203	137706	141734	81032	80725	144095	143799	73010	76681	81945	86491	35794	32075	50123	43312	39948	31277	99022	71726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.1338@1.5559999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28667	25672	1	1	1	1	1	1	1	1	1	1	1	1	20415	19305	1	1	1	1	1	1	21330	10489	11745	11544	1	1	9710	1	1	1	8667	8556	1	1	23363	21634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.1962@0.9960001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7587	7576	1	1	10985	8913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7355	1	1	8127	8768	1	1	15006	13273	13840	14890	1	1	1	1	9497	8884	10525	10838	11671	11568	16818	16238	1	1	1	1	1	1	13654	14648	10890	12168	10571	7658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N6 O3 nullnullnull 2.4526422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52475	30860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51435	38219	31973	56262	1	1	1	123383	225479	102428	140583	1	53438	1	37205	154175	165262	109927	112257	1	45123	76193	128777	46473	48876	1	1	1	1	29733	1	50001	49918	1	47673	1	1	1	1	1	1	31046	43499	1	1	1	1	1	1	1	1	1	1	43563	1	1	44221	1	1	48219	47308	1	1	28927	1	1	1	1	39109	1	1	1	1	47456	52892	46796	37702	1	1	57775	36624	1	1	1	1	29041	1	32755	28806	73875	68075	28550	29195	77724	65906	55322	79609	50932	67596	1	24123	103076	80667	1	1	72401	54314	109043	110986	54873	50152	53561	45952	127718	134148	17405	1	82409	88800	1	1	53429	53713	33993	34694	45509	49514	111504	106700	81889	63712
670.9502@0.8920001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19188	17895	1	1	1	1	1	1	19725	20750	1	1	1	1	1	1	1	1	14480	13419	12077	10419	1	1	19009	17596	19376	18051	15525	17550	1	1	20378	20452	19350	16272	1	1	12293	14527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 N2 O7 S2 nullnullnull 0.80699956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37843	34135	30458	1	27637	28000	29601	29386	37569	36772	28884	30144	27061	28446	1	151646	49084	45363	44974	31721	19981	21874	15387	1	23534	24681	28601	29078	24361	25609	28900	23081	28245	32245	1	18826	33216	31775	31466	33537	44626	43689	34162	31347	75305	37925	41989	44079	53643	58107	28775	32140	41680	96948	75700	54065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
457.9168@0.8499915	20820	17533	21294	19181	24417	18265	22251	21551	22000	19495	22964	23049	25656	20979	18697	19311	18118	20697	20082	20456	17797	22621	19172	16978	21603	22286	23795	19249	16998	18252	33225	37013	36664	43336	38285	36915	39840	38844	36909	36529	33030	36970	36093	38304	34709	35049	36607	35420	37177	42794	30368	26860	38623	35052	42903	40258	40108	40373	23714	26647	21503	20034	15993	14454	25701	24021	24664	25644	24765	23861	12421	11841	17729	14783	23351	24087	28044	28275	21845	20994	13004	13529	15554	14891	22527	20132	10583	12176	11100	12041	9987	9771	7069	8802	12584	11514	11532	13668	23286	22631	14347	9721	17845	19070	18522	18977	29147	24134	18629	18438	24718	25363	22871	19305	27113	25673	28914	31389	22386	23404	27805	31078	28983	29303	28899	27098	28981	27411	28404	26429	30185	31047	27048	28956	29789	28514	32729	30617	28028	29753	33236	30393	29775	27774	34386	32954	30826	28714	32904	33216	30527	32382	31878	33650	20929	22095	32801	30755	26285	25211	30630	29710	30929	32133	18660	19023	20120	21666	18090	18345	30957	30065	18192	15548	21630	23713	27318	31192	22650	22446	21255	22189	22283	22079	19410	18974	15511	14897	25658	21490	19170	18378	17541	18790	21481	22453	18078	18461	23512	21628	21668	18323	35935	32298	18768	21022	15495	19362	18224	17999
C17 H23 N8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12543	9018	12003	7703	16931	16226	11298	7587	12738	9438	15317	9802	17734	10833	13264	11543	12550	14395	9961	11764	26921	20874	28597	30609	40768	20460	18767	13704	11484	10326	13607	11610	20441	16252	11591	16723	32812	22613	29318	15516	23916	15096	40004	27830	16586	16164	31433	25323	15729	15283	34316	20142	16931	13078	134299	19570	10434	13632	8237	8135	13317	12648	9520	9359	8909	7150	7862	13636	8720	8407	11606	13212	9846	10999	17492	17435	8871	9911	10379	8572	11947	11785	11898	11685	12244	12709	8725	8329	8715	8055	7253	1	7906	12969	11431	9599	17585	19546	6939	12605	14126	13016	14636	11121	8756	9296	27848	33114	35561	31827	32333	26696	22434	20319	24816	16883	60687	64192	19402	16532	18307	21537	33152	30775	18816	15176	22524	19774	22796	15484	20351	15994	18000	19504	20205	16616	18674	25777	27593	15995	17810	21020	74739	19847	14963	19577	27209	18860	51015	48750	32516	18840
> limit nullnullnull 0.84400016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7789	1	6190	7266	1	1	6539	7734	6766	7900	1	1	12138	10551	11136	10908	8675	7855	7232	1	1	1	1	6136	1	1	1	7272	19497	18097	12381	11716	8421	8582	8628	9654	9360	6398	5935	5822	11953	9512	8637	11899	9084	10769	11130	12109	9654	7246	10953	9287	10239	10154	1	10183	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
209.9851@1.2509997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7686	8117	8809	8199	13739	13445	7423	6522	8758	9871	1	9019	25129	25509	1	1	1	8036	1	1	1	1	14952	14144	14080	11887	1	1	18686	16111	14232	17154	17055	19706	1	7476	23891	24499	17907	21286	8048	6628	17232	14985	8267	9157	11170	11246	6486	1	9644	12581	8088	8498	13628	10861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 N2 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	149446	141133	153821	156083	100881	111527	191354	185509	185009	194276	181848	177574	66723	64976	104323	94882	164542	164262	191517	244996	214309	210707	97451	91357	118059	112011	176003	174468	39369	39891	54554	53725	61119	58791	80614	70714	58280	56434	78423	77454	152089	153433	86909	83587	129069	9373	138115	135721	182393	178036	131990	127905	150074	148467	144231	150339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> null 1.1001065	1	1	1	1	25697	27067	1	1	1	1	1	1	8670	7661	8405	8700	1	1	1	1	1	1	1	1	6920	1	1	1	1	1	74861	75386	1	1	9754	8352	7947	1	247693	246340	1	1	1	1	1	1	1	1	1	1	14046	10364	1	1	1	1	13438	14162	35535	37104	65930	69729	39105	45510	55788	51654	47081	40353	33618	35547	1	17362	34149	21897	59393	57316	23935	20815	23813	28816	16933	13877	28267	20413	20217	23997	17997	17538	10790	12237	17184	21068	36552	21975	15843	17726	15912	17475	31835	35812	17728	16329	15478	12133	24222	18740	20030	17079	26722	26408	16998	13331	17724	49373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9772@3.3037555	24880	1	1	110233	1	61035	1	20252	1	1	21495	1	1	1	1	1	30890	63104	1	1	31056	1	164366	83953	1	1	1	1	1	199066	1	1	1	1	91299	39179	1	1	1	1	21360	109236	1	6841	1	1	85173	1	1	1	1	1	1	1	33436	50780	1	1	1	1	1	1	45547	1	1	1	1	1	38417	1	27317	1	1	1	1	20825	1	24728	65558	1	1	1	156478	103186	1	1	1	1	19548	1	1	1	1	1	1	1	13646	33694	119703	1	15587	1	1	1	1	1	24085	1	53636	131023	1	1	67255	1	17382	1	18299	14948	1	1	1	1	1	1	1	61438	1	1	20142	1	1	36169	1	1	1	59379	1	1	30181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40522	1	1	1	1	33117	19711	1	1	11668	1	28830	1	7801	1	1	1	1	1	1	1	1	1	1	1	1	1	55710	1	24234	12779	1	1	1	1	1	1	1	1	1	27934	76135	21971	27964	123340	1
871.7667@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23013	27714	24656	19937	16104	15919	23462	26814	16922	14853	15911	14904	17072	16439	12106	10128	17776	16941	20660	18084	16363	15732	14938	15659	18257	20725	16503	10085	28182	21606	26367	27925	17738	23276	14073	15875	29234	32795	27749	26107	19721	21659	19349	27147	21350	26685	20035	24976	14205	11924	16657	21785	26440	20623	28061	27922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40591	38748	40650	43108	41003	40141	41245	39714	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33265	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1022.9759@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18330	17496	1	1	1	1	1	1	17231	19469	1	1	1	1	1	1	1	1	17554	15055	12051	11816	1	1	23906	22160	19040	21351	18907	17992	1	1	22113	21843	14818	16703	1	1	11008	13158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
646.7709@0.85900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14161	18538	15682	11141	14397	19632	14102	8477	17176	18133	11470	10964	20261	20238	6635	1	10891	10690	15588	11956	14000	14813	15444	14200	16510	19301	14916	11516	19708	14563	10779	17399	16097	14465	8958	1	13494	12707	12737	12369	11087	12936	9741	15028	13497	12471	12497	10616	10087	9478	10676	12691	11705	10579	14499	15756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	37654	40650	43108	41003	40141	41245	39714	32682	37439	36429	35321	34039	30989	36056	32651	20233	25584	29105	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dihydroconiferyl alcohol nullnullnull 6.247188	258013	216298	101321	75818	126913	81889	78529	87093	99095	87994	163812	116472	199764	246561	389233	251467	409982	184349	247851	135784	263573	159505	87993	78922	98233	65203	75780	139404	64683	93558	131617	186626	180460	187953	111531	124033	186442	176147	170041	189604	264648	245193	162729	174289	134237	116033	128669	178760	62572	48539	173201	213426	253201	288788	34492	38989	236687	204539	8738	134393	202803	251966	111769	9115	156644	171040	76945	76523	144480	178328	135914	107479	287289	297747	187778	186235	16139	176042	310657	325309	570148	382887	343219	326558	253252	243651	6685	99593	135198	139694	132094	128640	245515	269064	223526	12179	280981	239062	310798	288713	284431	298547	12903	207104	331468	266725	76438	137133	449243	441578	175575	15708	197796	291795	1	328314	259759	248621	344895	349447	240069	241025	1	1	205692	1	129452	1	1	1	150260	154536	1	1	335576	1	1	1	1	1	97778	1	1	106981	268000	1	131700	1	79544	1	224934	241489	1	171417	518709	493902	148801	130995	1	256471	119568	116753	190220	1	1	1	77014	74631	187988	187635	86410	81211	168995	142102	1	185136	245228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87838	129638	132774	174696	1	1	71768	1	1	53344	1	105371	73100	1	1	1	114946
C22 H7 Cl2 N2 O11 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17188	19143	22052	20606	16106	17533	19876	19901	18910	19926	17356	18193	13669	15587	15555	10755	15133	14948	24232	18605	16532	16256	11794	13963	16082	19842	14052	12256	13293	12224	15394	17944	13216	15981	15066	12774	20168	15697	18611	17994	20354	16637	20460	21551	16697	21147	18852	22790	9804	11690	17267	19832	22432	20025	20699	20136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C38 H81 N7 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17796	21114	18200	19151	25678	28671	12097	19030	20022	23533	15984	15426	20938	19417	13140	11868	15562	12875	20227	21797	23367	20275	21911	18313	27247	26324	13928	14620	16714	12031	18697	20611	19586	17191	12721	14060	17882	20652	21855	20206	15693	17697	25004	21627	17285	20777	20695	19943	14518	14129	21803	20138	20535	17326	28059	23324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :16	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36110	37186	34444	36463	26009	19072	33384	34721	37589	40663	27358	30571	20614	20803	22672	28142	37096	37762	38398	17938	16959	17740	15203	13810	22294	28867	26230	31523	24129	19067	23283	19060	23950	18839	21687	20190	25875	28784	25360	19919	41643	34308	27248	29482	28047	32897	38760	35849	32803	28379	32615	38471	35077	33689	38365	35523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
378.9569@0.8927934	10608	11144	11809	12713	1	6531	12808	15136	11223	12502	6672	7905	9264	9549	7131	1	14175	10773	9028	9857	1	1	12393	12611	8760	10130	7125	7680	11658	11406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10779	9828	1	1	13338	12870	10677	9899	8193	9752	15438	16542	8198	6967	9530	9280	1	1	20904	18541	1	1	1	1	7717	7147	1	1	10686	11996	11298	11397	1	1	18071	18033	14703	13973	17963	14461	1	1	18564	16750	12411	13654	1	1	14550	13419	8064	9114	7949	7942	6910	1	8033	1	7747	1	12728	9334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
974.2992@0.8450002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11861	16259	15713	13559	10315	7550	14778	13242	13858	14288	14166	17654	8430	9735	18741	17288	25756	21704	18302	6968	1	1	1	7109	9118	10178	14312	15992	8925	12003	8811	11849	15852	10277	10402	12588	11299	11183	14915	15423	19955	21882	17762	16076	16132	19296	16887	16735	23687	23203	18937	17343	19136	20105	17519	19645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H71 N4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14752	16096	17338	18652	13866	12643	19662	20869	20982	20448	20210	18633	11629	7229	13915	11541	19851	22390	17269	20614	16591	18064	8285	9899	13501	12809	17549	21025	8296	7334	7873	8012	10459	10784	13957	10165	11567	12647	13234	14811	16605	22902	15653	14594	15940	16927	18778	19900	19839	21061	16252	16383	18336	18618	22604	20851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
640.808@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8676	1	1	15174	16507	9431	1	9844	1	7701	1	21916	20506	1	1	1	1	7783	8904	1	1	15354	16999	11988	15484	6290	6405	26435	20332	19209	19472	17550	18293	8071	1	21671	16384	13185	13589	1	6427	14016	13902	1	9266	9019	1	1	1	1	7670	6754	1	9400	9208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H29 N O19 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34627	31332	72696	8988	63747	32165	54013	64413	47509	43710	49767	41337	39941	39281	27595	1	18506	30636	17182	27822	10032	1	29516	35879	20678	1	1	25662	33575	1	1	1	1	1	26296	1	17974	1	30127	14359	1	26781	1	30192	21015	1	19723	36279	19580	32256	23850	1	1	1	30626	19137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
594.7216@0.8716998	14396	11407	9961	12469	10358	11580	11322	9610	15347	11810	12666	13843	12879	13715	9406	11551	10293	12969	11218	14975	9827	9676	8663	9912	14538	12266	12657	12165	10094	10084	10485	8295	12854	12556	11427	11232	9958	11025	12726	1	12368	11748	11634	9113	10755	10919	12127	10462	10088	8266	1	1	10412	10553	1	8057	14094	1	14074	11393	15057	14947	8544	8565	14325	18396	13640	16801	16858	18596	13865	14331	11989	10556	14611	19286	17946	12222	1	11979	7891	8700	12343	13351	14840	14563	11196	14673	11263	12403	11876	12831	6472	7643	13637	16463	14402	10298	14790	15308	12545	13708	14355	15777	13611	16535	19349	21330	13788	12564	18181	18401	18494	11920	11279	8508	1	11756	7688	8876	9481	13567	9505	8499	7969	9366	14131	10423	13056	12906	10700	15880	14071	13123	11486	14393	13261	13315	12025	14349	9846	10016	13089	8738	1	10555	13750	11506	8221	11062	8933	12688	9002	13497	1	7409	11480	1	8458	7496	13426	10936	9592	10760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 Cl2 N3 O S	9619	8780	8666	25293	10762	1	21844	20416	25292	23667	23009	21413	21682	9414	7281	21691	27203	10758	23573	21865	10101	8595	24311	22547	14246	4946	22316	21450	23681	1	8459	17400	7625	1	6717	8870	1	13507	8452	13581	8177	9809	24287	11047	1	5865	1	8376	11554	1	10970	8780	6366	5290	9667	9217	17465	10890	33182	36112	32680	28271	12453	27815	45924	43654	34778	41594	32277	31929	29025	21869	38919	34343	43171	47430	31147	27930	20020	18801	6565	31319	18194	29008	32309	32505	24982	27608	12479	27640	28936	14912	42536	42961	35669	34888	38921	35801	46238	50886	45656	36485	43681	35756	33971	31919	53366	47391	51208	30320	32476	32991	38420	37083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
671.7126@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21853	33635	27065	22125	35164	35068	25002	22913	25515	23908	23823	14132	34099	44066	14014	12553	25749	23233	25537	35334	30393	30317	34588	24366	32869	32776	18385	18323	41428	42204	34737	36499	28982	33252	16904	19213	36323	35440	31437	29487	18844	23914	28211	26848	20269	19760	23760	24513	19637	19681	23070	18381	26343	26056	28299	29529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.898993 :17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29632	46446	265014	138425	125622	110161	120082	136625	218783	126115	118302	32876	121783	124003	75192	67464	20989	183386	37882	53698	45313	37672	61711	71915	19437	1	36590	164165	44488	68578	64073	61271	52279	50815	72401	158401	49555	1	60944	141630	55164	35151	44180	52790	61485	1	41079	63776	89630	73893	57112	50187	183863	61882	85095	68302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1091.7588@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25339	25265	23297	21536	17780	19106	27315	23119	27477	24294	23815	19839	14325	13074	32344	33896	30170	35372	23473	11973	11274	11611	9607	13199	14869	13089	21720	19398	1	14397	12710	17316	19621	19012	25552	30306	23940	27562	26123	28120	38987	38197	30841	28895	39963	37419	30440	38565	32912	30457	38119	36160	36358	38428	41910	40052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4R-hydroxy-octanoic acid nullnullnull 6.628808	200105	459636	78369	214756	81230	184517	194959	191027	186636	156668	174454	162125	161281	394302	190662	171457	92481	192610	156777	184745	183682	191421	37809	194970	203668	220061	118873	209754	49366	203860	185319	185643	189948	194892	192295	197557	126559	38400	98054	197892	181912	75403	419501	86541	197473	186083	331361	201821	476514	223718	72146	188909	87770	218375	196748	166566	230144	201684	122877	313516	123392	276253	103308	128866	37142	137549	109084	122072	116008	114525	111879	114545	117054	135648	119424	104665	133144	134501	134420	318675	105909	128074	154677	128061	136949	125484	117232	304440	130084	126435	114960	125951	95477	144609	168927	393637	162790	150575	398345	166449	165755	164285	162327	160133	280072	165915	425903	170262	419105	161633	180079	400698	1	168926	176259	134539	458215	433201	450873	85819	189461	191172	166901	168311	182172	175320	94336	177606	24945	163720	455127	156418	203610	467378	161291	172853	186044	75360	172562	176721	181195	152638	153417	159535	193029	455420	58348	168615	466735	168077	177740	434627	167866	502076	480440	31816	153717	193521	41729	65447	170203	208826	98682	195912	201065	225367	150648	188454	512214	122263	215375	144277	533156	207692	480082	186607	203897	206031	411107	164618	174080	462479	140520	132021	198120	90009	203155	190263	180736	190651	198375	190875	204714	375811	188507	93401	101604	203992	58720	80177	207674	224714	63267	202880	130154	181396	193166	56230	490951	156478
Apigenin 7,4'-diglucuronide nullnullnull 11.302001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	92509	90292	90488	100228	85134	95554	102576	94337	67850	85859	86411	77594	103103	90617	59010	54330	51695	43160	63256	53201	37276	55341	76682	61473	57705	70974	57241	39695	46144	46120	48201	63765	48580	41238	221953	63264	57599	51204	35752	51855	54816	62213	53366	69718	83031	53758	56608	51587	47941	49326	51100	51270	39643	64395	140704	69031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12511	14930	6307	26041	19357	19274	31800	12867	11486	9790	24516	22277	29566	19329	25518	25956	37153	36487	37952	7712	13832	22714	12779	12814	8792	22373	23464	26470	13150	12556	9856	20847	11782	11886	17558	16624	14234	11763	13416	12876	34303	34240	8628	9368	8407	6771	31503	31209	36070	37132	23699	23695	33575	9728	45207	35179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Citric acid nullnullnull 0.89842105	80006	82514	112527	111404	83783	89907	122295	117506	97017	106604	75759	75907	107260	110464	113427	112742	83826	69738	96156	87670	62041	61676	149218	167777	104712	98952	83686	91708	119962	118919	30512	16948	16650	15648	10677	19931	14643	15673	35449	31323	25240	18150	18585	17722	26678	17937	28169	15453	14554	14964	20552	17065	31449	39928	18953	18857	21106	20186	30738	32308	90534	21718	66688	63938	20573	21093	12274	10305	14385	12418	88981	83483	9991	8791	25860	23442	27996	26980	31444	30820	28619	46292	66810	61836	22661	25950	151407	149917	97234	89291	91894	94900	46903	16391	108208	110259	27742	73702	26540	25632	85873	85010	24726	26358	59112	51912	59932	57849	15370	25550	16928	26380	27725	18354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.0635@1.2080001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12814	12343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9862	8592	10021	10771	1	1	8270	11078	9343	11856	7833	7586	1	1	10489	13176	12650	14674	1	1	15656	17815	1	1	7624	1	1	1	1	1	1	1	10184	9119	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H N3 O6 S4	27438	26932	26729	24360	20832	21854	26565	24938	12161	25773	20355	20509	26176	24488	22807	26044	26731	24296	29084	28469	22353	20156	28266	27174	21847	22224	26877	27441	28248	26521	14743	13900	14637	12581	11393	13560	13198	13851	14247	12681	15129	15830	13712	13109	16704	12343	14194	14258	12355	9865	8341	9177	15423	12042	11710	13218	17593	12364	8014	13031	8215	13440	18026	18148	8305	6779	11991	11285	8671	10242	22858	22530	1	1	6344	8581	6192	1	8476	8389	17554	12439	19237	19337	6998	11586	17150	12690	14985	17714	19098	14693	10390	8350	17833	18399	16763	15592	6821	1	17641	17778	1	8084	9428	11243	6690	6635	12772	6903	7806	8046	9172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.88983023	82943	170496	218052	98774	213541	438244	214755	155019	294226	148865	186242	120455	208200	182350	134325	286450	137694	175057	147555	124035	185648	171079	171859	160449	189324	153793	162180	173041	256792	335236	57986	157418	62039	102137	175202	206758	234885	80943	55914	166950	240432	162194	187466	171409	165624	232777	165613	171891	158382	163370	90388	127332	92507	177938	76732	161039	86988	108372	102985	14812	137021	233459	101710	119614	108833	113800	122123	109596	117342	128446	68174	89235	19545	43197	60242	29625	12752	21177	23311	12709	13819	92823	24730	178957	16518	21545	36669	30498	388510	29486	25358	58631	120311	112111	17157	19982	450472	80679	8943	107451	16050	132840	18547	105619	105366	68791	103229	92390	101872	10741	23881	26381	45682	91941	168999	168400	12807	13591	138085	139798	110368	9081	111454	44839	123837	11621	118701	10250	126700	119416	151430	142878	127841	134966	153025	131297	115127	169728	127852	127006	118026	127605	125087	131400	116377	113373	109772	107419	110780	115436	130097	135358	108366	110809	110004	114534	110200	108490	100194	109006	120330	118541	111770	106650	136179	110168	115208	113279	122010	125488	140660	93136	94526	101623	92089	124702	117118	94484	135233	146503	107946	118603	94142	120020	87362	90230	87308	101691	113427	96600	103416	102081	86452	100557	112253	91735	109769	118895	137935	125529	102475	107548	117335	150603	121206	116271	111146	96811	110353	106347
684.5854@0.8684923	21677	21141	27983	22084	19135	23458	23238	23074	23205	23868	20749	18969	25738	24002	18400	18170	23314	16727	21540	25514	13529	19173	19805	25255	23376	21853	18275	23676	25893	26099	6870	7499	8028	6725	8098	1	11567	7162	8602	11692	6208	9432	7615	12296	9346	6785	8827	8509	1	10380	1	1	13571	9793	8332	7606	10268	9133	16530	13479	19207	17781	15941	19021	19459	16018	16622	18024	11868	13650	8195	12544	9927	9493	13699	15774	18410	13669	16336	17700	10954	11951	13802	17437	13048	14091	7942	8750	11060	10384	9966	9971	11596	14291	10949	11492	14918	12737	13207	18650	15798	16536	17164	17582	16681	14458	11984	11431	14941	13837	17750	16191	17977	16206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37440	36429	35321	34039	30989	35849	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	32149	34635	34609	34107	36979	34362	35690	31550	33114	35240	35674	30633	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
675.7402@0.8627093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23355	10422	10739	9503	29183	25020	16984	15704	14327	14239	17644	12520	18999	25758	8671	7671	12830	15018	16711	14067	11683	17824	16751	21125	21828	14031	13194	11450	26972	29065	18176	14505	26025	16931	13244	12278	17321	17050	19096	19133	9290	11360	16201	23372	8812	14874	12156	18601	14611	13589	8503	12390	9009	11118	17738	17873	18507	12890	18093	19305	11708	11682	19462	14486	16809	17203	15727	15997	18806	17705	15209	18334	21941	23997	15582	14628	15776	13000	19752	15293	11087	12002	22978	17965	15084	17395	20341	20752	14686	16641	21330	18679	16366	18842	16742	18233	12940	9520	12491	21873	10384	13452	12879	15761	20671	16880	1	7799	10812	9299	6900	6001	14730	12797	7270	8948	8313	9894	13926	11482	9192	11069	10209	9548	9200	6071	10051	9417	8708	7592	9424	15837	7082	8519	9264	10729	10153	8491	6873	14926	9615	9636	8558	6682	17101	11660	8313	9509	7703	7921	6348	10402
1132.2576@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13687	12983	17435	16744	12130	8388	19070	15697	22581	19326	15997	21500	6970	11019	18340	22031	22746	24509	17599	11401	7819	7950	1	1	8958	9201	15154	20735	12527	9168	11029	11094	10968	12375	16467	16750	16144	12227	18126	20375	22945	25933	21418	18316	22906	20448	24815	24162	26515	22060	24355	24773	27619	21132	29645	26184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	211624	89640	102680	72175	102093	88242	71801	104702	84384	160565	111768	95085	250364	176878	68589	40598	49251	96698	58261	62341	84569	71150	83826	162019	203983	66448	55877	100250	46011	44965	59459	66397	66379	90780	60346	58030	64989	61424	62584	64421	73809	94676	23328	47479	133886	69096	46100	70677	49869	55935	152185	74323	60363	61412	35804	77639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83585757	7999	9737	8260	7886	14173	15858	6693	8209	9149	10134	14968	14857	12256	11169	10728	10816	8801	7474	11426	10310	17637	16787	5918	6221	11308	12385	11574	10636	6188	6405	48610	52330	48111	47176	50649	50002	52192	52125	46044	46248	50311	47830	48128	52204	50472	48768	46350	49219	52375	62638	49533	49392	45808	45375	59771	64190	46165	49046	12870	11832	12626	12034	1	1	18002	18408	14366	16598	18124	19049	1	10028	30713	29010	36519	35790	17672	1	1	1	6493	1	1	1	15682	17485	11367	12173	8512	1	9683	10977	1	10521	8636	8591	10974	1	33142	34187	10945	9580	21616	20341	20235	19954	40066	38143	16758	20583	25592	24194	30544	20974	26280	24224	30357	26185	23625	21563	26066	27536	32217	30468	21962	25052	18146	24740	25953	22147	24394	27986	22152	22722	24712	20095	21405	25680	25282	24089	23981	25029	24439	22353	24786	29247	27392	25207	30070	30520	21237	25711	28116	27502	18715	18573	30345	32992	17662	17785	23873	19197	28493	28394	29189	26010	31394	33054	28047	23063	43999	41866	18279	18345	30227	31949	31856	34273	35227	33787	29128	28800	39448	36539	19746	20267	13103	13848	33308	30573	18960	19284	16226	17642	34173	34960	17833	17071	34638	33504	22615	21994	46959	45008	22125	22777	16846	17577	22158	22471
C18 H14 O21 nullnullnull 10.277002 :19	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37440	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	32149	34635	36376	34107	36979	34362	35690	31550	33114	34554	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
616.8919@0.8520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10042	8936	10676	11307	17885	13102	1	7909	7876	8484	10294	11606	20317	23848	9666	8404	11403	12072	9222	1	8372	9179	18155	17350	16089	18545	7323	11877	24612	23279	16714	20365	18351	22541	1	7610	21621	20398	18257	18865	9187	1	15257	16008	14130	12754	15658	11089	12513	11080	14030	10390	14967	10712	15955	15121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C48 H94 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8045	7611	8196	11991	13466	15377	6738	1	10577	10291	7202	8991	22367	26857	1	6788	8970	1	7134	16265	14999	11114	11475	18566	13372	14629	9577	9176	21829	22373	16725	17302	18224	15587	7000	1	15634	12536	15856	13546	1	6830	7743	11060	10725	10710	1	9790	7262	1	1	6795	9619	6774	10838	8000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
145.11@1.2490003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6765	6511	1	1	14580	13736	1	5981	8649	6941	1	1	15918	13644	1	1	6207	7282	6877	6336	7518	1	9478	7586	14756	14415	1	1	20680	18844	12269	13326	9660	13196	1	1	14145	13190	13427	16305	7653	6068	10887	11970	8501	9287	9178	7177	1	1	6905	6609	1	1	1	7903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17619	15189	16322	16526	13574	15857	16003	13727	18162	17876	16323	14068	11146	13609	6024	7322	10737	16076	14384	10489	9749	11148	9325	8543	11146	14654	11716	14719	16588	11583	11644	17923	15979	13380	12571	8052	11081	20764	15564	13731	10067	12817	12697	12073	16705	13467	13193	13547	7505	10441	13936	15281	18227	13237	13749	17523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.3203@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8986	11275	10633	12184	15739	13169	8337	7123	10847	9884	11102	14463	12814	13636	14046	12111	11343	13372	10160	1	1	1	11329	12091	8906	12773	9861	12436	9912	14310	20254	11586	19788	16105	19543	16036	19261	16696	21035	22562	12803	14422	22356	18772	15672	16052	17561	18495	13489	13360	15385	12763	16581	16127	19767	15908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1081.5573@0.8836242	16861	18286	9757	14195	18244	13135	11132	16980	15477	20669	12463	13818	13130	16173	9286	1	23984	16550	18027	16288	13556	10838	12804	9952	12495	16105	9661	14272	12437	11962	16686	17269	24657	27629	18659	22812	22295	25186	17703	14088	19038	18521	13456	13400	1	1	15276	11151	15838	15060	1	1	11209	11767	24496	22378	27092	28432	15938	17878	12750	11467	15075	15795	16653	18230	16963	12911	10946	10797	18848	18570	8256	8864	22279	23021	18126	17156	11183	12033	9849	12329	13646	15212	10405	11914	14189	19831	11263	12864	17802	14867	1	1	9965	9901	16757	13695	16941	19077	13936	11226	11995	16993	18381	18293	21004	22425	13391	13726	17880	19133	21583	21979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
430.0801@10.587002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27129	37409	35309	34783	44550	40661	31521	17679	33032	43166	42697	35879	38214	15120	1	1	1	1	1	1	1	1	18225	1	1	1	1	1	1	1	1	1	1	1	1	15639	1	14131	17934	1	1	1	1	1	1	1	1	13212	1	1	1	1	1	15825	33172	15756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
723.7176@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35199	43484	35424	29184	33201	44035	39184	40335	39862	39903	20963	35177	33012	37680	20870	18632	32775	33986	29551	41556	35884	30682	21054	28955	40658	37541	28551	29392	50790	42013	32349	28592	33704	42059	25808	22014	30338	32139	28106	39318	34115	29285	38048	32152	29668	32311	30680	34790	24548	33186	26379	26938	31179	26337	38160	40651	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
187.0454@0.94949055	60260	58767	64726	63989	51450	52208	59134	59567	69022	63761	54517	57882	53638	56522	48901	47074	75632	67346	51844	57126	50359	47882	47120	49859	67315	73888	61355	61259	58396	62950	11037	9883	20822	8252	9899	22435	9064	9611	30592	30061	8927	9300	7013	8024	16272	17603	30762	29866	6129	10589	1	1	29748	34330	7577	8758	9138	10747	31972	30859	31126	32952	8568	31567	11665	12480	32238	30935	29434	33545	39371	10274	11271	11889	35451	13021	24188	26782	31307	34169	7982	10133	25928	25052	30437	27808	42063	39040	29389	28734	8175	8303	24764	25552	8971	32054	8552	9953	32489	12954	28394	24312	26703	27915	36558	38212	31110	14474	32415	28107	28435	30090	40836	44256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
898.447@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10631	10926	14821	13435	8963	7879	13614	16112	13899	21880	19451	17791	5815	1	8222	7645	18426	15831	16835	18061	16155	13906	7933	6024	9035	11280	14376	15579	1	1	1	5712	6083	1	6032	6677	7052	1	6863	10206	15765	15147	6344	10761	13230	12689	13864	16943	16293	15875	16426	11819	13727	15850	14661	15756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
352.1559@1.0063999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11102	10326	1	1	1	1	1	1	12882	11508	1	1	1	1	1	1	1	1	15837	13041	8630	11049	1	1	15356	14409	16220	19182	12038	11308	1	1	14885	14439	13065	14063	1	1	18723	16094	1	1	1	1	1	1	6193	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9558	10089	1	1	1	1	1	1	1	1	1	1	1	6273	14955	15969	1	1	7304	1	10029	7260	1	1	10236	8625	1	1	1	1	1	1	1	1	9130	7276	10450	11845
1212.1788@8.077004	16056	17064	1	1	1	1	10482	9900	18297	19782	1	1	11291	11334	13476	13769	9517	9271	11809	12668	9921	12643	11573	13651	9558	9951	23196	24234	17027	15480	22405	22695	20312	17682	24432	22569	23525	22216	25278	26765	24118	22589	19620	18703	22357	22445	22271	23476	12576	12217	1	1	25380	25767	1	1	16296	16701	1	1	1	1	1	1	10022	10821	1	1	1	1	13729	10993	13080	13940	1	1	14667	14637	15689	16408	1	1	1	1	1	1	9776	9766	11190	12393	1	1	1	1	11978	12513	10520	10860	13597	14738	20843	17437	14047	14358	1	1	1	1	10191	9428	10584	9295	1	8751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H2 N O8 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12919	14156	1	1	1	18141	1	1	10882	8268	11982	1	21605	19245	1	1	11389	10052	9116	13649	7410	19078	8626	16988	15559	13085	1	1	13878	14007	1	1	9415	12775	1	1	19024	15204	7704	10257	11977	11715	9062	9886	11866	9595	12344	12409	15812	18592	9225	8806	13717	9883	14996	14453	7400	6706	10667	7839	7322	7480	12663	10546	10134	11157	1	8913	6687	8060	1	1	7453	10266	1	1	1	1	10116	10670	7862	6389	9426	10031	1	1	10712	8625	8029	6874	10082	10090	8861	8708	7294	7237	1	1	8246	9361	7781	8558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1-2)-glucuronide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11183	10756	11789	9497	10784	10784	9136	10273	10703	9509	10310	9262	10843	1	1	8784	11723	8075	1	9488	11560	10576	1	1	1	1	7152	7617	1	1	1	1	1	1	13670	13771	13673	14425	16296	15690	17029	16395	16896	12632	14889	15309	14212	12433	14622	14185	19953	19088	16345	17623	18002	18690	23502	25835	22998	25678	23156	24916	23805	23658	25425	23275	23755	24969	23317	22401	25342	22795	23686	24550	25260	24045	25917	27631	24994	24932	24025	25140	23901	26082	24425	23367	25530	21680	26253	24253	26653	23394	23860	24907	27594	25488	29135	26867	26863	25797	25986	24906	26918	26776	25043	23753	24763	25312	24130	26656	27924	27195	26059	26452	28244	26353	24485	19227	21770	25152	29051	28302	28935	24485	25375	26269	27241	27163	30086	26876	28195	27377	30283	27327	27280	27771	27977	27873	27178	28467	29702	28308	24165	24027	28284	28826	28200	28784	29378	24086	21146	26140
821.7838@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26540	25759	26549	27906	20553	17138	28393	26052	26502	25372	24712	28077	16529	17705	32819	23400	33113	31678	27477	16074	12025	13347	12489	8787	15810	14529	21563	23919	17030	16547	21180	16802	16343	22399	27416	26836	24533	21484	23470	28076	37914	34317	31851	26901	31722	33951	31674	30655	26907	28672	27726	28903	26352	30254	37843	36592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H24 N2 O22 nullnullnull 11.523005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26417	33945	28879	33557	30483	29582	35125	41162	28303	34889	23703	30919	31445	28279	21431	19427	19794	55202	17852	22412	16129	20609	25175	29325	17747	1	20166	21185	21095	20025	19346	1	23123	20948	22377	22048	20437	20798	27629	23821	18734	20349	20931	25643	19862	20544	24871	19884	19948	18548	20652	17403	1	20383	135587	85969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Vinyl acetate nullnullnull 1.2281978	46661	43869	49396	50901	36812	36601	44344	52571	43997	45552	35633	35313	43137	44075	43098	45051	37563	37697	41309	34320	29939	28059	51445	58378	38577	51775	39738	40666	44050	44849	16998	17986	13784	26673	18328	18727	15558	7405	10988	31821	16134	17388	19940	21348	12560	13620	30838	32508	1	1	1	1	16323	20130	1	1	17123	35058	146463	135720	97845	77148	263390	265039	237010	237668	124074	119129	91497	88876	179910	185463	87796	85585	124548	125571	148600	152108	196899	199446	206742	190307	240231	246596	136161	140920	259860	278436	273083	319797	185577	190335	61779	65809	252877	262222	269900	276941	170186	169252	350825	336105	127264	124463	120826	116318	127803	137418	111806	110053	88292	83817	146021	148314	58309	60883	53924	52854	65577	64273	57952	58142	40395	44380	63338	59641	51533	56331	63258	70839	52428	49668	67702	68747	35478	72572	42681	62158	57741	65976	53863	52970	58820	50721	46608	43017	66480	64340	92513	91152	61906	63021	85415	91773	76646	77280	58217	60061	83161	79599	60042	65532	88606	95074	137931	133052	113119	112186	116551	115032	79743	91232	161720	180817	101632	99593	160109	166843	98086	100563	122603	115232	105999	110314	173365	175885	125961	132641	109325	114907	287469	269804	152812	155418	110361	117240	132106	127878	110467	108670	156740	153587	87354	89826	151076	144610	205245	222564	172250	177323
C18 H14 O21 nullnullnull 10.277002 :20	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46425	46667	44520	45165	48959	44881	45575	47437	44716	37234	41989	38277	41198	39644	35686	41386	37603	21926	29590	32182	34890	35834	38390	37472	36969	35748	64132	38751	37688	38698	43185	38269	39986	36863	33432	40184	39131	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.7755@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9131	1	11129	6267	14354	13790	8756	1	7267	5782	6203	7325	15059	15439	1	1	7519	6022	9159	12219	9243	10988	14383	13179	12106	13600	6726	7122	15246	12906	12700	16295	10811	14909	1	1	13047	13666	11610	9177	6818	1	9003	9541	1	7156	6917	6680	1	1	7340	1	7715	1	1	6180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120580	131144	119925	139860	83222	102333	154384	144900	151937	160955	156862	143764	51997	65921	99247	96904	133177	124282	148671	158851	136846	139803	68148	72551	90707	86954	120084	132838	37537	38060	50809	62967	39921	48694	90883	70511	73780	69505	15133	86648	135984	139650	88755	92500	119541	119758	130862	127937	139068	130934	120584	122363	130539	135708	136366	126808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1006.3168@0.8428404	1	1	1	1	9598	9464	8862	7615	1	7799	12891	8343	11076	8456	7579	7534	9152	1	8341	9662	9645	9160	7395	1	9091	9960	9339	9422	1	1	20080	19280	21138	19014	20099	17945	19107	20178	20612	19289	17446	17323	16664	17750	17845	17099	19979	20012	18210	18588	17445	16743	22882	23603	20025	20826	20251	20298	9572	8359	7486	11210	8518	1	12348	10463	12009	9926	11455	11559	1	1	13387	13956	16956	18092	15336	1	1	1	1	1	1	1	7649	11787	1	1	1	8324	1	13787	7006	12250	11508	7989	11425	12114	19639	14880	12339	12591	17180	12706	13965	13585	22592	22242	15130	13315	14223	15515	16728	14161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
804.9146@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17473	16162	22382	21650	41981	39421	12029	12448	13378	11620	22150	19546	48303	44067	21812	17605	18730	14604	12522	1	1	8298	30314	32452	27906	34382	18689	18537	48078	40424	50329	45450	49643	51394	25387	33249	59409	53611	30158	30479	20758	19463	54059	51538	24900	30886	28331	27259	22962	23308	33478	31139	29237	25696	36523	30636	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
639.6123@0.8602573	8427	11300	20847	9941	7470	15007	20261	10368	17822	12107	15167	12834	12219	19795	14607	16647	20236	12633	14918	9726	10978	12499	12490	7063	13092	14571	15263	8329	15595	16045	19145	20399	23446	17692	22489	23578	21294	18765	20160	17720	20280	19602	18457	19535	14009	18005	19196	17760	19373	19263	10168	7426	17463	17554	23580	22520	20039	19976	8842	10915	15079	10956	18167	19951	12269	11910	13476	16450	14740	10602	16107	14086	6173	7388	10125	10604	13952	14114	12561	16034	15389	16590	14791	18699	11797	11607	14239	13466	15230	15839	14760	16593	13797	10076	16730	14961	18015	19525	13574	8223	18286	15447	12361	13365	12798	10589	8865	9801	14149	13117	6344	12109	14232	14597	9981	8265	13187	11766	8310	6215	9877	11307	9245	12810	8649	10771	9552	10407	10348	8407	10745	10095	9886	10186	11247	10554	12295	11472	9787	9816	10002	9116	10080	11597	13526	12868	8824	11116	13851	10923	11321	13925	11811	10673	6046	1	14045	11455	8176	1	10163	7707	13113	12376	1	1	6063	6426	1	1	8103	8128	1	1	6063	1	7744	9449	1	6960	6412	1	1	7527	1	1	1	1	1	1	1	1	1	1	5980	1	1	1	7025	6879	6057	1	10963	10401	1	1	1	1	1	1
208.0129@1.5330002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32409	31423	1	1	1	1	1	1	15956	1	1	1	1	1	1	1	1	1	18013	1	27599	28479	1	1	33410	31575	24849	26617	1	1	1	1	26613	24360	21764	23836	1	1	30665	30983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C18 H14 O21 nullnullnull 10.277002 :21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44151	48722	43188	44894	42803	45107	43628	40763	41629	46395	43482	41948	43237	41439	34802	40071	37991	38802	61361	32700	37675	34929	20323	27566	31736	34871	34338	34652	34908	33293	32633	33654	35401	36219	35989	40653	35639	37968	35015	35277	36689	38105	31368	34387	36994	37657	30603	35841	40760	41216	34466	39842	37131	36557	754343	43816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H7 N O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14333	13875	10508	9605	11772	13429	8630	10927	11493	11680	10213	10720	14637	13613	16930	16112	12372	14650	12382	13633	13112	15506	18877	14707	19233	16819	12438	12802	16493	14840	16227	16935	16622	16253	20626	14797	17211	16641	14656	16205	9825	8684	12187	12813	13197	14325	14184	10965	9575	9258	12634	11630	13015	12852	14569	15737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.673@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13013	18703	15178	17947	13901	15351	16053	18169	18478	18106	10631	14067	12831	7893	10181	7327	19218	17940	15176	14738	17953	14202	14087	9449	15022	14098	12278	14849	9271	11635	11835	13998	12378	14776	8640	1	13512	15304	13685	13801	14899	19736	16050	11846	14078	15147	17090	17401	19065	20287	14732	14404	17250	16812	15692	18462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
464.1698@1.0703428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9044	6099	1	1	1	1	1	1	15488	12766	1	1	1	1	1	1	1	1	11376	6991	10532	10894	1	1	1	1	1	1	12579	12577	1	1	12129	10057	16785	15317	1	1	1	1	1	1	12704	9479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13770	14384	16500	13967	1	1	1	1	1	1	1	1	8542	7811	19762	18999	1	1	1	1	36769	35009	1	1	27713	25682	1	1	17419	9043	1	1	13538	10319	1	7486	23810	18520
p-Aminobenzamidine nullnullnull 13.395003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24520	39775	42083	18577	61746	34770	31907	61910	28677	52021	37620	53296	68222	27866	21450	9308	71648	14988	10638	17289	39602	43263	20349	50985	114286	99073	59232	10240	345867	20430	13757	56743	19854	21798	15258	22702	54105	13706	48046	20872	43930	11224	150174	29185	18414	26378	191228	173375	19343	41919	23954	35649	12275	13274	221097	13344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C18 H14 O21 nullnullnull 10.277002 :22	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	41246	43108	41003	40141	41245	69770	32682	37783	35469	35321	34039	30989	35849	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34905	34107	36979	34362	35690	31550	33265	35240	35674	31601	32023	34149	35503	29303	32231	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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912.9308@0.8899997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136921	189430	162318	234523	140046	163367	149916	144373	152170	142295	148189	160125	171430	132795	128037	181107	70120	229267	163885	88928	243454	149211	180968	106982	170391	220240	125329	165970	199068	207337	861064	170901	181878	163361	157160	135004	135220	125300	560294	138607	162032	138215	162949	153910	147943	157461	139497	130625	144748	122442	128953	129668	143357	289742	226131	126375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
359.0469@0.9301764	23366	21358	28777	30280	19095	18429	36045	36168	35396	35006	21665	20171	31466	26888	22334	22443	33330	31527	25623	25638	13602	15369	40526	39095	24271	27639	18846	18023	29709	28716	26233	26743	29077	32643	27950	28486	37288	32839	15639	15652	31774	28439	12709	13862	6476	1	9707	9348	21064	21981	9499	10265	13849	15477	45515	43432	31197	33291	12661	11794	6103	5819	8071	7763	9474	12596	12053	12376	6346	6621	1	1	1	1	19499	16868	22196	21201	5776	1	1	1	1	6827	1	1	1	1	1	1	1	1	1	1	1	1	7058	6539	9850	10609	6535	1	6106	7076	7025	8001	19134	17268	1	1	9842	10398	14621	13011	9745	8667	16994	16976	17927	16103	18846	18405	13297	13174	9073	11820	10926	10636	6165	5644	13637	14702	6049	11156	6187	6971	16144	18030	10817	10553	17312	18269	7464	6613	24130	23893	12959	12199	22619	21772	20027	19828	13651	12892	1	1	11364	11271	15457	16398	7659	8393	8600	9241	1	1	1	1	1	1	10479	10820	1	1	5646	6252	1	1	1	1	1	1	1	1	7178	8014	6568	6405	6424	6613	19031	18230	8935	8634	1	1	1	1	1	1	11919	9483	1	1	7015	5631	110150	112477	1	1
355.0374@0.9613964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10804	11099	1	1	1	1	1	1	10335	10055	1	1	1	1	1	1	1	1	1	9188	7880	9539	1	1	19040	20649	15906	15282	9277	9956	1	1	11752	11597	11891	13057	1	1	12087	11701	1	1	1	1	1	1	1	1	1	1	1	1	6709	6443	6497	1	6189	7097	12719	11545	1	1	13374	10782	1	1	14691	16139	1	1	14166	12752	8553	9372	9963	6982	15233	13777	17507	15057	12334	14676	1	1	1	1	1	1	13970	13991	1	6603	14065	12288	1	1	8979	11010	6237	13651	6553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8323	8634	9133	1	1	1	1	1	8211	1	1	1	8435	1	1	1	1	1	1	1	1	1	1	8469	1
460.2025@13.375536	10749	9409	10350	11835	11588	9305	7784	1	11099	10215	10015	7502	12344	1	8588	9247	11570	1	7252	1	7805	9069	1	9520	16490	15206	13215	12782	12330	10620	9938	1	10362	10000	10133	8016	10814	9937	16812	13210	10396	10671	10952	1	10566	10281	16432	12112	11625	12772	10295	15101	18085	13859	12776	13456	13915	14168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11058	1	17457	13500	10583	1	1	1	1	1	1	1	1	1	1	10934	14015	10139	10199	10869	10860	12635	16284	10368	11750	9901	20816	12585	10573	10351	14628	11486	11353	10832	19234	12607	14410	16662	16427	16238	18466	16824	17805	18147	18468	15123	14282	15089	16591	17297	16326	20915	14427	17411	20779	17657	17471	17072	14982	17977	20558	15508	18404	20220	18850	17910	16555	16283	16882	17933	16440	16755	16148	17415	16863	16962	19630	17796	14331	15667	20863	18714	16828	17446	16234	13051	20907	23344	24796	22106	22512	20821	20123	19940	22252	20981	21377	26904	20968	20915	19545	20640	19047	20057	20843	16686	17082	18387	25722	16110	20920	18927	21994	18679	22528	17097	21245	22122	22706	20446	21614	21476	27043	19921	20832	23520	22293	19691	23697	28394	25301	21236
168.0773@5.878001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15917	8378	22571	7096	15482	19588	32026	11808	10485	19737	1	1	1	1	8837	8658	13103	15528	1	1	1	1	28555	23574	22210	17978	34434	36522	43298	29174	1	43989	6970	11851	117570	1	20195	12436	77678	25694	1	1	29749	1	1	1	1	1	1	1	1	1	81015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
861.6611@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18122	23220	19691	18985	32070	27748	22359	24072	10137	23527	18717	17017	28118	35307	8844	9964	14100	13785	16070	25896	20797	19796	27011	27146	26328	28137	13711	15866	35193	31187	22835	21390	30738	24648	10598	10461	24703	26629	23618	20005	16361	22853	17487	23306	16034	20594	19791	14878	20428	16052	13116	12304	15136	20482	18267	18958	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.109@6.821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	174562	1	1	1	1	1	1	1	54975	1	1	57236	1	36875	1	1	77256	1	1	61365	1	1	79893	1	49019	1	1	1	1	1	1	1	1	31251	1	20280	251387	180722	81509	245326	261548	168090	67031	1	1	59218	21810	1	1	115670	88030	38059	200256	1	1	1	37348	1	1	57776	61107	1	24357	1	1	62636	44049	1	1	18288	31087	45956	59789	27481	29120	49018	74368	26199	31962	43200	42468	26033	1	40212	44692	16373	30430	18460	79737	36494	41731	1	31739	42033	1	1	28383	1	13111	78931	23999	42926	1	1	26646	1	103422	1	1	1	1	1	30604	1	1	1	1	48211	1	44383	150903	96829	169105	280487	100317	102739	291736	76712	83235	44449	96201	52795	57100	1	77838	39327	1	50594	36411	72277	56593	65055	64997	1	90896	1	1	51531	63792	1	307299
674.8861@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24959	27618	27535	30015	43822	38653	22826	26261	27095	26118	22717	25563	49195	43218	42175	43948	37779	34007	24801	11362	1	11128	27702	32289	35155	34271	20631	24590	38331	39781	38962	39708	50529	48912	38719	41228	56279	53977	56436	55506	39313	42812	48904	53048	43866	42259	42246	39426	35277	28757	45165	47438	41042	42006	61956	50111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
113.0214@0.92900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13803	13501	12918	12896	16746	15059	14974	13216	14563	16753	12374	13040	17619	17086	11103	9569	18135	15246	14856	15865	10544	12349	8281	8778	13569	10689	13172	10963	14287	13217	11764	14369	12371	12576	1	8698	17886	16250	15804	20219	17936	17762	17087	20037	10418	10071	14655	15865	15034	18355	10067	11448	12916	13451	23694	17706	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H16 N2 O17 nullnullnull 1.5630007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91676	89228	42696	43198	85259	82611	42276	40478	29824	29906	25154	24725	130447	133636	44788	46185	19456	39244	50879	48083	38686	19027	83816	81431	114898	124169	1	1	109434	111125	100244	99694	110259	101758	1	25322	63965	66932	132741	134832	40130	38824	71156	70245	43137	43380	38708	39502	14196	13635	75076	75330	64737	63517	52848	46309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
249.0999@7.5459995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13420	11720	1	1	1	1	1	1	1	1	17595	16151	20060	16108	1	1	19355	18776	11704	13597	11632	11413	1	1	19163	17011	19144	22285	1	1	13695	14732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H35 N21 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8251	10735	8430	10036	13643	11645	7789	10457	10674	10229	7736	8354	7492	10540	1	5846	10152	7389	9397	1	6526	6032	7455	7299	8685	8343	7124	7873	12547	8718	12123	12601	9066	6209	8511	6231	10665	11100	7810	9096	7117	7276	10843	13801	8349	7967	10316	9081	1	6936	9928	10762	10003	7535	6847	9843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.3151@13.667797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7895	45192	31230	31721	9016	20777	25524	57302	634946	214951	108083	36011	29159	7214	1	17566	1	12249	29688	9859	32773	51765	29779	16850	36512	10390	79816	47447	30619	23718	12329	53445	100044	41423	55302	26110	26357	55320	18120	45415	470966	14287	30917	47668	48619	29147	53378	45376	53003	48626	50797	41929	32571	42604	33428	59230	67205	55067	31011	32937	56321	63841	51636	27072	25607	32640	56150	48092	51334	40834	45448	34580	33769	48926	52326	22832	38825	40025	45182	70064	45169	42504	36732	62989	52287	24783	26327	35681	45734	65652	43044	31521	50484	95268	91784	56752	84351	90822	79838	85379	66824	112057	22513	46065	260241	51336	55909	92916	80344	98807	156473	99771	54329	273173	51931	103691	23758	44073	52246	88571	46087	92554	181526	90196	596323	68999	39300	29696	132132	83354	196548	70828	48589	38064	110114	67848	84848	48365
> limit nullnullnull 11.747992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35952	42149	36842	44109	49017	30203	40329	25628	38362	29878	298837	43577	30256	21005	22679	28934	23424	22711	1	1	29867	249216	47129	22090	25598	26713	22739	24633	22835	21618	22125	15910	1	17135	161805	27023	26702	28935	25564	21937	22117	36129	135603	87665	25740	33831	23277	21150	23233	78996	24570	1	24895	41875	26043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
729.632@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22823	19502	17774	25817	27363	28747	25308	15658	18214	19171	19490	17017	29891	31743	12370	7453	12690	16074	21539	23522	27028	24579	29941	25987	25988	28768	21048	15951	21480	26609	20101	20874	24817	27646	15645	13088	21032	20581	24874	24502	13675	20847	27176	20381	16813	21969	23036	16663	14031	15286	14062	16097	14529	18255	19907	19264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
307.8335@0.86299944	26831	26091	27143	26596	23095	22976	24852	21032	30705	33040	22502	21560	21858	26408	21332	21223	25819	25908	23308	20395	14491	18209	22987	31780	20965	26315	24039	22062	18438	25419	14851	15426	14402	19332	16290	15750	17354	18852	23806	19290	13488	19197	14787	17553	15078	14130	18604	15135	17846	16511	8702	7434	13857	19545	17343	19708	19091	18630	11774	9620	14489	11980	18383	16529	11050	13163	11530	11752	12474	11335	16227	16677	6298	5791	11474	8672	10763	15089	19883	16230	16719	16715	17499	16254	11000	10029	10912	12323	13340	11405	14524	15942	10029	7403	14459	16341	13376	11939	8210	9213	16456	13672	10999	10906	13638	11537	7254	6714	10374	10573	11592	9430	12174	13084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :23	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	29105	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33114	34717	35026	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.7782@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14807	12049	18797	13332	11033	14211	22842	21876	16531	17735	20708	20536	22776	18578	11126	10416	20702	14827	14447	22517	10873	14723	17464	16860	11070	9888	14093	21688	18080	12189	13021	11653	9881	17389	6016	1	16768	9308	13951	9691	23078	21940	14491	6171	12206	17778	21169	13798	24527	27825	16868	12738	18349	17384	10358	18328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
730.8144@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32533	33390	26617	34106	37666	35379	34103	29303	27890	33984	22750	26023	33278	32373	28395	25584	32489	31519	30638	22845	22635	19694	34929	26425	30921	36324	24036	22856	30818	31525	31664	35654	30813	35953	24763	31504	41549	34725	43443	37099	28449	29131	39718	35630	35562	38992	34058	32752	27305	27119	36412	32678	31953	32160	41939	38196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
557.6072@0.8632657	20550	22073	18026	22202	19532	22450	21674	21605	14081	21073	23857	25779	21350	24228	24080	18791	24524	20703	18478	15704	16010	21248	18467	17924	17054	21234	20915	21631	20212	17372	33556	30936	34265	36896	37186	35077	39965	40944	32102	35472	29460	29382	35824	34435	28499	29391	30450	29147	37329	39503	16497	18426	33652	31670	45691	50776	24825	27774	10490	8311	9536	10856	1	1	12176	11604	11062	13342	14485	11042	7932	1	10668	9199	17040	13016	10376	7638	1	8226	1	1	7162	8398	13060	11180	1	1	1	1	9282	8635	6660	8978	7033	10015	10971	10337	16037	14327	10754	11611	10708	11050	12362	12375	18600	12953	11622	12980	10611	11756	12524	14085	12715	12363	17483	16056	7413	8397	13305	14295	17463	19541	13828	15318	12775	12143	12267	12029	13573	13621	10543	11404	11898	11798	14276	13670	13935	12360	12532	12648	13902	12006	16975	16759	13316	13485	20858	17890	13038	14681	17785	17588	6968	6958	15656	18057	6240	6649	12189	11239	18563	18692	6679	6281	7066	8286	5616	6616	15784	15741	1	6149	8200	7465	15121	15069	8935	8516	7764	5752	8706	9729	6902	5516	1	1	9033	7722	1	1	1	6009	7668	8158	1	6006	8652	8636	5984	1	18398	20588	6692	6271	6326	6111	7140	1
859.9986@0.89200014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15794	15935	1	1	1	1	1	1	13582	12341	1	1	1	1	1	1	1	1	10276	11344	9874	11717	1	1	10228	9078	11598	10546	10639	10706	1	1	12593	13761	12837	13900	1	1	13001	12355	6856	8186	1	1	1	1	1	1	1	1	6154	7552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
939.7396@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13197	10417	11554	14705	17807	19591	13550	8952	11516	13069	8898	9303	14956	20337	9089	11345	9813	9471	12096	11964	7528	8258	11289	10255	15701	15218	9479	11479	18347	19725	20134	23123	20451	17706	15861	17454	22434	21394	23169	20859	1	12473	22236	17848	14592	10018	9851	11979	13601	9062	9423	11652	11909	8759	13178	13641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
377.9102@0.85153204	90930	94690	89311	88942	108004	85666	87187	76771	106698	102295	100284	109275	105052	99769	85857	84132	103125	99194	93074	89522	84770	91052	71259	87344	102011	107851	88331	90384	78345	77132	116209	117193	133815	128192	123781	133046	130301	132152	116407	107490	124552	131465	109474	112582	95544	90280	100310	112522	106523	110481	87346	87013	112941	117187	149369	139693	139095	133989	45721	43059	44972	45448	31681	31645	57077	56382	58404	53539	55916	51225	33263	33238	39650	38353	55032	58854	58489	63558	42638	46012	24983	26058	26192	29087	50126	48617	31652	33948	27260	29529	24733	26234	28125	23674	28199	30737	27000	29487	47208	47299	29005	29904	38592	39733	39525	42384	58802	56670	35210	37618	47599	47637	47813	45926	89477	72456	87718	97950	83141	71275	81703	79618	90963	92799	91669	90140	91697	90552	85425	90026	83603	81783	90611	87549	89259	92113	83868	97118	91041	91304	81589	97674	89109	88553	89104	85521	93658	94672	99416	95817	95067	97297	92222	93281	70494	68082	90074	92016	80114	79447	83365	92069	83870	81367	47839	55662	53567	56567	48253	47887	74955	74842	51812	51905	63781	55350	74620	75326	57785	64332	61272	57861	56962	58521	50302	51781	51587	50260	58588	55971	47937	48364	60987	48852	61159	68113	57677	53283	58245	64845	59853	66631	81283	81211	51077	62570	46237	52685	60380	59589
280.0323@0.893671	30385	29664	21577	24135	11068	13747	26008	27436	26472	22223	14232	11710	16574	13947	13106	15624	23345	24118	18167	17936	15425	13275	25477	25897	16531	17479	23013	25306	27906	30558	1	1	1	1	1	1	1	1	9980	11761	1	1	1	1	1	1	1	1	1	1	1	1	7848	1	1	1	1	1	1	7966	1	8021	14329	12760	1	1	1	1	1	1	16929	16449	1	1	1	1	1	1	1	1	10680	11912	11586	13831	1	1	20188	22060	14455	15327	15724	17749	1	8823	16488	19762	16241	17590	1	1	13703	15069	1	1	1	1	1	1	11981	10671	11039	10080	11707	1	13380	11119	10153	13043	10972	11155	10774	12281	1	1	13402	12948	13008	14600	15991	14269	11077	12978	17806	23116	14027	12431	8492	10548	13481	10181	14392	14422	17667	14274	1	1	12809	11431	1	1	11326	10155	8561	1	19721	19955	1	1	22858	21500	9168	14020	1	1	14403	15109	10577	12391	15849	15489	1	1	30443	24238	11630	11974	15238	15080	15743	14677	16910	13618	11031	12609	33002	29334	25239	28124	13937	10950	32606	33325	19468	23690	11167	12647	24436	23562	15206	14912	23445	24709	1	1	27995	23446	43019	40629	28973	27854
453.7187@0.86399984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8728	10910	7959	10855	7328	7535	12283	13921	14737	17353	13244	14563	8672	1	7476	6796	12981	12775	10964	18464	11322	12733	5857	9205	10277	5716	13704	10656	5810	1	1	6377	5814	6693	1	5481	1	6041	7587	1	13457	10392	6450	1	7427	9395	10268	8651	16673	17011	8423	10378	10520	9452	7600	8512	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 O4	34061	34780	39178	37309	26451	23779	29446	29790	35844	33589	25992	23831	28570	27871	31422	30341	33448	32981	30214	32859	24001	24219	39040	38732	24736	32517	31958	29909	35044	36984	9617	9984	1	1	1	1	1	1	10253	8163	1	1	1	1	8400	1	9851	10876	1	1	1	1	1	1	1	1	1	7976	12286	13189	12685	12152	13904	13276	9457	1	8870	9111	1	1	23196	21289	1	1	11452	11001	1	8400	13060	13057	17692	15216	15613	15880	1	8839	18333	14681	15875	18152	21730	21984	12440	10554	15653	17602	16745	19247	11031	10725	16972	16486	12398	11870	16122	15662	1	1	12295	14800	13525	13049	15977	15723	1	1	1	1	1	1	1	9397	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7802	11411	9289	11877	10752	9179	7959	30268	24989	9702	10514	15609	15881	8833	9195	10866	10938	1	7549	22589	22186	31739	34029	10535	11340	25497	24639	29921	33103	9335	8634	26389	25552	10242	9335	20255	18884	7370	7574	21125	25673	26527	27072	27087	26649
893.6021@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15992	22817	16635	12391	23176	18714	14529	15232	25069	24077	12070	17518	28604	24214	9610	9747	17493	15112	16411	22659	20794	18560	17274	23616	21105	15165	13206	12330	36271	22907	22324	18359	19429	22998	9062	6632	16675	17539	18142	17413	13536	12622	15056	18538	13283	15682	17314	21306	22741	17065	11498	10344	13590	14219	18970	16009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.1371922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36367	1	74635	98992	1	21312	65978	49855	1	1	54707	56533	113487	85779	165487	150673	70279	84881	74438	105141	159411	176646	136590	158429	283232	252171	147324	149838	160798	109278	110436	169552	131572	99230	84393	98516	186864	171593	226336	257759	172871	151195	232683	220322	178356	140021	239773	167552	96948	50273	264822	268404	117316	196322	202713	155213	1	23747	1	1	1	1	30405	1	1	1	1	1	1	1	1	1	1	1	1	82713	1	1	1	1	1	1	61978	1	1	1	1	1	1	1	1	1	1	76758	1	1	1	109083	1	1	1	1	61073	1	1	76628	1	1	1	1	1	53425	1	1	1	1	1	1	69111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
528.1901@13.375999	9546	8504	1	7494	1	1	1	1	10192	1	1	1	8963	1	1	1	1	1	1	1	1	1	1	1	11288	9608	9139	8130	1	9454	1	9047	10906	8063	9829	8935	9797	9294	13149	12827	8578	7967	8594	9172	9927	8658	13170	10454	10325	10539	12400	13191	17139	11821	11148	13064	13139	13327	1	1	1	1	7475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8082	8603	9840	1	1	1	1	1	1	1	1	1	7783	1	8672	11590	11591	11389	10381	9391	10927	11691	13821	11986	10296	10775	15602	9838	12109	13200	14231	10658	10973	11796	19568	12597	19428	20111	18560	21596	19471	18714	18802	19548	21851	21023	22140	21480	18927	20828	19199	21337	20687	21002	21459	23086	16604	18597	21731	20210	20465	23436	21740	18311	21120	23447	19938	18928	18055	21328	20759	20879	22851	20595	21704	21086	22581	19474	19163	19407	22489	19386	18449	22716	20033	21383	22512	24751	23639	24511	25532	20061	26380	20219	21709	25028	26146	24995	20202	19572	24059	21326	24028	21542	23503	22780	24615	23382	25673	20408	22148	24637	24528	25138	21205	25852	23606	23698	26838	21357	22369	23640	24056	26400	23576	19620	24740	23257	29451	30552	22360	20597
772.786@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49349	50259	47732	46559	63802	73329	41694	37461	44741	36243	27825	27443	58674	59935	45740	46609	36960	44909	47532	32613	25497	31020	26747	36722	44236	51484	31411	28740	67686	67797	85257	83310	82066	85500	90571	90754	102321	105448	101225	91175	50950	43457	97026	89689	63184	60166	58845	60569	31989	28676	61125	59265	52783	51988	86067	67890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.7932@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28789	40382	40160	38123	36569	35561	39038	38597	37094	34518	30734	26885	36770	27103	39448	36907	36085	42460	33297	25923	16265	21714	25230	27015	29407	37257	31024	26629	34098	26952	39193	41484	37851	39672	45506	48090	41029	45099	61714	47883	45919	42581	52493	55002	47563	52314	42955	53707	38434	33222	45215	43198	46604	45574	73230	46597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H Cl3 N3 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91912	86484	91817	91576	39078	36748	115991	121323	119141	115520	113924	108854	18255	16015	89019	90679	129539	135576	128821	112828	70045	76017	19151	22436	37285	33196	103916	103049	11001	14336	17336	18873	17764	17301	45942	40950	18189	18974	31811	30741	115741	115885	42591	37952	81449	85902	87555	86828	146038	148021	85662	86365	99924	104453	104619	99594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1161.238@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15660	14230	15003	11448	14543	10005	17697	16135	21203	17186	19126	20242	9679	9029	17421	17130	20884	21565	18583	9323	6957	9375	1	1	9689	14490	13143	13815	12483	9221	12314	14315	12457	14565	15594	17376	19713	17652	19394	17160	20351	18292	20787	21243	20211	21574	26298	21803	17784	19106	25230	18931	20177	19946	27140	20149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1017.0407@0.89099985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9554	7982	1	1	1	1	1	1	9852	11493	1	1	1	1	1	1	1	1	1	1	7948	1	1	1	22006	25427	14482	16416	9947	8752	1	1	15246	14960	7670	8075	1	1	1	7755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.2511@12.355216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135125	102111	30403	1	123084	1	105558	1	1	1	1	98530	1	1	122270	151980	1	162678	126376	101070	168314	150528	25239	149368	1	149274	147826	152937	151171	33156	174363	169307	83470	1	1081717	1	103775	39271	152333	192416	39952	29158	1	25770	127827	24232	89361	148559	147401	152628	57056	16838	31304	63105	40176	80754	76000	26584	40491	91947	93053	96231	210113	21313	90277	72762	67167	116255	170033	153415	28943	136918	199688	48905	120758	165741	261258	49819	89766	158364	22433	183404	34098	61778	41572	157617	132934	221741	52253	217476	241384	194925	185469	19979	33712	238131	8582	183338	121980	40472	203679	33029	65113	34488	190496	186197	199149	220743	102947	46709	214699	182133	224999	95942	163920	208440	202942	189427	218520	194119	43873	83966	357512	231649	16380	149333	16453	45058	129221	124296	264102	193186
683.6712@0.85900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13140	10670	13639	11174	10059	11472	13877	10255	16091	14233	10195	9441	13559	17546	6486	7607	13299	12980	9782	18422	14065	13068	11970	15566	7741	14371	14879	10539	23166	16041	14082	16672	17754	19058	1	7363	16195	13033	12512	1	9929	14241	7361	12448	7526	9309	10334	11620	11642	12195	7706	12337	11821	10655	11130	12036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
276.9601@0.89100015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7323	1	20371	20314	1	1	7806	7382	1	1	34996	34997	1	1	1	1	1	1	8458	1	23841	22632	17780	16160	1	1	44197	40541	25297	29563	21550	25551	1	1	25210	25814	18477	17501	1	1	13913	13132	1	1	1	8690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
463.7546@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18217	20729	17662	15511	13911	17723	23874	22794	22988	20521	20394	21874	17603	18498	9836	10977	21999	19013	23303	28607	20843	22660	21707	16098	21781	18077	22057	21269	14009	16264	13073	18755	18328	15664	11045	9441	14157	16629	12755	14613	16885	18008	13636	12964	12862	17300	14305	13736	22384	23502	12314	16322	17414	16856	16951	19476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :24	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	37654	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19776	25731	29105	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	36863	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1182.6982@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25171	20175	19484	23404	21954	18265	21079	18758	21492	22460	20385	14189	15806	15934	16084	23127	18694	24961	17736	11999	11718	12689	11663	13956	21251	15836	17281	20343	18900	14300	16588	18842	22332	20285	20028	18084	21523	17379	21297	27191	26084	25450	24864	24259	27134	26365	23691	27842	21432	24824	25065	20748	24343	26875	28820	25382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
366.9943@0.89500034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6170	7303	23871	25661	1	1	1	1	1	1	40054	39349	1	1	1	1	1	1	1	1	25616	25066	14818	17668	1	1	58122	53845	35640	41082	31387	30533	6343	7073	33163	34895	23882	21633	1	1	19685	19942	6986	6879	1	1	1	1	1	1	1	1	8515	8047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
528.7788@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10655	15854	10197	10544	13772	7024	14406	13201	12892	13136	1	8812	14170	8838	1	1	10551	13437	13789	15143	13288	10717	13407	13667	7303	9590	8013	8369	14956	14319	9727	12881	13930	9700	1	1	12367	12702	11063	12180	12285	13557	13235	12439	10609	12231	9524	11601	12749	13310	6851	11080	12358	10364	12121	11917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.0353@1.581798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	160165	154707	109505	104107	519298	526205	148977	147911	130264	133230	24992	73803	291110	325568	53554	51467	1	76076	72280	77725	118414	116610	296236	312925	300061	315152	71930	62003	724315	678562	1	205471	314993	310867	1	52113	495642	495712	334014	342971	121073	114651	438648	481600	108920	101236	100820	97817	81852	80215	110633	117302	100175	97548	1	136780	24742	22611	23573	25663	25901	26589	30535	26591	17439	21021	25296	16932	16481	20148	15866	18900	17024	17001	23571	18514	28331	25605	18711	15348	21607	26949	22223	19109	20156	24983	18421	14180	16509	18380	22017	15614	15102	19733	16403	20773	19929	16527	19432	14796	18579	22050	19113	21740	14503	18973	16627	1	1	1	1	46475	26873	16235	52604	14213	26069	26416	17139	1	1	1	25128	1	1	1	22575	20486	28436	22713	1	1	19200	28977	31225	1	1	1	42368	9423	17385	1	16687	36989	38603	1	24988	20793	28487	47895	21612	1
385.2293@10.183129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8859	7456	1	8080	1	1	21844	18572	9974	9577	18841	9989	11621	8798	1	1	6805	1	12166	14282	9126	8640	1	1	9250	1	14002	11610	13094	10113	10013	1	1	1	11339	1	1	1	18193	18122	13008	10615	8060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11528	13045	23101	22841	43460	43033	8649	8693	1	1	44710	38000	133312	127899	13642	13118	49715	44617	7661	1	126909	117001	1	1	15666	16709	154855	146795	1	1	9061	10825	11484	9180	11571	10691	290184	164055	1	1	141945	119240	238565	335039	80386	74977
693.5015@0.86352974	12450	14528	17740	19822	17211	17581	14220	15750	16195	17942	20743	19529	13093	18948	17069	14480	15474	18207	19602	16151	18638	16577	16721	17446	16844	17905	12231	17710	19196	13948	15995	13362	11547	16276	15039	15633	16377	18828	12423	13444	14248	12835	15907	14881	8364	8700	17388	11858	10212	13212	8044	9424	15901	16914	17441	17839	17270	14027	7118	6565	6895	9666	8418	1	10985	11888	10401	9623	13045	13117	1	1	6402	1	13791	12344	9824	8150	6717	9589	1	1	7145	7056	9776	8614	1	1	1	1	1	1	1	1	7531	1	7262	8113	8540	9596	9559	7484	1	7478	9796	8873	9066	12106	7362	11653	8734	7992	8522	1	6381	8092	10105	7459	7494	1	8812	1	6833	8820	9870	7483	7596	1	1	8116	9204	6361	8686	7340	8478	9197	7143	8193	9164	7707	1	7784	7029	7724	7726	10809	1	6804	9828	9337	9153	8906	7815	1	1	1	7087	1	1	1	7830	6250	7456	7262	1	1	1	1	1	1	6993	6729	1	1	1	1	10611	8280	6421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6234	1	1	1	6154	1	1	1	7481	9916	1	1	1	1	1	6498
228.9909@0.9073093	95245	101193	118994	122118	87494	84607	124637	115930	116930	111535	94857	93700	105006	111345	99730	108350	109435	103166	105596	107977	79710	77226	124400	131537	102793	115967	87650	95116	118682	124689	12436	18573	19221	22082	1	9645	30532	28475	41592	40829	12214	15151	1	6801	13384	15200	24752	23474	1	1	10158	7166	39099	35628	1	1	22703	20096	14783	11250	13728	10872	17227	16581	1	9667	1	1	1	13291	12660	10576	1	1	10306	11436	8904	1	17169	15101	12098	23481	13502	16172	13805	11177	14074	16034	20925	18625	19745	16673	1	1	10813	15172	16755	13581	12832	14720	14701	10889	13784	10503	17105	17375	1	1	13994	14742	12706	13115	16372	10027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H N O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44950	43666	47365	49234	47369	47023	46482	45654	45377	43859	44157	47657	43068	39820	54190	73242	50327	38163	37320	41126	41432	37745	38235	39041	32689	41821	37679	33501	32749	35823	41063	35353	34303	32681	82654	35109	33332	37844	34099	31532	34299	38578	34047	34022	36840	35063	33079	36280	36438	31719	34712	35870	40718	40170	1	44426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
950.7228@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11320	16996	12041	15273	16343	19480	14471	15144	15643	11282	11779	8370	29847	28314	12251	9868	13255	11910	17043	8927	1	9185	19401	16774	22910	19831	9056	11662	29700	32215	25408	27054	26547	24661	23938	17719	29379	30001	26775	23156	13643	14818	26109	29322	16133	19004	15913	14164	11952	12671	16603	19247	16097	16426	15802	19829	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
62.0217@0.9360005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17942	19355	13063	15570	18953	18530	15887	1	16330	19466	14697	14906	21670	19828	17289	13967	19650	17745	1	23571	17641	20809	15812	13778	15080	21151	18077	17798	22470	21781	21109	22386	21933	20035	16469	22140	24567	26369	25560	26661	20575	25238	23171	23954	19691	22614	20978	23914	22243	22263	22661	17703	19516	21135	26289	25470	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0575@3.338459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12324	29197	30307	78937	45034	30658	1	1	1	1	1	1	1	1	1	1	14243	26506	28938	110818	1	1	25045	51041	1	1	15302	61525	1	1	23896	26731	1	1	13955	1	29367	41908	20354	37219	27809	19074	17683	1	24063	15705	24079	22055	19291	30923	19075	32718	22712	23054	31069	31916	33663	32199	33375	32587	18615	35554	40024	33304	28209	27116	49354	46206	28493	24233	29737	37907	34117	24387	28482	33105	17273	16478	16212	24380	29227	37291	34504	19732	1	1	1	1	1	1	12983	63648	10279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62244	56471	1	1	1	1	1	1	1	1	1	22931	1	1	1	1	1	1	1	1	1	1	1	1
9-pentadecen-1-ol nullnullnull 12.166994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33641	92121	99482	123870	31791	95621	43653	67950	1	23591	40198	36741	44106	91492	89364	105113	39945	100750	61249	86618	65118	213554	125901	93361	124529	113824	108334	74230	68651	92480	51665	110553	74288	130579	140133	61804	100554	124775	95867	65527	146583	62860	133367	108531	86065	118985	86428	127680	127147	34553	44906	107780	2137847	58893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.243 :25	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55001	74697	55667	60730	73745	71971	60780	76798	60838	65576	52644	38927	66592	30964	33877	41599	30902	33549	13430	17778	15798	1	1	56892	26919	1	25750	26814	25709	25659	31049	26570	22970	35766	32783	62370	30782	22589	28476	26518	27096	55021	29746	29348	32720	1	22070	30662	32159	22853	21914	32061	28539	40275	26752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0684@4.204001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19713	22154	1	1	1	19609	31055	28717	24968	19335	156652	16672	1	1	1	22041	59057	1	1	17901	1	20344	28794	25319	26238	25163	19931	37520	34972	23563	12972	25722	34552	1	1	42890	52171	16303	62755	17604	102662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.9438@0.8230657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13740	13860	13050	12120	10024	9003	13695	10079	12012	12996	12277	9871	11017	11392	1	1	14143	15260	14771	14226	1	1	1	1	1	7743	13245	12473	9738	8978	9151	9792	11659	11044	1	1	11723	12204	11134	11545	12123	12552	10313	14304	11197	10842	14013	14228	17593	16261	9817	11428	11017	12928	20991	15150	8968	9488	13067	8633	10678	10133	10639	14894	11592	11923	9340	10969	10148	10695	1	1	9078	11918	1	8791	7007	9179	11119	14375	11939	11318	12753	11633	11274	11187	13208	13336	12387	12444	11011	13929	14130	11378	14137	11881	1	1	12979	12495	12783	10984	1	10134	11865	10972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
lanosteryl oleate	1	7180	1	1	1	1	1	1	7471	5643	1	6953	6621	7874	6414	1	1	6773	1	1	1	1	5794	1	1	7226	6422	6954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19211	20913	20180	25575	21725	24644	21101	18373	19639	22775	21474	18781	23440	22416	12939	13117	22479	18853	21720	22666	23813	21227	18785	18803	23914	18493	19335	14678	18376	20718	20076	17655	19929	21290	11990	14866	17302	20308	22548	20667	18323	21453	18633	15511	21525	19196	18898	20484	14901	10716	19063	18326	20255	22460	20774	17702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
307.0809@1.2452428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7248	7117	1	1	12984	15699	9984	9804	1	5729	1	1	14257	11987	1	1	1	1	12141	12652	9438	9108	13677	11076	10711	10969	1	1	20325	21780	16111	15416	13526	10225	1	1	18758	15045	14366	13779	7603	8744	12491	16152	8151	7591	1	6806	1	1	17979	19178	6165	1	1	6366	26437	26455	1	1	20060	19500	1	1	18021	16251	10214	9336	1	1	1	1	8840	11379	1	1	14292	13628	34509	34109	25141	22977	1	1	15819	14293	20385	22393	7879	8154	8753	8928	1	1	12464	12278	11330	10409	10903	11994	9353	10209	1	1	7367	7055	35859	39324	1	1	1	1	1	1	1	1	1	1	1	1	10038	11762	46901	40931	33449	31461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26315	27068	1	1	1	1	1	1	1	1	1	1
165.0815@7.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16230	14453	1	1	1	1	1	1	22260	22449	1	1	1	1	1	1	1	1	32503	35154	42246	40057	1	1	26622	27745	36738	39073	10964	12584	1	1	47072	36039	43206	47513	1	25749	53641	45620	27708	33816	18133	22265	1	10751	29560	38884	29917	30561	41448	30191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
920.6146@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17796	18853	13201	12008	20215	18958	12565	17515	12043	13666	13509	13576	21902	26242	1	7907	9942	15256	18983	17670	16414	14790	21325	21939	21684	18699	12291	10728	18245	18679	22912	22856	22410	19781	6954	1	15980	18742	22523	14035	11333	14259	15348	15140	13918	12422	10231	14021	13175	14997	6623	10533	15931	11989	17034	14851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.0702@1.6070002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9342	8975	1	1	1	1	1	1	8211	9552	1	1	1	1	1	1	1	1	12669	1	1	1	1	1	18039	19540	21103	15240	12087	13000	1	1	20570	19012	9483	11335	1	1	19503	18395	1	1	1	1	1	1	1	1	1	1	10154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H Cl3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9281	20199	15452	16675	13500	14749	1	17732	20434	7853	1	15926	19062	19351	11329	21192	1	8458	28499	17506	15544	19632	12522	15186	12896	14854	20321	22395	15151	16871	15086	16527	17161	18010	17246	15596	15175	17531	16443	15517	28246	12350	16099	16048	19781	23720	25433	25820	1	33435	25772	24357	19870	20295	20268	26816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
408.7621@0.8709999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6544	9261	7220	9572	8885	8723	7484	10840	8284	6006	7301	12331	12560	1	1	1	7694	9721	10464	6217	6396	13617	14191	11557	9262	8306	9375	14763	12250	11991	9740	11514	9788	1	1	9664	9872	7429	9429	7635	1	7281	8335	7607	1	1	1	9752	6059	1	5692	1	6310	1	5693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H7 Cl2 N O S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14871	15658	16057	14667	15574	18834	15986	14840	19231	13538	13906	8331	14788	17794	1	9705	11890	12033	18951	18785	17932	14648	14596	16608	16782	16288	9906	10190	14379	13515	16314	11031	13881	14600	8882	9840	12540	16064	9550	9428	1	9703	14380	8093	10771	11061	8893	9788	14689	13437	10381	11106	13305	9980	16459	15159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H20 N6 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8627	1	1	9827	1	15366	14754	32789	33002	33828	34338	17979	17005	62662	64706	15405	13466	21655	21500	13400	15287	33628	38749	1	1	1	1	66601	67258	7757	9101	56974	55747	17858	21722	14588	16314	18694	18752	12920	12398	14010	15410	10963	10921	14316	13362	14339	12783	13396	16313	12178	12608	12797	10986	10480	10181	11466	12317	11871	10382	15297	13849	15587	16791	9706	10968	1	9365	13774	16346	12958	15455	18441	19533	21692	18609	12205	12449	13798	14992	10904	12136	17377	18996	18345	18915	19616	15045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H2 O17 nullnullnull 0.8349039	794829	791508	750380	749337	1063171	1075283	723704	704154	824210	794703	35308	38906	904871	869683	36378	36493	737875	734837	836614	843928	1073337	1068429	634975	655523	970387	1017462	36712	940335	714374	742498	1758418	1736542	36425	40692	1823146	42735	1835530	1830341	1752326	1741926	42459	1773735	1855658	45149	45639	1879736	41511	1832041	1929294	44016	2008189	20537	1866171	53186	2039453	22572	52960	48843	562909	552552	622398	39443	308012	303058	40087	743244	38382	33051	738199	731781	148243	149209	1199749	1180661	1272751	1239224	840757	397146	254811	288442	133911	42849	232385	274021	662405	42995	34944	116598	213124	208371	225890	223486	639823	673036	300604	297689	424603	416301	1269702	51319	543902	544317	989053	54641	53589	966372	1373196	51928	55416	956332	1054925	1056619	1300375	53121	1322343	1279299	1336066	1316693	1225848	1261258	1257886	1273248	1385988	1387316	1278636	1255970	1311173	1314801	1265048	1246979	1303225	1310125	1270182	1258709	1282028	1288626	1316490	1294096	1288594	1269037	1289018	1284007	1280000	1301213	1358990	1371000	1367602	1351378	1423024	1426129	1337989	1344333	1368379	1375871	1194848	1200178	1442425	1434972	1159006	1164174	1325025	1276160	1337172	1426131	1399970	1411625	1494495	1477338	1364268	1366218	1667921	1686618	1161299	1174229	1466018	1477326	1490290	1495173	1647204	1583064	1495058	1509467	1664230	1677918	1330224	1310244	1040217	1071364	1586512	1566218	1254636	1248338	1186278	1201006	1585495	1577621	1181714	1199800	1582201	1610465	1348689	1326641	1771892	1754625	1370702	1387536	1242473	1227580	1325589	1313081
C30 H5 N S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24185	26206	22677	23896	33986	28334	19087	17406	19117	18786	10170	10975	37963	36777	14438	15386	14642	13644	20844	15798	21823	18576	32808	33321	33984	27130	9673	9371	38322	33354	33948	29188	35742	31232	14911	15921	37602	41803	39655	38870	19319	20141	30483	32054	28362	27701	22827	27379	9570	7776	20658	23762	24522	24210	30664	27189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
624.6384@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18691	19750	18044	19654	19299	23749	18092	17027	18938	17484	13726	12403	13700	15863	11857	11297	13725	13604	15072	17641	16394	21035	18653	15842	19298	19775	14104	15209	12984	12009	15559	13811	16000	17245	15218	15067	15330	17880	20625	23995	16926	17334	19413	21095	17594	17786	22098	18851	11886	14425	16860	15520	20094	17859	21603	21146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,4-Dimethyl-5-hepten-1-ol nullnullnull 8.398995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	273110	274726	248872	274722	234685	205340	164110	249784	261097	222009	278446	309248	218315	262266	226047	126765	115519	289530	103069	207880	297166	336718	484124	349889	321079	331316	228253	469164	110098	207751	378253	258470	273420	267339	277088	357169	374447	391107	361903	318980	358005	370326	219832	180966	371203	385184	418421	387916	378940	518679	342991	385837	699896	313839	3816563	340141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
912.3287@0.84000003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7559	7317	7282	6707	1	1	7664	6203	5697	8039	11146	11385	1	1	15654	15502	18281	13652	9133	1	1	1	1	1	1	1	8227	8673	1	1	1	1	7831	6851	7469	10838	9812	7437	14480	8553	15010	14477	12324	9660	10176	11561	11802	15632	16268	18217	12861	13576	16605	13926	20055	13409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LacCer(d18:0/20:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18614	14503	17620	22023	16762	23154	13219	13949	20482	19276	15175	15450	17273	18166	7652	5895	13828	10333	15626	14887	11587	16223	18078	17980	17140	19628	13900	14671	18069	17377	16472	12064	20279	18152	9937	7844	21079	20300	15941	15624	15601	11222	16758	15168	17103	15052	16401	14413	11307	9802	16893	19263	19906	13849	19106	17208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
622.6286@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14863	15256	16975	19907	13201	17717	15115	15733	16839	15939	16810	13028	13155	12717	9990	9250	17822	18891	15542	12280	14092	15741	12016	10729	14278	16822	11960	14303	13741	10967	14291	16242	14180	16276	15182	12455	12630	13810	16132	13915	15570	15093	21595	20447	16971	15674	21035	17920	13173	12529	19211	18848	15818	14375	19314	19613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8390003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14465	14228	10216	13802	1	1	20610	18493	19952	18290	18538	19168	1	1	26009	28220	33631	31566	17282	1	1	1	1	1	1	1	14748	17161	8545	1	1	9249	8707	9348	8674	7701	9796	10477	12830	8312	33102	33507	9171	10088	19462	17785	19655	19704	35729	29921	23291	21230	24179	25891	29004	23900	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C42 H89 N7 nullnullnull 0.87099975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20857	12915	12662	14784	13211	13365	22668	22503	20436	20538	15067	16315	10918	11991	8141	13656	21393	25673	23834	25377	12198	16094	7969	1	11257	10430	15639	15690	1	1	1	11684	1	13919	1	1	1	11090	12379	10905	15043	21136	10124	9538	15571	12328	16487	19773	29347	25560	11587	12298	14592	19621	20247	18182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
263.9834@0.83898145	156091	153409	161029	167194	165088	159617	151069	147740	151871	152847	155079	161782	161073	158098	162169	159550	152094	144386	150415	146879	149461	152388	137976	148182	169128	177386	162635	156199	152222	157248	163723	163111	171406	166461	165906	157930	167641	159970	171153	169794	167939	165889	167390	169899	170586	175435	172015	184306	176484	182285	178525	182093	202693	192343	186544	177883	185666	197978	97623	93535	100687	107029	81201	82851	106665	111938	109791	112125	109892	107474	59365	10112	149642	139323	147248	150492	114645	75826	65952	68107	51057	59564	65593	72918	104546	109974	53421	53875	71410	77446	75565	74595	59662	121678	95263	92387	105385	108914	158002	161417	129766	135051	140811	151436	155323	151369	169990	167099	149431	148794	158941	155756	220009	166423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
543.8507@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	98777	106875	95013	97194	119992	121787	81748	79854	86378	89022	77345	73141	113824	109494	65871	63174	77580	73479	80276	62157	72375	77763	88286	89712	104792	105562	69236	66016	80360	78280	89869	94837	95265	95254	79761	73090	104290	107862	111478	109832	80795	86724	113750	111024	96613	101787	96017	97815	61028	61848	101454	100761	88465	89960	90798	103722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DG(24:0/24:1(15Z)/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27908	19588	27111	26705	30455	27535	22518	24360	34275	35034	20496	12718	34577	35658	17346	14290	20285	21938	23594	21195	19102	27837	26157	24468	32627	31019	16143	21014	19659	19175	28460	22809	17841	28060	17540	11530	33409	17853	25927	27055	21429	17446	26606	30523	28883	19360	18359	25125	19056	13227	24721	30669	24278	19996	33864	21284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
567.6874@0.8617252	24254	37532	30634	27589	26074	33314	27443	24529	40673	36903	27692	37938	34123	32015	26025	29067	29280	30241	31757	26683	29805	25589	34945	29834	35611	36047	30157	29013	29397	32164	27551	26545	28050	27708	27599	29445	27255	29573	28281	25163	25216	25906	25761	25576	24141	26160	33763	28902	26960	23215	18784	15253	32988	30314	26945	23627	32772	30767	14471	12057	13495	17851	16146	17979	12191	15062	19733	15449	15493	16242	14940	12472	8013	11429	17063	17497	18916	22739	17085	15685	16136	16340	13324	16077	17376	17687	16274	15797	13771	14529	15224	11806	9686	8153	13414	12126	12972	14059	12776	12584	12246	11366	13296	11075	14205	11558	15000	15552	15772	11101	12863	13812	13340	13432	14609	12494	13783	14011	8484	6705	13051	12664	15363	15485	12155	12573	13093	15528	17386	12681	12236	15826	11584	14629	13460	15017	15644	14275	13389	15259	10976	12393	13491	14367	16508	17253	12952	12858	14591	19025	15565	16283	14274	16381	8158	7412	14256	16194	1	7894	10178	14438	16237	15532	6482	9411	7708	8076	1	7161	10442	11033	1	6610	7439	7033	9246	12960	6978	8648	7624	7506	9080	9329	7211	8261	7298	8226	8738	7889	1	1	9071	8277	8428	9978	7383	1	11872	9492	7051	7619	12116	10360	7851	9172	7354	6239	9700	6618
408.9903@0.89473486	22688	22109	26035	31591	18310	18052	27087	24763	24572	24779	20298	17722	22079	23319	20685	19546	25079	22804	20426	19124	15752	16600	24140	25353	21946	22309	16785	19021	27943	27929	1	1	1	1	1	1	1	1	12766	13495	1	1	1	1	9216	10421	1	1	1	1	1	1	1	1	1	1	1	1	11349	10293	11909	11993	20060	21752	10163	9535	11239	12872	11202	10194	20610	20116	1	1	1	1	8613	7951	8388	11167	15096	18551	17941	16524	8824	8084	23124	19310	21609	23600	15444	18780	1	1	19888	20614	17526	16874	1	1	21493	19830	11996	12401	11343	9844	7964	9119	11519	12666	7524	10492	11793	14032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.381914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75480	65893	48607	64075	103028	41603	47275	86000	43782	56113	83545	55955	128736	183908	32406	41382	8638	55057	36947	25531	118088	49823	61387	85790	82970	59033	45010	42653	43741	37577	40800	40954	43551	44038	9156	40596	49783	44555	37244	46510	45880	35246	39144	53870	34935	39929	76543	29598	37187	17770	57053	45204	36781	39569	94343	47943	16542	22385	24067	23379	23402	14146	22906	26996	25339	21870	30573	29371	21486	12812	27294	26026	26475	20536	31346	18951	25755	17519	21196	17906	19012	26823	31891	26424	24306	17580	19358	26310	15489	24496	16984	40264	28093	22696	22916	1	15501	15472	34740	15530	28325	29671	28384	12182	1	25794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43460	45484	47461	25772	20614	22299	37337	64308	53688	59991	61541	61661	23451	22523	15775	22665	17629	75140	15122	1	15144	16859	14670	17787	11626	17045	38656	13395	29509	26944	21699	22020	15744	19807	8977	14883	24924	18334	20334	13572	14077	23090	25959	20948	31420	18997	19449	28207	54019	14682	35571	14707	24014	42486	21796	32090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1042.2792@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14055	9752	13373	14581	8602	1	18223	11022	13992	13832	17095	14433	7304	8354	16199	16303	20582	19709	12584	6827	1	1	1	1	1	11145	12999	13240	8832	8316	1	10946	8541	13861	8783	13975	11088	11470	14433	16421	20869	19961	14665	18599	18770	13621	15536	17634	19155	24685	14960	15572	16151	15095	17723	15567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
291.9783@1.1030003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9276	9294	10217	8863	14831	15510	1	1	7660	1	9064	7782	19374	20493	1	1	1	1	1	1	1	1	12702	11265	8609	10227	1	1	14069	15236	12194	12998	12801	12348	1	1	14429	13958	12232	12371	1	1	13525	14408	9021	9441	13357	12805	1	1	10814	10264	1	1	12357	10478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H27 O20 S nullnullnull 11.075995 :26	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	488816	131940	189104	180160	148329	92193	142777	138269	99544	139687	135045	163828	181511	134039	68656	55188	70084	63346	62637	48147	58765	62444	1	39095	48817	62128	65493	66208	64076	32409	66996	76229	68401	68642	67054	63076	65260	84958	62073	62127	67841	38736	62738	56596	64447	66704	56843	53382	54823	68543	63971	70302	67494	70866	18466	67808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 12.929996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	347773	228199	146024	164126	83365	113771	190666	124128	1	103111	89824	106668	1	67691	662062	224269	129388	132290	116847	91738	1	1	1	1	1	1	108070	151073	134965	1	173922	185479	1	465169	88939	361412	131116	288292	296758	322323	261135	236774	1	304005	165870	201349	1	1	119551	281765	258107	273091	120808	137182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
991.8951@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7460	8637	7174	1	16720	14993	1	1	1	1	1	1	17821	16523	1	1	1	10394	1	1	1	1	16573	13339	15252	17297	1	1	18967	18683	16250	17859	17766	18084	1	1	18104	18343	19487	19003	1	1	15606	14423	9761	10168	9693	7989	1	1	7653	1	1	10170	10430	10384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.9993@1.1839995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6460	7402	6331	11977	11552	1	1	6663	7657	1	1	12811	13039	1	1	7677	7878	1	7009	9617	8676	13309	11841	9797	9058	1	7715	16870	17877	15076	14651	14356	15314	8405	1	14732	14888	9509	10004	1	1	12443	11024	9035	8075	8476	7909	1	1	1	1	1	1	1	9332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.97700036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14649	15299	7176	8232	17368	16480	9300	10436	11050	12371	6619	6740	19170	18500	7378	9288	16131	14907	17557	17906	10474	9688	1	1	14871	14329	10177	9939	12443	13640	12333	12978	17352	15812	10465	13300	14261	15811	17909	19181	12842	12155	15265	13486	10775	13685	13500	14377	15357	12900	9462	9506	14682	15516	17274	18252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1001.5709@0.8660001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14092	10606	15041	16576	12392	16235	18188	22243	21438	16402	15639	17777	22226	13044	6295	7803	21440	20256	16970	21956	18484	17745	14954	13075	19151	16431	16027	14166	16988	15583	18194	18027	13886	16528	1	1	11504	18715	14064	15565	17873	21673	16128	16167	11916	17412	19391	15811	18791	20554	10367	16449	20051	18552	16369	16396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.9001@0.8449999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16007	15079	1	1	6248	1	1	7672	28861	32738	1	1	6962	1	1	1	1	1	13596	13973	12457	1	8231	6975	34753	29885	26166	29565	31263	33953	5954	1	35918	38213	29986	25144	1	1	19105	14798	1	1	1	1	9626	9263	1	1	1	1	1	6855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.2864@0.84500015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9905	9496	12477	8171	1	11815	10914	9645	13144	12156	12789	12365	9479	9350	12665	12555	17280	15782	13462	7611	1	1	1	1	1	9721	12147	13799	1	9608	8452	10519	11441	12502	13405	11889	18899	14836	15344	18790	11668	12703	20654	15637	11586	14636	11378	15338	14208	13665	13541	16025	10632	14519	15718	17681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1263.7057@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13648	17670	15004	19189	14842	14507	18232	14894	19086	18395	12133	16045	11405	11755	23942	19461	21038	24960	17359	9881	1	1	20089	10761	14580	12774	15399	15749	15205	13012	14821	19437	15606	13241	17894	19756	20217	21776	21128	18638	27127	22355	20652	25278	22690	22836	18186	25156	20038	23443	26981	21617	18072	19163	29542	21143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :27	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	37654	40650	43108	41003	40141	41245	39170	32682	37440	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	32891	33239	32058	30746	32149	34635	34609	34107	36979	34362	35690	31550	33265	35240	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
377.997@0.877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15837	14267	1	1	1	1	1	1	22042	24063	1	1	1	1	1	1	1	1	18515	15279	12009	12530	1	1	20244	19717	16896	16478	17920	19995	1	1	17067	15298	16244	18157	1	1	14591	9340	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9419@3.3731873	1	1	55116	8447	1	1	1	1	1	1	29649	1	1	1	22760	19458	1	1	155474	1	1	1	68340	44344	52603	1	71124	1	1	136810	1	26896	56807	1	1	1	1	1	15525	1	1	1	1	1	1	288841	1	18768	1	74817	1	35881	1	10311	1	17717	1	1	49184	22149	1	77278	39897	1	74821	1	99204	103237	20105	1	21968	1	1	1	54629	1	1	110561	1	1	1	88343	173000	126747	1	1	1	131658	1	119535	40174	72680	64116	57045	1	1	52479	1	167560	1	99048	20390	1	97366	1	1	121210	1	58893	1	1	160197	1	1	29150	129240	76123	70180	49688	93323	58279	71599	18071	1	124854	26547	83269	76275	83557	110080	130577	63853	54801	88298	105083	101264	127225	140909	174440	25960	26661	9312	46450	1	103139	238865	55798	20737	1	1	105936	46034	42983	1	27764	1	53988	1	1	39042	14476	37921	24343	258049	23758	143437	136051	1	1	12935	44347	1	136968	146619	1	34394	1	94390	165620	54041	226240	1	15735	1	21637	31464	30262	1	85061	79183	27793	1	32085	1	19719	20570	27039	83378	39966	5037	1	1	90371	1	87345	9523	1	25610	1	70182
128.0084@1.142535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	129095	76525	1	40897	211937	209565	50842	48678	63147	33284	67212	90362	233401	229780	6508	46860	24039	1	15018	55667	11087	48939	146410	133573	98607	62994	43113	9548	608092	599751	196383	230104	272208	272033	1	35058	408968	396220	63711	120056	39429	32522	123677	83074	42348	27826	20486	54011	1	28710	14951	22250	68778	45389	67677	111926	29767	79634	116509	96945	107910	151789	91850	64759	70476	19987	17484	100971	34736	55822	17378	27862	24541	107226	38566	24051	38110	83217	65916	60598	33689	23552	51379	22849	139651	50916	89006	45720	29485	55508	38661	56805	12419	106344	15882	36137	119402	29773	93072	62496	37959	103602	19459	30847	43841	57872	10744	51325	12147	16949	43497	27364	27606	81571	54886	79377	39176	10483	33954	14761	8660	10016	18484	11433	15328	21440	49534	55217	21011	24839	24935	36143	50969	49424	12955	13794	60139	51495	14252	20568	14674	22427	38112	34501	11489	11701	39086	31688	49207	60822	49504	45060
127.9599@1.1800001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9347	9710	13101	17293	1	1	1	1	1	1	7916	7481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13068	1	1	14593	17437	18990	18700	10602	11219	1	1	16037	16825	9515	8948	1	1	1	1	1	8701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
443.0486@3.3320622	9685	10441	10371	11818	11635	9531	11283	9865	10237	9986	10325	1	1	1	10209	1	1	9807	1	1	9979	10894	10389	10219	13659	12467	10857	13921	12325	13853	12040	10988	13465	13290	12871	13309	13037	14443	13093	12069	11759	11961	12429	11882	12223	11234	12922	12119	11683	12681	1	1	15702	15596	15381	14646	14778	14416	1	1	12596	1	1	1	13338	1	13447	13041	1	1	1	1	9141	1	13164	13646	12923	1	11039	14084	12712	12989	13249	11810	1	13014	1	1	1	1	1	11542	1	1	11516	12706	12812	1	15603	15576	13765	13146	12671	12637	14815	14805	14443	14525	14089	14539	16171	15883	19298	16105	15902	13941	15958	14246	15464	16317	15101	17635	13936	17700	15836	15537	16457	18401	15466	14422	17006	15277	15723	15940	16612	15750	15719	15688	15364	14834	16895	15678	16653	14852	17508	17450	17412	12944	16290	16479	16452	14568	15810	14787	13313	14560	16015	14955	17138	17159	15508	16235	14359	15457	7382	9046	10068	1	9037	7592	8531	9523	7520	1	8025	8072	1	7510	9052	9296	8234	8945	8758	9708	1	7062	1	1	7931	9304	1	7085	1	1	8573	8911	1	1	9104	9053	8237	8526	8208	7910	8595	1	1	1	1	1
621.5567@0.8660436	14430	15267	15473	16241	18178	13705	13110	15235	15882	13654	21052	18006	20488	20826	12586	12261	15446	13841	15298	18599	15087	17957	12972	16130	19534	11909	19730	17814	12444	16909	30416	33256	31282	38683	31372	37365	35372	32548	29989	31464	26415	28691	32783	34466	26863	27822	28051	29932	35396	35135	17945	20522	29175	28512	46280	43426	26681	28894	11736	10067	11330	13020	9963	7079	13886	10146	12771	12668	13323	12880	1	1	8895	7764	11950	12989	12033	11433	12198	8942	10375	9254	12780	10323	13808	13306	1	1	7033	1	8906	1	8758	8131	7774	1	7585	9625	13424	8051	7971	6220	9019	7045	10459	8705	14181	14693	11887	9718	9864	11610	7352	9627	17763	20616	22785	23067	9606	9332	18686	18935	25218	27677	17824	19895	21090	18099	19704	20000	20294	19399	15675	16670	17989	19878	19662	21149	19214	18942	19027	17630	18696	20668	25018	25031	19601	20979	31629	29581	17575	21306	24865	23703	8294	10020	26456	30065	7329	7790	14183	17347	26105	25033	10038	9570	12857	12439	9788	9985	25764	26990	8397	6743	11663	11337	21096	23149	12899	13265	9253	9814	13974	13435	7932	9016	1	7048	12390	11788	7972	7833	7663	7171	14918	12514	1	8239	11998	14408	8934	8049	31440	33830	7741	8431	1	8385	8758	9444
C18 H30 O3 S nullnullnull 10.527748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55198	64143	1	1	54883	1	39119	67424	1	1	31101	32235	28143	1	54259	50003	89258	71308	51175	54212	89243	120837	149149	52850	26293	1	73168	43292	1	1	1	1	1	1	1	1	31643	1	36804	1	75427	84002	33157	1	64790	74941	60443	32642	42759	49622	165899	107482	1	29051	321117	12107	98639	102389	173383	169481	164249	181465	141299	149679	172691	204112	106115	119102	90191	96786	68029	111635	133332	109368	116049	85932	75998	48035	97598	104337	97648	123357	56114	84624	102247	108903	46075	86841	55352	61630	67264	54795	104646	115600	63491	42930	124294	174529	55172	78284	109283	102365	104639	102662	157338	189085	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23695	1	1	1	32633	1	1	1	1	1	1
195.997@0.9686703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31662	28199	17391	26225	21169	22783	32968	33463	32087	33648	28575	27335	20408	20957	34911	25062	42615	42200	43713	55657	38882	17220	17490	26123	30558	15196	34704	12306	23778	19681	16148	15955	18973	17431	50844	30094	28055	26186	17023	12215	27027	26600	19678	16030	22835	33148	1	17914	41734	39859	1	1	35922	29301	20103	23002	33032	39014	34130	30717	28855	30893	38259	41442	29775	41071	36022	22105	29671	28470	14121	27902	29407	32296	25654	12723	21506	31524	30848	33587	86273	22385	33698	38055	21321	28619	41193	38522	29836	38651	37142	34059	42724	33950	32562	89904	29855	18227	33394	34345	72177	32807	14475	15128	25934	26942	19836	19295	19454	15007	20369	14739	23915	14891	13297	15155	27265	27151	68837	17177	16181	16103	20159	48446	15740	21668	11442	42880	21119	16248	17303	15738	50400	45931	19321	18600	14366	24698	17892	18950	16699	15164	14082	44327	26164	19231	63245	62038	41042	68417	11025	15077
2-Methyl-2E-hexenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19307	13972	8682	9964	20271	23459	22743	17769	18262	17549	6485	21763	25079	19638	14241	14753	12992	1	7531	11570	10448	10704	14094	12865	7851	18974	12550	8555	16043	10153	15725	13408	15086	12225	1	1	8007	9597	15506	8728	16664	8233	13911	10062	1	1	16043	1	13361	11379	19320	18938	13008	14411	17265	9600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(22:2(13Z,16Z)/21:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17053	20300	12814	13082	12859	12222	19043	18105	19199	15712	15641	15598	10604	9520	10198	9215	18276	22440	20168	17835	14730	14019	9845	10629	16992	16331	13488	13559	1	10053	11567	11935	14975	11110	1	1	9417	11797	15660	12379	15389	20713	13969	17600	15497	14729	16974	21590	21607	21744	11746	11594	20713	19027	21988	17636	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.062994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	166969	129641	126936	121653	225460	121913	132924	145973	136240	117858	112096	126299	122040	126962	52693	73629	64579	79467	82571	78874	65659	64942	104481	75159	65613	86341	79598	66892	63758	64331	60646	63936	73482	1	63276	68990	99012	90041	72949	78754	72394	79632	67087	63073	64941	69860	73429	67304	65727	67615	72375	64329	84323	88345	77722	108071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Chloro-1,1,1-trifluoroethane	16931	12180	14500	12167	16411	15749	12249	11235	14563	12205	14174	15322	16316	16741	11014	16853	13266	16030	11289	14214	10141	13737	11064	16334	12040	16756	15472	15413	14640	16402	19275	20262	18428	19481	18672	16986	20478	20328	18856	17775	17850	18994	20476	21108	22974	20642	18652	18860	22692	21341	18181	13552	22565	23436	24128	23277	22741	21100	12778	12776	11580	14029	9870	10260	14464	13714	13023	14489	15482	13357	1	7783	11646	12110	13797	11855	16738	18647	15685	17449	9016	8705	11734	9809	13713	15603	6573	1	9291	1	8441	8567	1	8423	12927	14303	11529	10249	18699	16012	9612	12156	12353	16085	13198	17292	18655	19089	13634	13171	16105	14465	19167	16850	20017	19932	24403	27205	16598	16238	23766	25229	24668	17895	23547	23300	18916	22567	22743	20295	26419	24762	20825	21775	23696	21375	25580	24410	23280	22779	22811	29573	25073	21138	25879	25019	24701	26062	24419	26792	25422	24284	24356	23654	16362	15614	25993	22530	19811	17382	23371	24577	24460	24305	11150	12044	11975	13287	11701	11767	16464	16629	12353	11831	14576	13505	18360	20042	16199	15427	13024	13688	13623	14271	14798	14543	14408	12833	17105	13820	16554	13904	14321	16022	15201	14309	12951	13999	15956	14487	15627	14600	22915	22157	13108	15461	13938	15093	14902	12713
C24 H8 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7331	11231	9463	8464	11712	9975	10971	13514	12496	13550	13366	10709	11443	11750	12756	11583	12362	11108	11338	9368	9766	10420	12079	11965	12128	11281	11641	10842	13286	12111	12670	13721	13339	12689	13743	11260	13119	12725	12460	11070	616345	15108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12308	15294	13423	14589	15095	15333	13196	15160	16738	15427	14108	17256	13787	15803	15096	13589	14211	15305	13992	11941	11306	10429	12022	10088	9800	9054	8924	9315	8547	1	1	8299	9594	10325	8097	1	9418	1	8741	1	8887	9520	8553	8527	9021	1
888.1309@12.049002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30358	11265	14408	39350	15566	15159	14205	1	20647	1	12863	1	19157	13192	14085	1	1	1	1	1	25568	15528	1	10160	12930	1	1	29442	20239	1	1	1	20488	1	1	1	38688	29118	24402	1	19488	1	29753	23916	1	1	14589	31856	1	21324	15608	31117	28691	1	20794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84099966 :28	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25233	28553	25395	25641	9557	14696	33188	32830	31037	28274	34654	32973	10769	12193	28399	27967	41024	39772	33638	17885	11875	13379	9962	8754	10991	12215	30329	31200	10497	17568	9250	10211	16753	11856	11750	19717	12635	13208	10878	15608	42003	42803	20381	19100	31959	34497	28575	30017	46867	45355	27941	32531	36916	34830	36224	33823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8527357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19185	20655	20676	21236	26673	26667	18018	22348	23154	21598	18280	16215	25356	27768	13048	11345	18957	15767	22840	23776	18044	20106	17286	22041	20532	19308	17470	14829	22430	24933	22132	25230	24602	26773	18781	16742	27132	23071	23928	24088	19056	14994	22123	21205	15116	15205	16672	17786	17717	16171	14590	19733	15310	15459	23272	20490	22101	22080	24196	22113	19618	16520	24149	21188	25029	26918	23050	21380	23671	21919	20442	21997	22945	22923	21883	22838	23361	20944	23630	21085	25308	23283	23320	24782	23740	19718	25493	24751	23167	24352	27617	27093	23778	25921	25500	22896	12757	14379	27148	24088	17905	17374	18370	24561	25436	24023	11780	12985	15201	15173	11391	11130	23579	24634	11328	11321	15124	14406	20096	19975	15919	14807	12503	14448	15935	16025	15277	13606	12254	15789	14498	14955	13546	14271	12301	15344	14102	15438	10768	13227	17043	13261	13512	14377	27238	26035	13290	13155	12334	11399	12383	12158
239.8476@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12583	9752	14977	14702	13435	13239	12856	16136	14886	13406	15453	18156	12162	12362	5934	6758	12537	10707	14910	21689	14698	18185	13082	14933	11523	12035	13060	9603	11252	9567	12002	12301	12010	8990	8048	8145	11368	12832	10929	11204	9756	8870	12042	9566	11341	13408	13541	11550	12510	13494	9800	8610	10355	9567	11316	7948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
756.0253@1.1809999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9085	8283	1	1	1	1	1	1	14760	16965	1	1	1	1	1	1	1	1	11221	9187	1	1	1	1	19832	18378	14245	13284	13207	13436	1	1	17429	16200	6682	6625	1	1	7296	8834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
175.0093@1.2848547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25034	24127	26613	18197	37073	34653	10734	16735	25060	26157	20851	16108	57757	60193	26867	23224	23650	23417	18139	9666	10872	19247	38861	36884	1	38055	13564	12753	49174	61942	44010	44519	58483	62644	28727	13844	67526	65808	58105	54508	26608	28143	45702	46363	30972	34131	29569	44509	19060	25811	35682	14321	32073	34281	53313	27804	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :29	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	38748	40650	43108	41003	40141	41245	39170	32682	37292	36429	35321	34039	30989	36056	32651	19626	25731	29105	53959	32604	33006	33239	32058	30746	31995	34635	34906	34107	36979	34362	35690	31550	33265	35240	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Protoanemonin nullnullnull 1.259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81451	82267	52839	56254	150853	194461	97454	100317	67551	68413	53690	46481	134243	122473	50677	46711	76729	60485	73458	60271	98956	108511	149144	132808	146526	132878	67210	68355	143838	177107	214626	226446	103142	112566	36855	41370	178019	165218	165408	175899	86415	94219	214732	205417	66145	66185	68518	62221	74162	72547	52907	62918	53372	49427	1	78334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C18 H14 O21 nullnullnull 10.274693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33265	34717	35674	31601	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	12812	12626	13516	11256	11940	13253	12871	12990	16238	13578	1	12389	15220	12449	12868	1	11834	12788	11886	1	1	1	11166	1	11958	1	12636	12214	11157	11949	1	12130	11931	1	14200	14720	13651	14203	12664	1	1	1	13976	12626	12467	1	1	1	14227	12144	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 S3 nullnullnull 1.0909997 :30	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143178	232446	145421	231241	176690	181578	231970	234255	173237	79885	182627	167235	21889	72874	196922	116119	73452	184135	195094	138600	73659	50837	153080	191978	21240	181837	61647	53619	112517	113058	115050	148068	62386	174683	561052	302889	93451	223581	142562	201093	92529	255684	72816	230151	87052	83144	233619	199081	256096	264632	234750	98226	90221	188978	1	42137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Gal?1-3GalNAc?1-3Gal?1-4Gal?1-4Glc?-Sp	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6329	1	1	6851	1	1	1	6614	1	6809	9934	8956	1	1	12073	12818	13867	16357	7023	1	1	1	1	1	1	1	9428	11400	1	1	1	1	1	1	1	8059	8673	7466	8792	11194	14756	13183	9814	8456	10060	9275	10542	10389	18657	20253	11181	11133	11892	14306	14924	11320	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.1252@8.533233	71321	39383	10708	19951	10622	1	1	1	1	14569	22558	29877	157566	1	163139	1	1287965	37391	51413	10810	40416	70461	1	9901	19851	16433	15226	11473	9664	14261	8141	10864	8209	11044	12609	8295	14158	7520	21856	1	8259	24773	6398	8742	12959	12577	19682	12587	12468	16677	16635	15024	46370	27793	14486	20634	12576	16783	1	1	1	1	1	1	1	1	1	1	1	1	37634	1	1	1	1	8415	1	1	17780	1	25992	67515	8013	1	1	1	8439	1	1	1	1	1	9498	7115	28631	13582	35416	7814	9764	6548	30468	26263	11054	9118	75569	9867	16484	19241	14251	7456	23102	15689	1055469	12963	14360	13402	14656	15274	15928	15307	16372	13476	16544	21324	15999	20353	17560	20435	25159	17920	21094	14067	26228	14941	20554	14355	15444	15086	16524	15697	15441	14144	16532	14612	20352	17933	23107	20122	21714	20148	13826	20769	23845	15721	12070	14394	22003	23272	17839	18888	17901	20851	19370	14058	31899	41795	35262	32741	14451	21492	15768	15411	22205	22808	94194	173197	16968	14510	20926	16208	29795	34040	20792	21135	29767	14655	16438	34398	23612	17417	22721	25355	22458	22618	20101	22091	33723	26327	25157	20434	131975	10818	19525	21929	19309	27179	135735	11188	14792	25882
214.1569@9.800817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	156865	1	68436	1	120506	1	1	1	1	22518	39852	34216	1	67673	1	39645	205744	1	1	42183	41693	1	150919	31673	44712	1067791	1	1	1	60184	191130	295437	1	173647	51051	58551	141572	52210	111735	150480	1	29542	1	103449	96432	31533	1	146173	1	161832	220628	68589	1	1	1	148504	104811	32623	52386	96786	115779	51332	59619	53069	253571	166249	171413	190449	1	259091	57613	27135	1	35024	1	62359	52132	1	1	60826	45302	253920	1	62470	168431	49444	1	1	294043	29745	60103	51754	52507	38003	60738	54995	88657	83863	82624	63406	66310	35626	33383	33750	65189	60680	62767	29684	166527	290115	1	60243	70677	221674	105604	55227	64754	60355	53442	43142	144039	1	61502
C20 H7 Cl2 O22 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13273	1	10724	9089	9824	10789	12386	12525	12587	11741	1	8182	13044	16917	7275	8067	10762	7640	13328	7923	8525	1	1	10882	15115	11903	1	1	12958	13492	12140	14518	1	16634	9411	11338	18507	1	15760	15728	10469	11538	15053	13360	11621	12518	9433	12946	7324	1	10723	10514	1	10856	14165	8019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8720004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15190	15735	16612	11597	13238	12177	14565	20802	17382	18268	13262	11192	20819	21798	1	10301	14983	13645	15315	18946	16312	14811	17358	12520	18126	18926	12990	8964	12678	15939	15068	19277	16336	14460	8121	6274	15544	13209	12155	11269	15469	14012	13509	16468	15375	15651	14056	15009	11151	13718	14343	11873	12572	17422	17087	21442	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
581.0527@1.0330001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12586	11811	1	1	1	1	9854	7992	16158	12558	1	1	1	1	1	1	1	1	8673	10639	8627	1	1	1	1	1	1	7841	10267	9960	1	1	15100	15040	12193	11640	1	1	8411	8122	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
524.6813@0.8660001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11300	11570	16108	17239	24880	22724	16257	11566	13874	12204	10843	15661	24029	24194	1	1	8127	10357	14391	16683	13088	15703	23474	26255	15261	21353	11319	10184	21573	26468	21653	25178	24765	22888	10448	10921	22219	24324	20883	24431	9953	11134	19708	19054	13709	14404	18527	16209	9355	9575	10442	10034	13979	12079	14910	9413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15599	13027	12991	14016	14372	15045	16074	10351	11392	14072	14255	13065	15971	13572	7740	8906	14288	14459	14560	12903	15808	17264	13793	15093	16954	12528	13190	11507	10624	11563	11781	8566	13185	9697	9334	7142	9947	10363	10050	13752	11799	14915	14205	13816	10542	11410	13897	13287	12397	10916	14397	15305	13342	12019	13924	12680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
195.9965@1.5703162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11221	1	12635	14462	20058	16658	20513	20108	1	16373	1	21556	14711	11217	16306	22852	20425	21749	1	1	1	1	26591	19972	23350	8365	17583	29135	40117	38035	15272	15484	15952	1	20546	22953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13718	11625	1	1	1	1	13351	1	13152	1	1	1	1	1	1	1	13888	8297	1	12042	1	1	1	10813	9878	13863
945.6165@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16677	20220	12438	10733	17042	18921	19100	17648	10558	17360	13013	13127	24710	17553	1	8329	12757	16476	18826	16541	17538	12777	16388	14830	20414	18621	14397	11195	24286	18577	15577	17413	21098	15876	7618	9286	10971	13037	14169	16080	11787	12871	11027	9297	12561	14569	12849	17458	16332	20164	8966	11636	12509	13987	18574	14869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
764.3379@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7336	7491	7296	8261	6047	7043	7416	7653	8450	7723	9385	9361	1	5783	15241	15807	13702	11874	8523	1	1	1	1	1	1	1	7158	7756	1	1	7487	5890	7340	9379	13119	11469	10087	7500	10181	10541	12723	12078	10920	10903	15874	14810	16411	15553	13544	12647	12104	10547	12945	13227	15791	15546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1138.6927@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16063	16764	15922	20124	19680	20313	18558	17765	18408	15556	15464	13852	18729	21202	15590	18530	17138	21392	17974	10989	8887	8698	12432	10469	17128	19526	11144	11872	21457	23463	22335	25040	24821	27813	19619	18391	29525	31081	30756	33166	18451	22446	25512	22927	19352	20364	21836	23822	15654	19226	15466	19833	16314	20988	19421	20556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 13.395213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31559	85904	37555	63229	74715	60471	108577	37963	51332	78861	71162	51855	78256	57061	21149	18351	36289	43707	66634	93761	17254	16482	235795	1	214374	120587	54733	26180	152431	23798	161099	19689	171296	47395	29252	33634	67058	181388	95595	44802	23643	1	81917	115174	89946	15736	67369	41333	25944	41743	49158	31301	67357	24368	64108	47999	1	30779	16104	54296	30510	16754	12138	1	1	1	1	1	22359	1	1	25825	1	13275	1	1	1	1	1	17806	1	13297	1	1	17256	1	1	1	1	17063	1	1	38910	26175	1	41772	1	1	19365	1	1	1	63232	22911	1	31416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8769191	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20343	18534	13385	18534	20403	15751	19581	18899	18801	16448	15103	10988	26310	18547	11422	7234	13024	21947	22508	16746	12046	15453	14667	13223	21116	12847	11979	16262	11738	20502	16437	21796	19821	17732	10474	1	17927	17010	14188	20378	16549	17091	18423	16119	17267	14239	19637	16732	15357	16126	11101	9793	18806	16063	19246	22817	8220	7261	12230	11321	15750	12609	17600	15421	9348	11024	12747	12001	9550	9115	8437	11100	10894	11274	8528	10603	9839	11461	12584	13564	9061	9620	16070	13395	8320	10018	11814	16613	8219	9035	10686	10604	15651	12387	10667	11944	1	6898	8440	12091	12999	13979	8651	9313	11048	1	1	1	1	1	1	1	9306	7963	7546	7194	1	7579	8610	1	1	1	9752	1	1	1	6779	8715	9581	10693	6673	7658	1	1	12448	13208	1	1	8051	8324	1	6819	8368	1	1	1	6277	1	1	7272	6973	1
1255.716@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9001	9961	12178	11056	8993	8389	7071	11405	13955	13586	11829	9695	8606	1	18796	18331	16959	17715	11213	1	1	1	1	1	10060	8224	10348	12042	8167	8522	7479	12395	8067	9069	14330	15539	9204	12569	11867	10656	19992	15912	12563	16121	19135	16850	16924	19330	13894	15527	18442	16417	14204	18768	28627	19684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :31	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7055	7118	8230	8332	9913	8867	7768	7327	6911	7425	9969	6497	14402	12040	12018	12979	12709	14234	9900	1	5893	1	11519	9831	12249	10898	8891	11410	14309	15004	11651	11832	13290	12402	6862	9553	15219	12628	12520	12001	16375	16059	11026	10204	11438	6422	6148	10868	20084	16805	12540	13119	12695	13576	11376	7456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
894.3069@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8342	7850	10167	9366	7331	8927	8590	8453	11147	8277	8996	12426	7223	7457	14991	12140	12000	11305	12009	1	6601	1	1	1	5864	6944	9640	8296	1	8540	10910	9948	10647	12867	12215	16280	17769	15999	17172	18548	11907	11886	18927	16209	14114	12090	13998	15151	12494	13228	14103	13263	10283	10963	18567	13603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8660001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12804	10952	10207	14266	8042	13444	17370	14207	10869	17360	11441	15030	11266	9457	6023	8581	12682	14848	15661	16300	16020	8985	9028	7699	9282	7506	11961	13983	12327	9607	5709	9954	11005	7821	1	1	7083	6493	6781	7448	14981	14626	8679	10325	13237	9518	11110	11622	14310	15499	12206	14177	14546	12226	13481	10916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Hydroxypropenoate nullnullnull 1.1009809	3447195	3576034	3919879	4037132	1436301	1416094	4276219	4238474	3847650	3919570	1611197	1644463	2283888	2326409	2296395	2241938	5936074	5735660	3001669	2874460	1454398	1456295	5518443	5637954	2159409	2261019	2662094	2675502	7126624	7218780	704736	682705	746827	735811	176014	164939	286995	283888	212912	214857	386749	377858	395778	409743	802003	829723	287834	280340	307461	312875	60943	68328	397394	405453	117344	115394	462699	495591	460992	440460	490416	482835	1120881	1097078	1366981	1355515	338845	340295	400584	429934	2683328	2714042	340833	324152	378884	371203	1359389	1357590	571513	1585428	875313	866697	885672	1977518	1237486	1235087	2724782	2729478	962455	966838	1079798	1149583	263715	308311	1224403	1245154	971295	960797	433919	461402	866768	919267	582492	569201	799708	778728	286720	295867	690620	688364	371559	360617	766186	719524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H4 N5 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48142	47839	41170	40870	38660	40759	43752	41016	40985	40221	30996	32976	44661	36503	31696	27534	37990	38201	43547	41304	36285	37968	30734	32313	38192	41631	28038	28156	26916	28788	28267	22175	34184	32614	20058	25564	38899	39285	43538	44030	48735	47672	42938	44096	47898	48992	44496	48376	33391	36324	40559	45443	50811	46671	55925	45005	20558	27064	21501	19978	16894	16911	24071	23028	20178	22193	20535	21014	20791	21969	23244	24061	24419	20490	22228	22818	22367	20272	25056	21427	21054	22383	21507	24939	19590	22286	27076	23600	20413	22456	22220	20483	24405	24207	24642	21669	17402	19361	20350	24549	18433	17512	22723	23745	23710	21293	16053	14716	13231	15070	13727	14979	17443	18391	17969	17144	13408	15475	20950	21228	14551	15610	15798	16170	13856	16200	18566	15953	19905	18162	17853	13328	13601	16387	21209	22028	15046	15173	19390	19255	15912	17231	16876	16929	18059	21090	15829	18300	18317	14117	18572	16640
466.9753@0.8859998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12217	12565	1	1	14484	15037	1	1	1	1	1	1	23460	22946	1	1	1	1	1	1	1	1	17221	20739	14373	17772	1	1	26859	27978	30144	25893	22296	25616	1	11173	28168	27642	29059	26351	1	1	21998	17463	10750	10741	10426	9956	1	1	13346	11245	10834	9676	14983	11798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
257.0639@7.4759984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8335	14919	17287	15272	14584	1	1	12152	11147	9033	9744	1	7837	1	1	13294	13294	14969	14116	1	1	13514	15615	1	8378	9521	8823	1	1	6952	7146	8988	7565	10450	10064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
628.6159@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18340	14246	18138	17196	14714	15473	16618	15581	13701	15403	10380	13287	12511	12421	13066	10026	16571	18352	16208	15507	12809	9859	13591	12537	14886	16872	13442	11770	8822	11547	12874	12722	17734	13600	12966	13575	14271	15151	14376	17377	16048	13130	17262	16827	19180	19205	13355	18580	13690	13337	15314	19998	16788	17090	19039	18477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H69 N21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8052	11035	13706	9307	17980	14030	15578	11844	9650	15120	12291	10309	13548	7858	5826	8726	9656	8795	10295	15201	16865	12568	15675	13304	10352	12816	16489	11466	15099	11031	12024	13103	13399	13549	6321	7134	11499	6668	6022	11822	12413	8640	12062	9697	12163	11730	6450	12590	10883	8474	13815	9042	6414	10812	10109	12585	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hypoxanthine nullnullnull 1.5449989 nullnullnull 1.5449989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41746	38833	19862	17676	68995	71019	20456	22070	11402	12054	1	11332	37542	59705	34167	30583	17287	21926	33962	31317	22923	22982	47207	49027	67268	72656	1	1	100793	97719	77225	75879	62971	61177	1	14599	51159	53521	89432	85029	25531	25560	70475	66203	23443	22813	21882	23462	1	1	48500	46295	43319	37851	30275	27753	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
151.9854@1.0461473	311450	318093	389327	417498	281283	275525	379031	392960	371819	373862	265324	270061	309076	317302	331760	323871	365319	333754	338870	332211	241292	253547	434006	450285	352222	380435	336335	332454	412580	416895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25057	1	112438	10712	136149	1	7463	18936	22744	1	122756	133515	19972	22032	10274	41955	28521	27486	25808	28240	25584	7502	38450	13068	8831	23731	28938	7444	116474	108332	22856	8533	145630	46195	25796	14118	18642	18954	1	34987	27790	34975	1	27740	28495	26996	36162	31880	41488	19743	22825	26819	20497	33291	9696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
215.8868@0.87300014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59082	60352	62342	61698	29899	28043	71348	64680	68072	64694	78050	74853	26615	28516	78572	70941	88832	91949	59049	51877	54480	49989	33179	33193	41226	39429	80588	78351	18435	22163	26463	30053	33484	31996	48823	53321	28219	32291	39731	40928	85935	86455	44429	44145	71070	75769	77383	75934	93386	96164	79089	82085	78328	78792	81990	69199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
526.8743@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10176	1	15332	10801	16690	15546	12472	10048	13987	13220	14734	11878	19946	15552	20523	19089	17104	15716	11974	1	1	1	14803	11988	12192	13068	14625	14353	22641	23721	19876	20204	22719	20606	23493	22467	21252	23553	21621	23891	23971	18524	27745	21459	22355	21405	19852	17924	24781	18875	23837	21145	22853	21176	34856	27574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C10 H Cl3 O10 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24496	19963	18646	21128	19150	21651	19718	20111	18129	22273	17749	15392	12749	16213	16361	13691	17923	16626	19874	25145	27101	24208	21273	16804	20485	15054	17638	20442	13140	15344	13255	16587	12845	11627	10704	12048	16741	13416	13357	21374	23810	18267	18424	13992	21156	18824	21709	20920	15947	18980	18402	21252	23799	19524	23207	25204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
344.9175@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10772	12513	9956	17352	16525	16494	9628	8824	13782	17171	14080	14776	18086	17565	8524	1	10490	14498	9478	1	1	1	18055	16982	18805	17305	12218	15787	14810	16177	15693	13428	17180	19621	1	7082	14117	16690	18515	18962	11991	10465	15246	11483	10102	10986	13158	14239	10918	12582	13530	14026	11425	12239	16181	12586	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
645.578@0.8646014	19153	19554	20628	17550	19642	19927	18331	17062	17544	15903	15316	17476	22303	17278	16684	14623	22315	16177	20348	19113	16662	16479	18549	20048	13476	19371	17991	17583	14427	15477	27557	25504	31097	27623	31788	29531	30198	27621	24250	28933	27117	28515	31023	31110	28631	30313	25673	24861	27716	29998	11449	12371	25936	25682	33457	32123	28477	29293	9672	13872	14017	10486	10259	8404	14289	17219	13667	16520	13098	15276	1	8496	11353	7147	14909	15848	13128	12824	11668	9492	10849	8827	9219	7084	15591	11277	13019	1	10128	9183	9704	7678	7978	10899	1	9583	9068	6892	11997	9473	8390	9376	11434	11649	12547	7785	16103	17897	14966	9717	10669	9509	6609	12642	12679	13306	15581	14649	7139	6552	14421	12586	17872	14446	11833	10940	11956	12024	13181	11634	14533	12548	12440	11245	13130	13111	13428	11126	12758	12969	11314	11488	11815	12658	15270	16016	12825	11272	16667	18063	12605	13343	15478	15005	5816	6057	17628	19335	1	1	11946	13156	15455	18506	6693	6577	8826	8464	6093	1	13157	12290	1	1	7969	7764	9806	11365	7667	9598	6384	6582	9554	12286	1	1	1	1	8322	8444	1	1	1	1	8966	8401	1	1	7819	7732	1	1	14483	16278	6272	6474	1	1	1	1
1138.8984@0.8639999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8652	8015	11938	6646	17503	20138	7622	6535	6351	7946	7377	6333	26351	25257	1	1	6171	8830	7714	1	1	9806	20615	16254	15067	16641	6007	1	22326	21726	23363	19976	17786	20714	1	1	22444	23110	17430	20731	1	1	20155	14268	8959	8005	8637	8498	9524	8341	8029	8390	7649	1	10923	11405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.0359@1.2530476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	630590	622635	525509	532128	1282252	1237744	833710	828409	633362	619608	407647	445107	785233	784651	423293	389629	505471	490112	477947	437132	582360	643110	832576	811778	890841	939577	501522	505190	1125099	1123629	990046	1048354	717550	708150	367557	407020	1201256	1215686	986814	987606	712540	713781	1544897	1516794	618838	626187	626935	633501	589293	597799	525708	555941	469330	466148	701651	691546	36198	26251	18208	27882	30196	30087	21505	23765	29287	26278	28310	28796	29171	25080	24538	30224	30608	28033	37957	36328	45655	42394	39850	37661	33731	29229	23634	23115	22945	25875	28718	23456	27497	33882	27831	27133	26874	28999	27326	39977	33470	30605	23607	23374	38472	24362	32083	28224	23020	20388	43778	39607	34766	31689	1	28929	1	1	38632	36347	54252	47207	50220	39825	42285	42769	50637	46887	23834	32497	31942	29778	72061	70068	45418	49607	42894	47048	65862	69865	40363	34835	68486	66046	44189	37886	28873	27828	1	1	28092	28207	56917	69550	41368	33029
C8 H9 N3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22644	20118	24218	16141	54863	46071	17771	17254	23143	20565	19582	1	49594	1	19789	19734	29553	23135	1	17086	30515	30014	11933	11060	11513	10213	17116	1	1	1	85966	98666	9192	52564	27148	30815	81767	73005	52821	14109	33708	28947	72582	74448	1	36630	46863	46378	1	23660	1	32844	1	27280	48803	55568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.045@6.787718	8807	8529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8841	1	1	1	1	8093	11174	1	1	1	1	1	1	1	8258	1	1	1	1	1	7410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6907	1	8431	7396	9090	9419	7228	8997	13994	10784	8090	7992	1	7201	1	1	6789	7664	1	1	1	1	1	8334	6805	1	1	1	7746	7834	7492	6698	1	6404	1	8928	7176	7782	1	1	13822	9197	1	1	1	1	1	1	1	1	1	1	1	1	1	7168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
870.3463@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6762	7215	6282	5796	1	6555	1	8022	8104	9438	9983	1	1	12674	13105	17208	15801	6427	1	1	1	1	1	1	1	8926	11505	1	1	1	1	1	6267	8777	9002	7274	7227	9903	12079	15369	14392	10648	8480	9704	10213	15112	11655	19262	17020	13800	14090	12479	10048	17130	11313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
810.9821@0.8910002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6816	6641	7926	7679	15456	14021	1	1	1	1	1	1	16898	17328	1	1	1	1	1	1	1	1	12416	12018	13065	12567	1	1	8487	1	14895	15925	14875	14882	1	1	19929	17693	16624	17884	1	1	16155	17739	9015	10378	6909	6926	1	1	1	1	1	1	8268	8815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.0969@0.9739994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12045	11947	11337	10464	17394	16703	6895	1	8211	1	1	1	19102	21684	1	1	8581	1	7180	7052	14228	13191	14460	12283	17801	18369	1	1	25233	30884	28330	25581	19868	20710	1	1	22461	19776	24164	23871	13689	13498	23676	23299	11370	12574	13212	11774	1	1	18489	16443	14974	13684	27811	19568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Acetic acid null 1.2533866	1	304287	959743	384232	1	1	1	197109	1	321235	1100409	3936725	801308	68419	1344577	1122458	198676	311091	1	1	45162	458190	787205	273213	404011	258667	686257	246376	139063	1	43746	1	1	1	79883	119551	46189	144175	46361	65890	473750	393510	101070	1	248440	1	89613	1	166227	40105	131981	48039	69679	27106	25861	27603	1	49598	10705	22305	22539	18569	25097	27060	17298	15736	20024	18286	21580	17905	37790	38959	14308	20093	17857	21708	16509	18125	22514	25284	28734	31576	30785	26507	13936	17940	38839	37561	31253	29648	38075	31864	21853	25322	41873	36792	43799	40422	27825	28523	42476	37079	20563	27831	26588	30207	24473	29495	25704	28230	16929	25014	34109	32784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H4 O26	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12644	11133	14225	10765	12316	14667	14440	16443	13032	13624	14377	13150	17668	15387	21447	22880	24356	22450	19818	8120	1	1	11956	11291	11810	12899	13073	14738	13213	17592	14674	16953	12717	12921	9493	11098	16111	14886	13749	12259	24674	25255	13995	13778	18758	17429	16679	19040	25583	27515	17022	18197	19976	19712	23583	20106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
301.9374@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53299	66059	66711	70018	126456	121059	36843	35532	38090	38409	35291	38413	127218	124824	37572	35939	34989	33576	32849	32288	62555	67812	105211	105015	101000	103773	34361	32163	125969	122912	120741	125744	124228	121806	62280	83206	136855	139524	126318	129224	40850	37321	120571	121413	72799	87986	77634	79231	30108	36849	68735	74764	46445	58879	94014	82220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.6923@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10960	11001	9516	12053	13718	11931	10861	11595	11291	12510	9322	9985	8032	7872	6348	1	7168	7857	11607	11208	10630	10863	10979	13187	12948	9858	8027	9491	6305	7585	9187	8014	8651	10644	5951	6228	8361	6502	11846	9401	13347	13567	10357	12118	9912	12589	10096	11187	7706	6147	12271	10008	10962	9548	7879	13136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
347.1404@6.733422	21063	15555	19011	18813	1	1	15352	13802	35182	33063	8656	11874	25298	22522	15880	16005	39907	25150	20135	19956	21538	21750	40047	39622	20605	19704	48465	43172	41016	52677	14559	13089	38190	33919	48627	51957	48609	45227	143853	148464	47285	52610	17901	15720	29194	28569	87351	85783	1	1	14347	14225	71114	68257	1	1	33551	31954	8206	9741	14986	14409	1	1	1	1	1	1	1	1	9473	9574	7893	8264	1	1	1	1	1	7501	1	1	1	1	1	1	1	1	1	1	7231	1	1	1	1	1	12589	11508	11412	10066	1	1	15934	15184	1	1	1	1	12086	12144	14349	13280	13155	12077	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16942	15452	1	1	1	1	1	1	20297	19106	12453	9792	1	1	14165	11436	7582	10056	7056	1	9234	11197	1	1	20246	19557	1	1	16943	15581	34178	30247	11207	8977
> limit nullnullnull 12.162372	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44648	42108	33961	47321	30789	256700	32111	34746	39538	46557	42160	48812	25751	48468	17287	18661	19387	45370	24839	19422	1	1	1	1	1	1	16756	93585	26607	35766	17822	51107	41166	16566	19295	22262	1	19261	13167	19143	18333	67536	1	37862	14509	18098	1	19188	22638	23842	11960	16844	21258	20638	1	21205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
873.7676@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31935	37303	27487	30186	44349	50904	29623	29752	26298	29513	23203	25937	49045	47845	21663	21108	26271	21912	35665	22338	22711	23642	20403	22859	35923	33136	18306	18707	49034	49605	44163	42743	40330	42877	24629	26376	52083	42178	62409	41577	25879	26855	43271	42971	33742	35771	35030	38420	20679	17560	30367	35219	31828	28376	43852	30777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28046	26573	16144	23587	23273	39564	21481	23927	25509	25686	17006	17412	30355	34353	17261	12659	20379	21392	23033	20560	16674	21897	18883	21941	25102	30870	18303	20268	22044	28279	26598	25780	27986	35070	18876	15253	31357	29398	31995	27120	21463	18072	24323	30340	20448	20698	27781	22636	19317	18671	22427	20255	24913	27020	31499	30179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
928.299@0.8437066	11584	11015	12394	14502	11484	13294	12853	13242	12093	14717	12427	9922	13757	10256	12496	11657	10607	11799	10411	10755	11363	11120	11813	13217	10336	12062	13026	11924	13865	13940	9856	7904	9563	9520	8849	8105	8503	6015	9208	6974	8021	1	10376	1	6930	8146	7134	8827	8816	7720	5595	1	8095	7198	10024	7279	7675	8308	1	1	7024	6360	7307	8728	1	6680	1	5827	8758	7581	6649	1	10250	8266	10248	10940	7907	1	1	1	1	1	1	5944	7219	6117	7071	1	9089	8726	11028	8561	9278	11264	12800	10202	12713	11231	10011	11785	14372	14132	8860	9996	8905	9848	14441	16009	11359	10554	9627	10112	14906	12067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1060.7488@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14634	10360	12838	13001	13914	13140	15934	12000	11967	14194	11588	10808	12791	11082	16078	13424	16475	19327	13683	1	1	1	1	11199	11408	12651	10131	6805	13265	16364	19695	16833	21471	19195	18524	21948	21257	18841	23477	23551	21624	21932	27297	22872	17817	23234	24453	22298	15654	13454	19821	22858	13463	19801	28709	21993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
108.0002@0.7929998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8429	8612	1	1	1	1	8272	1	11159	11014	10427	8447	1	1	1	1	1	9321	1	1	1	1	1	1	7958	7850	1	8612	9804	10745	9097	9809	11263	12111	9884	9081	9898	10077	11673	11235	14730	14878	8937	7477	13406	10675	13427	14700	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1103.5573@0.86500037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15598	14199	13869	9478	17293	9166	14523	16385	13505	13350	11550	13319	19773	18966	1	8379	19101	17102	17081	19895	18032	14313	12433	13188	14508	17097	11517	9809	20915	16745	13440	14415	14944	11689	1	1	14543	16004	15344	12602	12655	15214	14521	12022	14770	10484	11549	14113	20234	15422	11709	10250	14512	13845	14081	14251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1731@9.04374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34318	39774	21619	30943	1	1	1	1	1	11654	75762	70460	13845	17560	1	1	1	1	59894	55911	167713	186449	182003	185006	26554	24376	107181	111358	115084	114037	95102	84727	34763	37438	150297	141357	194970	237912	39120	36583	182653	174908	57585	58873	85456	81298	1	1	68036	67090	48207	36720	36082	71903	1	1	1	1	1	12139	1	1	1	1	12480	16697	1	1	1	1	1	1	12642	16477	14390	1	1	1	17173	13242	1	1	15741	16221	1	1	1	1	1	1	1	1	1	1	32900	30497	1	1	19958	18511	1	1	1	1	1	1	1	1	1	1	1	1	33129	30629	1	1	31473	33229	1	1	1	1	1	1	39998	34400	19577	22183	1	1	1	1	13439	12780	22057	22919	22257	21273	1	1	25279	22400	1	1	1	1	1	1	30525	32606
678.709@0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9028	15471	1	12671	11093	12921	15172	12806	14946	11144	1	10085	15402	12955	9969	9204	18126	16447	14204	16120	17088	12660	14783	9094	15002	13519	8629	9588	14784	11696	13626	10436	12736	14796	1	6841	9608	15308	10598	11220	11894	12660	9610	14704	11590	16011	13592	10533	18324	22794	15450	10953	13260	14180	14003	10348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.9849@0.7919999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7076	7491	1	1	1	1	1	8145	1	1	7644	1	1	1	6804	1	8869	8821	8013	1	1	1	1	1	1	1	1	1	1	1	1	6411	7759	1	1	7922	12465	10817	10530	12420	14453	15938	14552	15012	13146	12979	15912	16093	15590	18214	12753	13150	16697	11735	17771	18515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
423.1431@8.334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12818	10062	17573	16771	1	1	18084	16000	9441	11010	11554	12071	1	1	9349	10623	13911	14478	1	1	12123	13568	1	1	1	1	1	1	8388	10654	10609	11047	7504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1002.292@0.8440003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9586	9489	11634	7425	1	7561	11099	9657	11243	8430	15456	13569	1	1	16900	14873	16537	17950	11266	1	1	1	1	1	1	6690	13263	11077	6370	8354	9206	9858	9915	13741	12579	12153	11096	11651	13043	16703	16357	17235	13711	18134	16242	15545	15852	18077	15701	18584	18485	17866	16514	17380	22468	18290	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H14 N7 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13986	13281	10799	14162	12638	11703	10603	9465	11029	10107	9631	12080	12298	13673	8621	8484	12494	12256	11331	9817	12666	14944	14202	14692	12587	12419	11179	9381	10784	1	10466	12626	11477	12432	1	8305	12585	13463	12244	14154	13289	12891	15725	14099	13495	11265	13640	13999	9454	10227	16901	19526	13910	15157	18909	15618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
662.8225@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13808	14666	13407	14934	9959	8522	13462	11020	13085	11672	10215	10741	9926	9891	10085	10615	11995	12269	16365	7307	5624	7482	7668	1	9437	9549	10344	10694	14400	10254	11288	8244	9282	11393	11388	12730	12102	12108	14630	16996	13926	13928	14163	11788	10946	16021	12848	14535	7220	8809	12140	14384	12225	13276	13636	14029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
577.96@0.88400024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16231	18626	1	1	1	1	1	1	28762	25539	1	1	1	1	1	1	1	1	16534	16364	9626	12563	1	1	41699	39603	24220	28118	22450	23100	1	1	23658	24771	15359	15723	6770	7971	14649	14186	9363	9500	8242	9437	1	1	1	7648	8670	7836	9821	11241	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9840003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11306	12246	12914	11394	15769	15900	10268	12904	10168	11388	9268	8788	16419	12923	6516	1	6691	5497	9116	9314	15034	14471	15132	15026	15136	14757	8196	8265	9580	9155	11436	12577	13551	13111	6964	7166	15423	13692	14886	13636	8386	6543	13410	16516	13191	13735	12818	13261	6964	1	11645	10034	12057	9404	15912	18031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10137	1	10265	11814	21337	18873	1	1	8479	9183	8816	9206	26693	24594	12173	12067	16491	13217	1	1	1	1	19050	17481	15029	18827	7004	8411	25693	26459	24324	27775	34167	33487	15362	18378	32730	34625	34165	31680	13530	14606	32923	27686	15553	14781	18343	16274	18127	15121	16100	16268	16086	15309	21684	13205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H10 N3 O9 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10896	8932	11569	13422	14814	16259	9687	11317	12106	11656	11256	11460	13502	16403	1	1	11030	9271	8758	7527	9929	11436	16038	12524	13101	9393	10340	10239	14022	14164	15671	14794	14673	15890	1	1	15296	13908	9645	11332	9888	11471	14083	12880	12811	11427	11598	9313	8471	9686	1	7479	8410	1	14149	11251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.8055@0.84352726	62910	63068	66490	64777	38973	37525	74291	75924	63015	59218	42217	40799	48569	48588	48512	49599	61997	62590	52526	54386	33740	33430	82110	87840	49679	45476	49074	49363	74594	72944	26915	19304	20538	26816	27159	25103	29540	23410	24468	24537	24905	24675	23679	23906	19220	20335	18590	22158	23285	18947	19263	19903	24086	24173	26675	31180	18856	19638	27840	26211	29415	20420	58079	61356	26007	21736	27734	21796	18362	16864	51048	53155	32934	35452	26263	33593	29158	17735	18276	9737	33811	35207	36686	38639	20699	19636	60029	66619	65665	74081	79172	82207	83974	82966	97696	99221	86059	87376	36873	29874	74614	80490	41457	39332	42173	40686	23956	20768	34748	38229	30783	32490	63816	48373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :33	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33265	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :34	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	37654	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19982	25731	29105	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
460.9534@0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11119	12276	11281	10640	20168	17938	1	1	1	1	1	1	26900	26474	1	1	1	1	1	1	1	1	17475	21516	18457	20563	8818	6648	30820	30134	25478	27940	28224	32378	10082	1	29563	30503	24468	22799	1	1	18467	21910	10163	9228	10557	11056	1	1	1	9433	1	1	11913	11958	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.1254@7.3528314	30330	49460	23347	26964	77043	23043	39656	98571	63699	18368	30978	95914	1	11434	45611	44130	61824	48628	21017	24893	1	1	20003	18504	1	14068	1	1	32390	1	61327	10579	1	1	1	1	11254	46627	18606	1	14486	63466	10415	18223	45490	27202	1	1	1	1	1	28534	31667	25182	1	1	17101	15977	1	1	11151	1	1	1	1	16326	1	1	1	1	11920	8558	1	1	8354	1	7564	52268	26904	79202	131807	43946	40803	38085	30764	16099	35258	1	17427	15156	11894	16549	1	1	22332	23106	35938	42505	39058	73404	43031	36359	27193	29937	41648	32479	1	1	31314	81553	23224	1	1	31165	47581	89940	55270	57019	45335	65594	58695	34405	34670	31976	109024	42769	30786	62578	35485	33185	21613	17479	32613	40171	40830	36204	49704	48156	43801	14835	16731	19419	56791	37117	32376	32527	19485	16509	1	12390	28534	36517	9741	16270	104020	117540	29513	51341	52923	40755	25023	31415	32905	24748	12977	20345	12750	16358	7159	13279	57120	1	31852	28555	1	37906	32955	45543	1	18443	1	1	1	11481	31516	19155	40737	34309	32730	33350	10201	28200	26197	8204	24770	26753	14449	20039	1	1	56605	14792	1	1	15134	45094	1	11636	24991	12127
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/16:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13932	10681	12302	10575	8659	8217	12301	12633	16143	15464	12417	11575	7898	1	11886	14308	16742	18187	13708	9540	1	1	1	1	9863	9819	10823	10594	9731	10320	10638	9182	13676	14031	15716	14491	15584	16023	12550	15825	18352	18662	19071	14596	15296	15980	14613	19355	13509	15805	15358	15766	12730	15824	18718	17048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate nullnullnull 4.1581564	50164	13930	79528	133383	32503	61147	43958	89913	20827	11344	113887	8191	126800	75171	152322	158854	14228	24124	181538	135209	51203	50749	128906	29448	71179	55671	237741	44859	15554	55336	133826	105023	185586	43487	1	101743	1	1	92907	1	60928	91269	1	42118	111468	111202	107976	21714	74619	1	101975	1	32861	1	1	64248	92621	146132	21925	28503	30147	59982	69640	65248	46411	26704	36242	46472	51099	36368	65138	67934	22938	49202	31542	33491	33317	49858	26174	33796	62108	55565	65020	52706	23656	29398	94823	87114	100656	100758	64004	63867	50271	14449	99300	99069	49656	36198	69145	38188	83669	82898	40472	50721	60805	74366	35002	23485	41117	54826	42536	18081	30491	42354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.053@1.1639997:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9001	1	1	1	18756	1	1	1	1	1	1	1	14724	15936	1	1	1	1	1	1	11875	11507	12178	14353	12566	13798	1	1	1	30155	19546	23047	16530	17197	1	1	16140	21340	14393	17786	9918	1	14634	18450	8863	7856	1	9568	1	1	1	1	1	1	1	9042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
593.6882@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19169	16806	18658	22834	22809	24602	21222	32596	17213	30336	21102	16508	14298	17851	12073	17064	24721	19291	20471	29008	26828	26590	15550	18786	17963	24814	21070	18947	20688	16809	21602	21521	18711	19963	14140	13645	19662	16112	19927	23683	19847	19895	23056	21789	16668	15623	20186	23047	18194	16897	16515	22771	22657	15160	25909	16204	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 O9 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49329	52399	52193	50780	57635	54250	44127	48571	50355	49064	44236	38983	54184	53224	82875	67832	69553	64017	48758	21650	23391	25997	35967	40775	40945	45694	42122	40592	57691	58981	59270	63111	56834	60479	38245	79772	76233	77477	76504	79902	78569	74084	89690	85167	78821	80930	79204	78523	62255	57978	78730	78718	74367	76241	128377	89566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84500015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14131	11553	12521	11667	18177	12179	17086	14318	11418	11105	11422	12386	10953	12555	9586	15088	14171	13523	15292	6049	1	1	1	1	1	9362	10654	8391	9248	10295	10729	13791	11623	15199	10015	9401	11647	9319	12572	12296	14615	12978	16277	13150	12705	18327	17361	16472	9255	7973	15267	15308	18094	15969	13907	12684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :35	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46425	46667	43425	45165	48959	44881	45575	47437	45260	37234	41989	38277	41198	39644	35686	41386	37603	21926	29590	32182	34890	35834	38390	37472	36969	35748	64132	38751	37688	38698	43185	38269	39986	31550	34429	39660	38866	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41278	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
921.061@0.88800013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8620	9399	1	1	1	1	1	1	11706	10925	1	1	1	1	1	1	1	1	9601	10113	1	1	1	1	20924	21266	14081	13122	10625	10790	1	1	14708	14586	10380	8715	1	1	1	8923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :36	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37440	36143	35321	34039	30989	36056	31802	19626	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	36863	33265	35240	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35118	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.1297@9.938148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7602	17559	17291	12845	15675	1	1	11356	10248	11859	10493	1	1	1	1	1	1	1	1	1	1	14637	9929	14279	14301	8261	1	1	1	10822	11494	1	1	1	1	1	1	1	1	1	1	9526	1	10401	9822	14827	12588	1	1	20485	19336	11363	10213	10627	16415	1	1	10105	9942	10187	17746	1	1	11941	13350	12964	15901	11116	12939	1	10469	10562	12702	1	1	12977	14450	8426	15973	18075	19058	1	1	21060	16027	11034	8678	1	1	1	1	1	1	1	1	1	1	1	15475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9575	7362
604.776@0.8590002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18994	20952	17052	19431	30953	23496	14405	15584	13288	16474	14895	12672	27797	23162	13860	8253	11319	9679	15840	19948	19104	22386	26227	24191	26828	26481	10568	9663	23632	25417	21902	21778	21736	24970	13645	16042	24609	28663	22002	24444	14373	14236	22896	22587	19519	15227	18080	19746	9871	10018	15074	15069	18281	17603	19321	19240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.7949@0.861263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30642	32914	26418	29912	37071	41703	34269	34696	34270	32719	31282	28822	47932	43195	15251	17018	27443	28698	29127	36806	35853	36913	36198	26151	30995	32955	27087	26462	44096	53611	40905	35901	36468	30519	19405	18099	39437	28559	27436	27645	28229	26276	28854	28394	21862	22675	24162	27538	27058	26740	24478	25933	25521	28039	25516	30405	37140	36219	35406	42702	32114	29894	45551	41241	38966	38287	42740	41297	43921	41326	40207	39151	40531	39886	38895	40918	38952	40507	41958	46064	41313	36746	42815	45864	37748	44693	41782	44659	36791	38469	40773	40867	45895	43322	44046	38019	26852	26660	35396	39739	34934	34050	40404	44545	37685	41365	16877	17310	15433	19745	15614	15450	21412	20047	18188	19268	16689	17753	24781	24338	18639	19671	17837	17667	16457	17101	18441	20580	24777	24038	16252	19631	16578	16502	26582	25791	18481	15523	20437	20010	18269	18768	21534	20439	22677	24162	21644	18205	17044	15313	21509	21673
187.0133@0.94	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7484	1	1	8314	1	1	1	9312	1	1	1	1	6870	1	1	1	1	1	1	1	15264	12890	10035	11154	11864	12775	15469	16584	13848	13851	15424	17358	17021	17133	16790	17510	16709	12940	14068	15448	17778	16902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1304.6392@0.8530003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7114	8851	7860	9031	12492	15837	9105	8443	9562	7228	10381	8143	14822	12198	1	1	6044	1	7915	6799	1	6694	7813	5848	10545	9602	1	1	21118	20841	12628	11052	8766	8049	11892	5957	8232	8739	9209	6309	1	7302	10072	8988	1	9746	9513	10376	1	7722	9021	10376	1	7970	1	8591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
435.9526@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10674	17192	19029	1	1	1	1	9939	10053	24661	23853	1	1	1	1	1	1	1	1	19676	20929	18703	19069	9617	10412	22866	23762	23868	25374	26036	25298	1	9043	24660	23955	27829	26786	1	1	19183	21123	1	1	1	12570	12289	10515	8746	13710	11398	10292	13494	12573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
540.9623@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7718	1	6470	1	13866	10095	1	1	1	1	1	1	14341	15825	1	1	1	1	1	1	1	1	11029	9233	11541	12393	1	1	11459	14413	12998	11268	13090	13073	1	1	14005	14865	15361	14042	1	1	13779	12554	8371	9218	7434	6880	1	1	7076	6803	7403	7748	9528	6348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Citraconic acid nullnullnull 1.1539463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64854	92434	42534	43502	138091	142496	887218	894434	64087	62949	92755	37252	96977	96033	21565	22542	33939	126814	941507	935411	98896	102034	342739	322389	65243	662109	805200	790592	189086	194296	91129	99192	108786	105836	50554	26273	121709	112271	91671	95216	466009	460816	648926	88924	39078	44517	55396	69653	57195	89437	44065	44295	50115	78084	188234	78710	19216	72193	17460	17163	20796	17267	15680	13681	12631	64932	69298	13825	21869	22576	22262	23789	76643	12121	19336	19890	78943	22015	16842	107319	15486	72314	18325	17378	73023	16353	77319	82910	18378	17463	17984	80305	18124	17516	20467	78146	30699	22756	15732	62665	28406	29991	22306	22312	20556	17436	16835	13582	39823	46833	30308	27149	16411	19011	38362	42477	20451	20924	18769	21025	17644	15704	22838	22858	10887	10718	37598	22869	63536	60235	23730	27015	24448	22760	45966	46795	11821	13147	43124	46597	13202	10839	34767	30729	19615	20737	20260	31771	42592	38128	37972	39383
C4 H O8 S	40727	42030	44616	1	53471	48001	38753	69393	1	105006	49154	1	43646	31546	43682	1	62135	1	35870	1	81269	70447	1	54704	37728	51466	1	1	37649	47673	33825	61666	1	1	112664	52948	1	62389	63584	51688	1	1	130326	45802	42745	59581	52319	38499	40078	1	96020	23111	44510	1	67319	50380	63870	82013	1	1	1	1	1	1	1	1	1	1	1	1	1	114479	96874	59251	43658	36174	59933	54359	104581	52468	66747	125468	109097	64041	67172	64148	187218	94341	50087	64483	110859	27208	1	68766	155301	44637	52501	109686	94462	78050	49096	67162	89779	72005	70384	65538	1	118964	34698	63663	63292	47798	1	31763	153975	98662	46367	67143	99430	91371	49106	65658	94039	91179	144127	54844	78931	127334	80938	50430	77494	64499	78015	97403	33967	42829	77252	61656	115145	133010	93640	71743	43831	69227	74041	84746	31349	48557	96290	83073	35089	48931	50474	36326	71243	40627	64644	33692	49679	112841	26093	32684	79990	92374	82554	64858	67875	61557	67624	119456	176660	126525	69021	65539	86447	121697	102690	69647	89450	78446	103449	71670	101666	86998	67864	63982	124153	93794	110578	119647	70576	137586	87768	146803	61273	63456	78673	66755	45032	56398	65595	118540	58452	117532	91791	98540	56919	74462	64556	127741
818.0322@0.89000005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14662	13443	1	1	1	1	1	1	10920	13648	1	1	1	1	1	1	1	1	10114	9003	7373	7755	1	1	15323	17027	15392	14577	10681	10950	1	1	13395	12701	11258	11259	1	1	9052	9651	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0004@1.2520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16745	9867	1	1	1	1	1	1	18501	18185	1	1	1	7104	1	1	1	1	18979	14776	8655	9354	1	1	16193	17876	9530	12487	17479	14466	11887	7534	23891	17061	19203	11873	1	1	9925	10721	8668	1	12353	9281	1	1	7492	1	1	6545	1	8174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
554.0305@0.83300006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11334	5755	9864	7172	1	1	9141	10587	1	1	1	1	1	1	1	1	12268	11527	1	1	1	1	8319	8240	1	1	1	1	18126	20232	13001	12776	1	7093	1	1	8320	8350	9329	1	15098	13872	1	1	5840	14721	10934	8143	1	1	11712	6571	18291	19068	15445	16889	1	1	1	1	7267	1	8690	10749	1	1	7982	8611	1	1	1	1	1	1	6616	8175	1	1	1	1	6949	6121	1	1	7210	8835	1	1	1	1	1	1	1	1	1	1	7212	8214	1	1	9583	12069	1	1	1	1	1	1	7903	7126	1	6372	8782	6216	15029	16806	1	1	11062	10162	1	1	8997	8328	1	1	11268	10959	15648	14308	6675	1	11169	10663	14613	16367	1	1	13683	13882	1	1	10066	8773	8971	9659	10526	12394	10252	11097	13416	13970
991.4814@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16897	16287	15034	21547	15952	14528	23517	17703	14109	22518	16665	16093	12017	13285	10979	8002	13123	14969	18034	17695	18042	13762	13060	12007	15759	16915	15675	14377	17233	9317	12042	11377	13329	14470	8053	6056	11146	10828	10793	16294	22190	14070	14919	14467	19140	15863	17129	11622	16417	17495	18352	16582	18111	19708	19547	19284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1071.7433@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19418	23317	21572	20377	14347	14770	22978	21319	24645	22854	21191	21685	15832	13158	25166	28948	28941	32684	22508	12010	7556	9097	7485	7064	10625	12382	19244	21398	9820	13062	15137	16786	13995	18233	26388	29604	17983	17517	23591	23044	40657	38171	25989	30419	35670	35046	28470	36274	22338	27670	31841	36892	31480	33568	38545	34598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H O9 S nullnullnull 2.8908498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41417	36714	39344	87990	108974	47820	95358	38014	50456	55626	39887	45468	35659	65187	147274	98673	55886	125295	95993	24233	51221	155434	70175	89336	67904	52544	79981	78962	71100	219548	104944	137201	180543	74765	1	127133	235671	99218	43618	244212	70550	85939	81205	76481	113181	134528	91256	75888	124209	47412	103740	114043	103412	105736	1	64384	125271	127782	71703	111869	58688	91596	107458	218836	105002	93573	129777	71761	35258	172581	52744	108277	77273	91824	106526	52311	121403	187795	139005	105081	21113	72232	164041	97989	164075	83621	63782	50660	166686	74105	115696	65124	168825	66802	60434	39781	61742	58148	80567	86584	158849	88425	88992	142460	66928	68263	72961	59150	103363	95906	93282	87835	88689	83328	117757	70630	61412	161923	57202	82781	108792	94136	220650	198108	34910	76141	120201	85164	107304	177114	250693	71593	97524	84159	92532	65422	113729	190026	93359	114235	75573	68939	74784	117444	96709	79805	123042	87247	62102	65484	84195	106007
DG(21:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]	14782	12310	17015	8779	9207	10682	12795	10632	12728	10372	12568	9232	12712	14766	11064	9221	15570	8685	10282	11413	9579	12423	11052	11635	11508	10725	1	11800	10193	12145	11835	10830	13191	14645	10762	12651	13280	11708	11022	12591	12133	12098	8666	11643	7959	12521	11841	9919	10428	8647	1	1	16168	14162	12872	8731	12217	12510	17136	18109	19642	20998	18185	21309	15868	19369	20049	18834	19477	18723	8803	10462	10139	10816	17472	17828	17693	17579	22740	20432	14678	11209	18932	17494	21010	20598	6031	7161	12030	10037	6837	13789	12419	10399	14241	11723	13153	13327	17278	20310	15367	14151	19035	20453	17613	17094	18467	18327	19314	14975	16044	17034	21621	22172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
353.0218@0.89599997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7333	7613	9830	9803	17232	17306	6527	7899	9202	7912	6504	6699	20099	18162	1	1	6675	1	1	1	8071	6870	14073	14995	13479	14090	1	1	21261	21038	22615	21301	17301	16780	6242	7940	18954	17793	18466	17440	1	1	19300	19649	10319	11770	10192	10225	1	1	9130	10247	8871	8612	14942	12700	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
648.8651@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11111	13546	12736	10849	11896	11850	12715	13511	13107	13114	14110	17648	12135	11375	14310	10672	16862	15859	16376	11196	8496	7637	10947	8950	10308	11343	14966	14213	19260	18141	14041	14098	19079	19105	11640	10081	21456	16433	16796	16562	12856	14913	12108	13147	14948	16953	15079	14323	15509	14477	12742	14318	15200	15771	16323	14757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
740.8466@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16846	16152	13276	14529	14173	13008	18528	15619	10279	17809	15946	15856	8869	12018	18132	17491	22729	22911	18013	10043	1	9433	13671	12214	13958	10207	11562	11820	14937	14962	15753	15200	21343	10500	10480	16385	19749	17316	16281	16209	18862	22637	14807	19327	13878	18460	15617	11364	24170	21181	16287	17316	16694	19887	21227	16628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
388.0324@4.404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10879	9987	12306	13063	1	1	1	7148	6591	1	1	1	1	1	1	1	8990	11007	8862	1	15764	15420	8869	8539	9978	8400	8701	8063	9370	9234	8922	9431	9243	8480	1	1	10633	10069	9907	10479	12447	13401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H69 N7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6587	8533	8169	7532	9271	9505	7378	8736	7106	1	8151	1	9317	8632	1	8128	8935	8302	1	1	5952	1	8799	11121	9723	10994	6645	7152	11314	9537	7528	9109	9931	8406	7409	1	9041	11381	8400	9373	7582	1	9652	10334	8117	8394	8308	10400	1	1	9883	9445	8338	8485	10919	9580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :37	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46425	46667	43425	45165	48959	44880	45575	47437	44716	37234	41989	38277	41198	39644	35686	41386	37603	21470	29737	32182	34890	35834	38390	37472	36969	35748	64132	38751	37688	38698	43185	38269	39986	31550	34430	39660	38865	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H9 O3 nullnullnull 0.9578438	383188	383065	412876	423012	346560	327813	405920	403856	388529	395577	342783	363505	383755	392040	354874	358977	398604	384056	385327	362700	295516	292292	411389	411265	379384	396219	385192	389288	418696	417989	19420	19492	18225	20519	22907	21732	17859	17936	11052	9985	22829	24536	21499	21593	29650	28573	18377	18039	15914	16658	1	9163	21787	23452	10902	11873	22870	28489	12945	13118	16431	17180	14833	12833	11720	12902	16373	15571	16346	16074	23641	23246	15584	14784	18160	18131	13397	12680	18140	20637	24599	21642	19609	19430	16195	18620	26125	23434	21925	25164	23104	31651	9067	21384	35971	33479	31484	19817	20156	20666	26000	31067	28044	28176	28977	28465	15192	15904	25259	22311	22171	10023	31986	15870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1127.2474@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15718	12935	13122	15301	10480	10825	13937	13348	19896	14359	14179	13674	8782	7563	12346	15666	21157	16629	14294	9099	6527	9468	1	1	11785	12641	10680	14576	9898	9188	11853	14436	16053	13106	14155	16478	18951	14891	17641	18909	18896	20166	19160	21134	19030	20769	20098	18861	15935	20988	16096	17559	20557	19065	22980	17144	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :38	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	41246	43108	41003	40141	41245	39714	32682	37783	35469	35321	34039	30989	35849	32651	19626	25731	28790	53959	32604	32891	33239	32058	30746	31995	34635	34905	34107	36979	34362	35690	31550	33265	35240	34496	31601	32023	34149	35503	29303	32231	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.551@0.86324996	19232	21303	21114	21791	23516	24633	22313	18955	20912	24439	17432	17697	25794	23620	18506	18477	21200	26135	21038	20077	19594	20576	18889	20454	18631	26329	23245	26955	25500	18465	23580	23817	17616	26520	18160	18112	22444	24109	21365	23555	20321	18339	21715	18865	18419	19467	23354	21672	19936	19231	8979	9792	22078	22729	24262	23289	17067	20611	7598	10856	9065	13812	10869	9288	14392	13827	12145	12659	12942	15366	1	1	8511	6820	16490	13845	12074	11027	11376	9336	6966	6129	10531	11791	11503	13087	1	1	7278	10292	12801	8954	6177	1	7659	8650	7471	7230	10108	10506	11261	7349	10947	8741	9243	10350	15631	10957	10240	9263	7558	12311	1	11402	13368	7542	10528	15258	7706	9273	11838	10741	16260	16171	10355	12539	13744	10271	13498	9436	15252	12392	10100	11211	11245	14474	14004	10846	10131	12239	11762	12267	12022	13446	12973	13723	11552	10952	15841	12575	12720	12204	12453	13847	7040	6630	16085	15270	1	1	12784	13578	16802	14562	8933	6871	8084	7684	8577	6157	10902	13946	1	1	8016	9523	10992	12985	7946	8603	6721	8109	9478	1	7577	6759	7026	1	8602	9254	1	7143	6976	1	9123	8817	1	1	9508	7607	6917	7277	13547	15095	6960	8447	1	6251	1	6224
C18 H14 O21 nullnullnull 10.277002 :39	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	38748	41608	43108	41003	40141	41245	39714	32682	37783	35469	35321	34039	30989	36056	32651	19626	25584	29105	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	36863	33114	34717	35674	30306	32023	34149	35503	29303	33846	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :40	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37439	36429	35321	34039	30989	36056	32651	20233	25584	29105	53959	32604	32891	33239	32058	30746	31995	34635	34396	34107	36979	34362	35690	31550	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H13 N2 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12708	12003	1	1	11609	1	12651	11673	1	1	1	1	1	1	12129	12185	1	12337	12330	11694	1	1	13823	11014	1	11794	1	1	11026	1	11555	13020	8308	1	14852	11246	13687	15809	16369	16020	12410	12554	14379	17108	12963	13642	14861	14283	14400	17493	15040	15336	1	10646	14663	15644	15814	15472	16095	16197	14007	16179	15208	15330	16357	15665	14517	14859	15804	15045	15854	14290	15076	15422	13544	16330	16633	16486	16511	14579	16221	13529	15044	16537	16533	14204	15809	15097	16103	15078	15016	15502	16498	14366	11431	14095	14027	16446	16883	17045	14179	17033	17510	17891	8746	1	8527	8886	9958	8903	9339	10117	1	8479	8797	1	7649	9281	8025	8645	8061	8655	7758	8415	6921	8036	1	1	9480	8909	1	1	8381	8746	10049	9181	9610	7817	9601	9310	8757	9053	8257	8826	8664	8868	9249	7932	9547	8782
C16 H3 Cl2 N2 O13 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8237	9948	10111	8794	15706	12878	8255	11249	6816	8897	10294	1	21838	19500	1	1	8683	10120	9475	9105	12458	9539	14934	12838	12058	13877	1	9103	23676	21888	20037	15413	12796	14507	6034	6138	17377	17391	13839	14710	8164	7653	15335	11949	10551	9984	1	8009	7178	7502	11332	13409	9178	6016	8884	8683	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
615.6048@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12386	13737	12194	10013	12224	11910	12145	12694	9846	12172	11369	9719	8141	12763	1	8797	10633	12006	13865	10017	14365	14104	6704	10603	8391	10855	12479	12045	7417	8981	7420	7306	12762	9423	8932	8001	10815	13247	15447	13495	9054	11335	14374	11546	14474	13588	15591	13017	8775	13332	11546	17179	11966	11858	13838	12464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :41	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	37654	40650	43108	41003	40141	41245	39170	32682	37439	35469	35321	34039	30989	35849	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33265	34717	35674	30633	32023	34149	35503	29303	33847	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
142.136@8.0599985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66160	170537	143987	189466	1	140975	190208	35568	1	58757	1	1	25086	152759	23815	111585	1	170395	19385	115761	144203	104257	113219	17106	1	1	46338	127709	107430	35204	66340	146030	1	96286	1	1	122481	68763	223769	239724	50432	33947	80245	138631	32199	223430	1	235302	59765	85669	214505	1	258667	10845	1	13655	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.0132@0.8880002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11902	11597	1	1	1	1	1	1	18815	19452	1	1	1	1	1	1	1	1	11827	11965	10824	9544	1	1	19760	17411	14436	10409	15284	16301	1	1	16433	14038	14634	17898	1	1	1	11663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :42	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	38748	41246	43108	41003	40141	41245	39714	32682	37783	58332	35321	56931	30989	35849	32651	19626	25731	68051	53959	32604	33006	33239	74006	74879	31995	34635	34906	34107	36979	34362	35690	31550	57635	35240	34496	75099	32023	34149	35503	29303	32231	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H18 N4 O12 nullnullnull 10.875017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	175270	163364	256750	185633	67470	144446	62993	306350	168692	161271	89632	182430	198860	192800	88991	115175	96831	39898	70527	101416	87364	106512	67167	85240	62395	18483	75471	61678	86399	131261	93226	59397	71040	42036	64470	20842	68919	91661	75897	65585	84554	108413	99501	73488	101872	113871	105804	33498	68474	79788	104801	48895	66072	89770	147376	104100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H24 N2 O22 nullnullnull 11.926003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140047	80952	175817	95470	73370	75142	106008	146413	151365	160029	180393	105604	49563	172701	73490	76262	50356	86136	78868	33454	46336	113360	109884	70324	92353	91296	30249	24515	28050	75877	128702	77128	44971	75513	21224	63721	52121	24149	89885	39405	31383	93687	100936	29767	146889	76120	136773	40997	59172	79041	90227	151364	82861	44303	112241	92325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
816.3431@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5844	7018	6860	10188	8246	7509	9547	7064	6915	8284	10537	10200	1	1	10222	11745	17673	15181	11598	1	1	1	1	1	1	1	10022	10753	6188	1	7015	1	1	1	7703	8165	8075	7922	8755	9267	15752	12407	9816	9665	10272	9931	11673	11802	18861	20910	10225	11284	11246	11751	12154	11226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
219.9885@1.2519997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7117	6792	8125	8438	15852	15820	1	1	9579	8998	1	6640	17744	19141	10141	6483	9972	7556	6606	1	8638	8435	12144	15598	14573	15928	6574	8345	15175	13316	13935	14716	13535	18439	12793	8396	21411	15214	16616	14682	7555	7624	14506	10443	7831	10163	10851	11597	1	1	9901	7974	8300	7836	1	11892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
425.7265@0.8665915	13790	16810	15649	15683	17355	14483	16609	17345	15239	17179	15476	14143	17945	13113	15748	12838	18642	17044	16638	15170	12461	15547	11551	15361	13740	18304	18075	14171	14658	17076	9869	9622	9635	10137	6732	8732	9322	6541	8895	8952	8752	7676	6007	9468	9089	8758	8751	9021	7217	6380	1	1	9840	11769	8712	7838	9936	8168	12552	11394	12125	11969	10587	7793	11203	11682	10450	12496	12266	13758	6241	6215	6992	7027	10691	10456	9576	9857	13077	13961	8925	7958	11901	8590	10612	10773	5785	5789	5835	5664	7676	6268	9949	9553	6455	5576	8483	8404	11014	8289	10393	9037	12174	12174	10675	11782	11332	9867	11470	11339	13979	10017	10726	12107	8205	6199	8999	7859	1	6451	7478	6824	8880	6798	6704	6751	6265	7005	9442	8374	6402	6736	10497	9518	10976	9285	6100	9080	9714	6280	8953	10366	6777	7445	7988	5987	7191	9142	7125	7773	10520	6688	7720	8119	7774	7713	8173	7287	6534	9174	7957	8977	6173	7490	6176	6298	1	5821	1	5550	1	6368	7333	7138	1	6300	6609	7991	5908	6971	5887	1	6242	1	6128	5602	8327	6449	6883	6148	6401	7476	6677	7376	6522	1	5759	6317	6073	6621	6904	6350	1	1	7293	1	5703	5681	7285	6522
> limit nullnullnull 12.5750065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51407	51900	50064	51078	41362	46334	54366	47934	46888	45130	35764	43863	32864	37975	14384	19890	23749	20258	21093	52940	16693	13663	1	1	1	16028	70163	16830	19592	18297	20286	19333	78119	17480	22813	70120	21795	128281	155575	40333	17825	19977	21817	73424	30755	19683	1	14509	23867	19729	28101	15668	22415	27414	1	24906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
72.0227@1.2480004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51454	45474	59352	52587	107942	110815	38244	32815	34530	39068	44397	37774	125284	140808	40221	36121	50075	53249	60347	65219	114979	113716	117761	123045	109131	112703	50609	52423	168721	177184	122398	132352	142154	135224	37221	43999	147597	154334	135832	142440	66545	64162	132074	122370	59763	80265	71079	79066	40195	44892	70523	82899	70602	75534	108915	90472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.9139@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10870	1	1	1	13926	15759	1	1	1	9747	7803	7149	24278	20159	1	1	1	1	1	1	8510	1	14579	11270	14200	16347	1	8163	17466	11593	10679	8790	12700	11224	1	1	12937	19703	9751	14269	1	1	11976	10920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.7584@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15280	16427	14469	18795	16299	18579	17624	16454	15145	16723	12953	13534	17245	16011	11674	11207	14294	15275	15482	19832	21387	21472	18926	18540	20888	18990	17304	17123	12532	12090	9860	15737	12778	12228	8951	7537	11357	15572	8660	12347	13363	14680	12823	15082	17874	15621	16044	14080	12666	11889	18242	17407	16739	16059	18442	15046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-?-Cyano-?-aminobutyric acid	116631	110499	162587	163531	101082	102819	136156	133073	123219	119028	96851	92235	100258	107767	135792	136270	117047	116232	104251	106779	77405	77676	158111	166574	129841	133562	128377	129500	179873	187843	11693	12446	16246	16604	8309	7864	13588	13251	21856	21937	17476	16813	1	7780	17122	17545	20993	21519	1	1	12706	11802	32233	34607	1	1	27764	26482	29474	25964	44369	43347	68143	59613	31274	29030	35198	35658	36060	36929	78441	83496	32583	28797	32585	29096	24885	21252	25691	31905	68489	66682	53700	59568	38166	37372	113947	116736	117515	118527	76548	76269	50228	52414	91792	92165	70747	74740	35552	34585	107983	102242	53912	52282	53029	51672	36230	34312	62184	63091	51326	45832	81805	72724	30995	30536	36657	38227	31800	30292	36149	39959	20083	18514	28277	31626	42281	46768	37599	39366	32241	34455	38613	40460	37964	39379	26922	26940	43165	41791	34268	33878	44581	44792	27289	24627	41646	37268	22514	22796	33349	32368	32359	32431	51569	46718	25531	19298	56010	58146	53090	50164	36019	34734	12148	10181	10603	1	19994	19764	9053	8132	45790	46141	10256	8677	24421	27503	14287	11254	13182	13197	8230	7577	38792	37430	61158	64424	11017	11441	44586	37803	49694	52030	11568	11910	41665	43512	13506	13728	32450	35454	9891	9878	34347	33029	45359	49847	41459	40030
211.0103@0.9700004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24376	23890	25502	25590	18843	16972	25742	30047	29836	29904	29772	31526	9031	7155	20873	20533	31667	31315	30264	30736	22978	28198	7431	7942	19168	21622	29941	31072	1	1	7304	1	7690	9426	15771	20136	9133	9184	21814	8448	30644	30298	19164	21849	25298	27756	32126	27607	36208	30980	28128	28684	33053	31422	46954	33981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3,5-Dinitroguaiacol nullnullnull 6.8796926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61973	74423	70738	62530	40671	60148	58101	34339	54469	103599	68315	65258	103956	70305	63746	182833	108750	189436	208142	203084	130510	129506	151189	126867	144464	126113	365161	144026	110132	116483	268929	124834	154784	133381	150830	279803	129277	116131	111973	121222	138903	380619	129348	63000	105854	96389	141382	129308	130704	151717	276478	175597	149474	134354	197834	172515	235414	212795	229720	158186	270166	171568	400269	146559	439368	233506	175756	400847	272341	286522	409771	194536	430776	223146	126276	219335	100266	455942	156812	250328	292214	439227	219619	153509	258706	196809	193729	160164	221831	145496	188697	96145	223583	206016	280752	234888	224118	443533	191561	102343	143861	206355	253376	143123	227726	513038	497994	171709	117775	205451	232358	172445	252016	183362	118862	226529	270791	197279	280481	256536	413695	161233	148257	119525	259530	126629	275250	223895	230826	193651	464835	249394	221660	285733	263219	235650	144254	475553	178286	208384	198177	128762	126407	79497	196347	234137	135282	229542	230666	288281	131328	532405
707.6086@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14345	11085	11354	8572	18561	13805	15046	9274	15183	12192	13551	1	14421	11407	8701	1	13557	10300	10725	14037	17237	14533	16954	12271	13590	17717	12056	10934	11560	11732	11260	11120	13396	13594	9237	10513	15177	10865	17909	15210	10625	13742	15661	15293	13617	12577	12864	9982	8593	8845	12080	9235	16309	16157	13886	14065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chaetocin nullnullnull 11.6500025 :43	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38275	41421	35666	40226	41369	61512	37189	42979	45852	38827	44150	37462	1	37757	31146	27639	18900	26995	22305	24403	25270	34347	38960	30507	27676	24476	20380	28546	25525	30423	23086	20537	21081	27094	17193	22013	36655	26072	22283	34871	37355	28916	29691	26094	23957	30033	27332	32566	20850	23173	20547	29726	27353	22017	50048	19825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,4,5-Trichlorophenoxyacetic Acid	22601	11928	14430	8731	12565	13034	13087	8073	14150	18346	16618	12745	11834	8774	10941	15977	9929	11543	9475	8863	12632	13606	6976	11213	8927	10855	13456	11116	8823	10482	27406	27081	22348	22395	28926	28474	25414	24216	19996	22919	25227	24927	43333	37952	31524	27642	28632	29261	48768	53161	49551	49490	26130	27884	43221	45006	21451	18747	83249	81100	83491	83906	155980	159165	60815	60472	64696	70851	55866	55535	130351	130183	144921	146986	79998	80989	68898	26813	29787	36904	70223	86847	95786	109412	55980	56511	145677	154710	185950	201025	197384	204808	272081	284214	272068	267960	244694	247846	105620	109178	252867	242474	156736	150276	149921	151791	64214	61756	142971	144123	124990	118814	234363	165756	22107	23419	23879	18715	16479	14746	15424	15430	33525	35146	22258	17666	21549	22498	15648	18013	20284	20423	16888	17164	21661	20024	16688	17254	15015	17338	18279	18782	21670	18646	19953	19734	24329	24841	22787	23881	18873	15797	25048	25620	12074	14082	29007	28627	9357	9514	18099	14666	20517	23006	14205	12143	23913	27865	32575	35326	42955	41419	18931	18599	34518	35120	26121	25147	39744	41031	24714	26163	51276	46531	15325	16418	13486	11356	33266	38634	14347	15917	16494	15017	37348	38463	20207	17770	41746	39963	15100	17590	29612	32946	19165	19726	9805	12029	19705	18514
226.0035@0.8919995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1115238	1125256	1163422	1195816	2870566	2878244	829413	796167	718798	721198	393638	379259	2988883	2999367	706150	697139	506776	505466	778245	624684	980945	1030513	2450687	2519663	2008643	2118257	12280	372078	3484385	3501004	3006907	3131027	11911	2707203	1207874	1293437	3410718	3422116	13165	2803093	866333	862738	2465202	2418514	1486764	1462174	1251273	1189516	293056	282128	1155846	1205832	1091600	1071270	1	1420695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
895.683@0.8530003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7428	10681	7531	10261	13945	13794	1	1	9816	7157	7273	1	13034	12406	1	1	6722	1	7093	9429	8678	8326	6817	11134	11509	10649	5872	7512	12456	16683	13656	15364	11780	14687	1	1	11637	12509	14554	11812	1	1	8719	11155	7694	7411	1	8099	6877	1	6728	6816	10412	6435	10195	6309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
770.6848@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19917	22628	16341	12772	15987	20175	18532	20106	20498	20447	12333	10915	18981	26167	9665	12283	15019	23127	16773	22376	17827	17346	15265	18602	16601	15189	14489	14407	18992	16544	16167	21473	18162	19302	7318	7760	13316	16270	17403	17797	15029	18435	13832	22718	14681	15870	15613	18715	20197	25362	8858	11040	15603	19887	25464	19715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
559.7303@0.8615426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27302	26343	29137	24727	14724	16024	28165	30768	28354	31682	29018	25520	12579	12467	16338	16244	26290	21774	31848	36158	30943	33014	16833	16232	20673	21245	26715	25204	1	8551	8514	11099	9127	10298	11323	12690	13859	6366	12646	15921	26200	23894	14539	14470	22174	21756	23096	22483	23072	21213	20902	19748	24817	23199	20965	27403	20543	22318	28052	23978	22763	23436	26535	26508	18644	26059	27800	26728	25905	24315	21760	23484	25725	22389	26322	25535	27000	26870	28757	25763	26107	28349	27787	28767	23136	24083	29978	22547	27535	23480	24536	27926	27813	27391	22072	23027	18986	19623	15501	21992	22334	21036	26296	27205	21274	21483	11409	12494	9589	12027	10450	8236	13472	13699	16315	14615	12092	10469	18415	19260	10660	12339	14097	14577	6741	12659	15851	15751	19035	17656	12858	14400	14450	15233	17882	18387	12493	13678	14453	15558	12409	11966	17326	16096	17041	18290	14922	15807	14593	14467	17775	15945
PGS	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17907	21893	14015	13702	14580	13136	15932	16507	17674	15498	16045	13459	15145	14695	1	11116	17540	15590	20673	20036	13129	13359	8491	10243	14423	15521	12996	9318	12009	1	1	10492	11405	10941	1	1	12093	12195	13892	15829	15408	16376	11696	16677	13796	12402	15429	16983	21897	21022	12350	10337	15501	16295	20166	20662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H19 N12 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14120	83333	15987	29873	20329	92958	13616	25203	56832	42383	50187	28527	26196	25079	8540	63096	1	13244	53520	1	58582	18090	20850	38220	53535	1	1	63955	1	51948	1	78151	1	1	1	51690	57235	1	24087	1	29969	1	27673	52403	58090	64170	23473	54520	56108	1	17699	63426	79443	61892	19588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.7854@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35697	47507	43620	45340	48107	45708	47776	52921	48752	48468	37339	41884	57791	56968	46006	58718	64743	52434	52848	26723	23967	19327	43206	36187	39475	43186	36745	36168	73864	80831	69082	71794	75340	77987	54234	55612	87831	91607	71896	61494	64665	55930	72239	62102	49841	52422	63312	50007	60223	61359	59089	53337	51108	55268	64471	64401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H6 N2 O18 S2 nullnullnull 0.7551817	459377	453912	35383	430541	680922	30389	382000	375799	463159	454677	34669	620818	558838	29360	520672	34723	31866	31753	481269	470513	681534	683044	333459	36553	585873	37773	555475	542635	34977	394995	27000	25207	31375	28214	33618	1453408	33940	1465233	1366496	31130	31107	31346	1504328	1507093	1485546	1507466	29041	33479	35805	1615387	37996	38411	38854	1488855	1740829	37977	36841	37670	340386	33541	371485	32395	34878	137367	31891	32351	32439	33283	35636	32251	41100	51657	746359	757810	873227	868996	537934	227087	127694	34797	50413	64074	32041	126906	429359	27946	32507	34921	82923	84078	87722	91287	347585	347852	118830	37193	191014	189717	38148	36479	265845	265599	567575	570704	558256	38377	34962	36467	592847	586260	35611	662741	770995	40114	37168	1002837	1029120	1009081	37576	28701	37769	954804	31779	1122151	949712	952043	38694	40510	37546	40358	980805	990609	39446	39694	948638	964087	980090	33965	958967	44335	955324	43228	964374	967831	36222	1042971	1022250	1003752	37705	1084281	985260	40291	1027968	33349	829418	834251	35420	1034241	794435	769888	42984	909186	37610	39702	1024954	1011006	40005	38257	38295	38152	1317733	1294089	37263	39270	1076667	35323	38637	39444	36420	39632	1096582	41163	38382	40253	41059	35619	653068	40778	31215	37186	37780	839286	37454	35056	36447	1219050	37530	797802	34589	35314	926369	928583	1445372	1390978	953545	988283	37565	38960	38693	41591
134.9986@1.0120013	1	1	1	6985	11730	12394	8103	6620	1	1	1	1	17471	14749	13341	9357	18233	8999	13792	10645	1	1	1	1	8812	1	7743	1	1	1	9858	11437	12722	9755	11715	18225	10729	10430	15794	14688	8057	10877	13898	14310	9038	1	21083	21102	16666	11161	1	1	10197	12113	13474	11705	17578	18071	17167	14983	6646	1	1	1	1	1	1	1	1	1	1	1	10358	12805	1	1	1	1	1	1	1	1	8470	8090	1	1	1	1	1	1	1	1	1	1	9962	9843	7245	7335	6335	9688	1	1	1	1	1	1	1	1	8951	10337	1	1	1	6477	7585	8756	10917	11174	11435	13145	7618	6325	7059	1	1	1	8115	8120	7857	8553	8944	10454	7966	6595	12355	11999	22429	21426	6724	7399	1	1	8921	9069	7887	8913	20362	19446	11494	11834	8302	9392	10272	9169	8239	10001	21549	23139	1	7880	16010	13933	11609	8755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12825	11824	1	1	1	1	1	1
319.9843@0.8860001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17801	20021	1	1	10198	11973	1	1	1	1	11158	12604	18630	18929	9500	10245	1	1	10178	1	1	7788	15645	22310	13544	14322	9086	11328	30188	31319	20810	22004	11271	10455	7358	10385	16186	14127	11843	14175	1	1	9865	9574	10602	11784	10024	7912	7584	11165	13451	13742	14402	16061	16337	11672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.848368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39240	37886	36423	33446	25807	35189	32845	39469	40519	40334	33460	31369	14964	23355	21867	18401	31689	24620	26889	25628	24828	33514	24518	20354	33065	23382	26417	27012	16774	12982	19694	16103	10961	23409	9869	16677	16306	15494	26377	21218	15595	21890	23997	40429	31708	28465	33701	26053	23567	22909	37475	26080	26608	24849	23410	41037	22398	21701	19676	23492	23250	19396	20752	20188	20856	24151	21798	17019	18843	13783	19049	19713	25479	19004	24320	18019	16596	26940	25736	20048	20630	21265	19805	19330	24981	19330	26028	20294	19235	23245	23197	24467	20434	20576	23213	21523	15752	17007	24161	22079	15016	20431	21224	19851	22409	24206	9273	11445	14256	13508	10784	12702	23344	21031	13307	11948	13539	13547	11639	20797	17214	12775	13283	14041	14079	11953	13676	11515	10691	7772	13040	10841	15164	13654	13972	15597	16791	17169	17293	14760	18976	14406	18600	9567	24633	26803	13537	11519	6759	13264	13549	8502
C22 H24 N9 O17 nullnullnull 11.441998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75801	63386	68586	78344	71784	73045	76898	81842	66522	70694	76230	77793	81708	77844	57936	54006	34926	46050	50237	52631	46948	57011	61103	40259	35966	45026	42566	44928	66393	62855	38895	37082	49677	50420	39602	1	67382	46676	46145	49676	45775	1	53084	44351	51387	46808	57153	44547	35482	52351	61764	48431	42882	48624	75032	66169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
299.1211@0.9780003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7257	9966	16059	15782	1	1	7763	8410	1	6898	25265	7657	1	1	1	1	1	1	8246	9481	22959	23837	21371	16856	8393	7158	46854	43885	6031	8123	23824	33868	1	6803	27703	34720	21400	21790	6940	1	25446	25240	11877	11809	7355	7252	1	1	12802	10579	6588	9721	6530	6832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :44	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42106	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	20233	25731	28790	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35119	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H6 N O25 S	30712	28001	25172	24770	45785	45070	22680	23953	27992	28777	42745	42946	38058	37651	33767	33234	25783	27284	34614	33391	46421	50173	20738	19927	37095	36739	34603	34491	21300	22793	105501	109015	106196	104472	114804	112408	113451	110809	102656	101062	113063	103613	115830	116957	112222	112742	101609	105001	121035	132267	111712	114034	106456	105312	130269	129425	105696	105888	34181	34127	39025	34480	26011	24499	45309	41926	42855	39348	39452	38533	26442	22704	68339	63697	71773	69311	47026	20404	17373	17696	17623	19032	22325	25745	33606	33612	24445	22216	25586	25763	24930	24242	19858	28266	29041	28719	15180	36389	65551	68266	38322	38176	53187	53387	56021	52697	73705	76268	53389	53659	60355	56772	74672	54243	61227	66035	65058	67895	56561	57461	61609	61114	69520	68900	63918	63550	59726	62285	57314	57306	64901	64299	58137	59371	60650	59114	61323	61909	62452	61246	56065	55308	63629	59811	68180	66408	66432	64187	66814	70615	59787	63726	70883	65666	46656	48653	71429	73587	49988	49665	59024	59632	67161	68281	74511	71281	78805	74697	67275	68124	101368	95724	50969	50809	77759	80852	80385	82924	83280	79582	70921	71456	91010	93192	55863	53775	42186	40539	74668	76685	50751	52639	48612	51091	82151	82812	50699	49728	79834	84649	59624	58413	105879	100380	58736	60492	48863	50679	58127	57204
PS(22:2(13Z,16Z)/22:1(11Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23476	29428	19848	15221	29398	25506	25290	24531	19828	26458	21283	18238	23603	26048	12426	13250	26670	25029	25675	24272	23451	21736	21073	16756	24649	25818	19457	17802	31602	26582	16237	22383	24767	24278	7991	10519	22937	23223	22928	21210	25186	21387	17366	25269	22869	23323	20893	19812	27590	27613	20381	18793	26369	21018	27930	24027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.86500037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11108	9925	11145	10971	12778	13072	9692	1	8892	7444	11490	7040	12051	12665	7887	7928	12003	10338	8936	11259	14070	12359	13001	10677	15326	12926	1	10075	10562	7982	8160	10459	8260	8327	8388	1	11008	8942	12993	9690	11761	8851	11973	13319	12818	13428	11604	13076	10119	10130	10074	12275	13681	10480	10312	13394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.1622@10.001363	145520	304153	316832	7876	240078	299988	35277	223897	286142	124050	213145	8582	297171	259405	305391	230380	266206	132564	312925	234139	285136	128291	136884	329810	148398	16850	142802	14390	318434	247560	258067	243808	267981	265052	255996	226502	288539	136320	20245	267604	234656	139111	220720	246801	289539	231038	152883	303268	287088	20267	243625	236630	266653	250652	281126	11089	283858	282293	43059	47242	38464	43985	47259	35241	43537	50617	35975	47970	41664	43412	44383	53915	62905	59633	26230	22428	18637	32284	34955	27352	34601	27776	52963	43171	30244	27468	15911	1	20144	20412	23599	20836	21886	30007	36190	33768	38999	36509	39453	39769	27150	31201	47942	32513	29036	31647	32822	44022	41299	40904	29256	29149	666188	42009	31458	27805	34956	32637	63251	44388	40614	35408	31369	25262	37624	37032	33610	16347	57222	40597	27301	26766	33768	52047	40703	52647	30629	17921	55474	14054	27617	28565	39352	30393	38664	28178	47353	45327	49031	35845	34607	31718	39296	42705	36192	42007	55397	55811	39069	38619	40777	30124	25776	33312	108594	115958	111213	115334	129922	130479	131874	116307	128750	108084	127764	131966	116327	121696	92698	104894	109502	106072	90939	107373	111793	91727	111857	107811	104733	107065	100101	93724	106376	110677	97419	97140	108060	105653	95942	105899	118046	106631	108764	107265	105717	108567	109947	118492	108257	114785
> limit nullnullnull 0.84300023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7798	9688	8485	7293	1	1	11534	8737	6720	10883	11780	9881	1	1	13434	14866	18892	16204	9679	1	1	1	1	1	1	1	9408	11311	1	1	6629	1	1	1	7290	12993	6356	10336	7613	8398	18757	16678	8685	13122	15020	13788	14342	14120	19702	17334	15098	13172	14876	15914	19995	18096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 0.8367785	1	6500	1	1	10596	9393	1	1	5781	5893	9615	8399	1	6269	7630	6582	6499	1	6213	5833	9714	10901	1	1	6828	8446	7428	7479	1	1	10702	12024	12331	12723	10238	11986	13031	10785	12449	13185	13573	14563	11529	12166	13013	13074	12906	13187	10744	9794	13315	11756	16158	15151	11458	11295	14290	14007	1	5664	5541	6080	1	1	1	5640	1	7411	6420	8643	1	1	12468	11978	11383	16488	6750	1	1	1	1	1	1	1	7054	8891	1	1	1	1	5476	7025	1	8549	6142	5491	8373	8443	11126	13671	8166	7800	10419	10696	12330	11211	15244	16985	12161	12444	11711	10688	13658	12190	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.352524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	95187	186487	160404	164272	190909	172247	131007	130005	197572	140905	107429	171184	193909	200886	119822	100726	158567	58380	104022	58533	73382	110025	438989	70005	57906	72674	52746	95913	89697	66151	74371	85011	60069	53209	90425	150809	81157	74395	90775	166976	68275	1	115542	51371	51725	101422	110843	15891	113142	84464	86247	169048	132856	19753	195375	1	24289	45119	29917	27072	61092	24421	43607	50376	75479	38459	46986	21686	46474	32282	26507	65401	54100	37595	79673	49952	64983	90493	52166	48259	41736	36888	61420	49289	47408	44997	22171	24992	27440	29527	42861	65858	43140	33091	39177	72928	33385	31813	53260	43204	65344	36179	56221	41484	61594	55580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
469.8981@0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	265134	275618	280468	283848	305485	309346	260729	248273	263548	269386	235048	235993	212277	219073	493565	482722	377084	370159	296527	126864	115461	140903	146234	177784	217999	246288	220174	242768	205191	216066	288835	300035	323073	322891	535528	568557	415654	398422	452117	452392	432381	442119	517420	513637	476287	486213	470336	477822	331446	324871	461461	464004	437386	436920	692117	525133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :45	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37440	36429	35321	34039	30989	36056	32651	19626	25731	28790	53959	32604	32670	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	36863	33114	34717	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :46	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19411	18216	16096	13034	16887	11993	18405	19559	20242	17838	10844	20784	8889	13784	10600	13342	17318	8943	18232	11701	9529	1	5699	9977	12782	11375	10262	14203	10723	14290	16408	17933	15015	14442	11247	12846	19143	13148	15974	12690	10576	13262	17702	16843	15434	16238	16567	18735	12268	11461	12827	16537	17455	14833	12673	14075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
176.0078@0.90217316	11655	6345	13934	11172	9684	6830	13020	9117	11390	6713	9281	1	9357	12744	12671	10149	9833	6891	9942	8722	1	1	12787	11730	8568	8591	1	8544	14828	8707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8248	12361	1	1	1	1	1	1	1	1	1	1	8661	11045	106288	105636	91632	96574	106023	100534	114304	108646	112161	112008	92633	83174	97332	89707	90762	78286	124137	116316	110560	130914	92110	96106	37705	40030	95500	101572	79759	86813	61972	53642	62169	62930	83243	79400	65081	69890	103587	101787	126382	129906	117867	121637	121167	107955	105328	109960	125189	114194	147217	144641	86708	81512	131686	122020	144154	136478	25070	26888	19084	22777	21594	23604	22672	21235	16773	14999	22785	23395	21075	23222	31671	28977	20253	22286	30382	28407	26493	25072	17435	17332	29138	25475	23922	22794	28494	32789	14303	14120	22007	23650	13736	16291	21127	18687	23994	21374	39416	39756	21747	21090	24506	27166	30969	29757	24686	24588	10502	8611	9910	8141	35323	37052	25049	19794	27099	29419	11197	12876	14562	13062	6540	6046	14233	10988	1	1	26036	22152	37719	44893	12989	11200	23551	28618	28978	31964	6752	1	30945	29668	6153	6929	25618	20663	15851	18161	18972	14808	18406	24953	28042	21013
> limit nullnullnull 0.84400046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15336	11101	13461	12793	10507	11706	16960	15371	19092	12467	17482	12581	6138	8150	19247	18805	17876	19678	17870	1	1	1	7570	6243	9044	7938	13363	12421	9604	9680	1	8560	11599	8931	11576	15121	13819	11767	12886	8743	21817	19968	15316	14979	18307	18799	20447	20146	21569	15738	19044	17774	19273	19409	17504	23017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.1441@0.97599995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7045	1	1	6807	6247	6628	6488	1	1	1	1	1	1	7411	1	1	1	1	8120	6695	1	1	7065	1	5902	6283	6744	6929	1	1	6168	6938	7787	5881	13993	8323	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.6704@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26226	26016	24463	23635	20990	25749	24126	25723	30672	29069	18621	25214	28482	20129	16201	14653	29219	28479	31187	30286	17882	23796	23594	17878	25906	20931	20138	26136	24681	19158	21928	20800	13504	20557	10724	7242	17183	25226	23501	13819	25622	25361	19619	21224	18573	24189	23173	26460	27543	27214	15627	19603	26370	21178	26183	25828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H3 Cl3 N2 O6 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17600	21631	22468	20069	19809	18997	22850	23759	22787	21991	18950	18197	13289	10683	12034	10295	17261	16761	21965	28121	22153	26247	15645	11792	15610	13909	17740	18875	11301	14061	6500	7025	5347	10354	10819	8300	1	9344	7958	6168	16310	14549	11942	11945	13894	17493	14466	15534	18141	17113	13488	15621	15405	15143	16680	17227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1180.2527@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14229	15570	14640	13001	12632	10423	13866	13250	14214	12018	12191	11724	9718	9583	17765	15590	16980	19963	15109	9564	7269	7154	7313	1	8213	10402	12901	13286	9167	7527	13790	7758	13184	15330	11469	13431	13345	11491	10123	13306	21036	18192	15392	16003	16062	22125	19205	17775	15596	17814	17170	19413	18601	18997	23075	22213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Lactosylceramide (d18:1/24:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49454	49555	49463	49122	41124	45515	59109	55935	56420	49164	47059	40363	39771	33187	43183	37046	52916	60051	49201	32161	23313	24074	27771	30369	38032	40574	40540	42574	42250	43662	44555	44931	47473	44805	41554	37361	52690	53777	51791	53972	59875	65774	56361	55657	61934	63359	60222	59869	50029	44872	56813	55539	54313	62990	54888	55529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :47	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44151	48722	43188	44894	42803	45487	43628	40763	41629	46395	43482	41948	43237	41983	34802	40071	38951	38802	61361	32700	37675	34929	20323	27713	31420	34871	34338	34696	34908	33293	32633	33654	35401	37703	35989	40653	35639	37968	35015	35427	37128	37456	32664	34387	36994	37657	30603	36854	40760	41216	34466	39842	37131	36557	754343	43816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
574.9059@0.8500002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11404	11868	1	1	1	1	1	1	15694	15005	1	1	1	1	1	1	1	1	15175	17567	12831	14371	1	1	17945	15223	14979	14889	13462	16931	1	1	16644	14421	15323	13556	1	1	12449	12015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H15 Cl3 N7 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10947	14123	9193	1	1	13287	13678	1	11898	18883	1	10152	1	13893	8198	17882	18650	20694	11251	9778	13580	1	1	1	1	11725	17721	9598	1	1	1	9090	9465	1	1	1	1	11876	1	19710	19108	10710	10088	9755	14588	12291	9557	25440	20343	13212	7866	15958	9668	18939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1021.235@0.8510004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10032	9628	12764	11672	9714	8495	8969	8211	10779	9443	11743	13355	10415	12566	1	7270	7671	13235	10487	6329	1	1	6662	6820	8945	10825	10618	8547	13164	14445	12077	11459	14906	11982	8759	6941	11412	13590	10390	9933	1	9906	12182	13194	9076	6188	8584	10385	9448	9613	8058	8521	8885	9036	7443	10332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1005.4575@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13694	16376	13951	14351	14306	12035	12402	9371	15716	17950	13670	13231	11679	10262	11497	8199	18494	16055	14205	18159	20169	13141	14320	7413	16253	15263	15673	13887	7108	8030	10260	8389	10654	11567	9701	7723	7394	6772	11104	15225	14811	13570	13823	12261	14842	17223	14429	16143	15925	14189	14312	15225	14296	19179	21658	18502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
464.7279@0.87000024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6636	7018	8127	5859	13875	11763	1	1	5666	6007	6168	1	17121	15633	1	1	1	1	1	6654	7022	9199	12263	14439	9877	9921	1	1	14463	12282	11224	15367	14102	11631	6163	1	12793	10542	12285	11540	1	1	11887	10367	9915	9290	6562	6400	1	1	8151	8640	7563	6631	8027	13767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1118.25@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14790	13761	19968	18799	13290	12564	18475	18149	24685	21095	18863	20314	8307	15799	18131	14099	26875	27882	20585	13519	8176	9794	1	8917	13241	13223	17006	17472	10361	9147	13221	13525	15623	15105	14450	18404	17936	20437	21326	20823	24814	23750	21562	21029	24332	23332	24775	23916	24548	25256	21089	23342	27716	25828	26846	25797	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.91@0.8899999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19118	17517	1	1	1	1	1	6422	17721	17349	1	1	1	1	1	1	1	1	16550	16713	12295	14696	1	1	14803	13293	15816	16616	15944	15195	1	1	16817	19557	17791	17631	1	1	16678	17420	8870	1	1	1	6435	6137	1	1	1	1	9764	9393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
10-hydroxy-2Z-decenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28009	131934	1	1	1	1	1	140242	64960	67037	180648	128691	21541	46617	27856	45209	77806	200740	72244	1	8036	150126	21015	41743	149869	85129	182105	104114	1	68040	46187	70549	38022	193157	78015	105516	35123	51226	85334	18611	170101	114273	161100	34080	124364	146884	33914	226115	4186620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.0742@11.860703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42238	40694	43681	21348	38632	53618	37493	42631	122255	46213	39717	28172	30845	37002	42450	53215	56373	60312	18045	16243	1	1	1	1	1	30908	44403	46642	66618	34845	36571	36801	16320	55571	61449	77526	1	64560	31003	41707	39601	18338	1	30324	29877	59310	1	44039	39663	37045	45963	14741	17281	30612	1	47585	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.9614@0.8402798	8546	9788	8838	9286	11230	10474	7970	8988	8185	10801	9990	10646	9309	8619	9005	10495	7015	8317	8273	8676	10293	11219	9016	8840	11382	11474	9801	10797	9713	9310	16940	17873	17250	18277	18715	16647	17183	14362	15743	14039	15445	18055	15570	17026	19333	17215	17797	20821	18190	20985	16146	14639	19913	20243	19110	21018	23753	26045	8022	10333	9839	10517	12255	10288	10366	9442	9541	10626	12251	9271	14961	6941	12035	10968	13854	13561	11452	9253	1	8565	11303	9735	14416	11154	8512	9269	12481	13537	11517	14108	11621	11852	1	7964	15887	14367	17740	15413	13777	15839	16112	13857	13543	16905	13220	12011	19056	16549	12976	14452	15155	14792	19668	12714	10840	13040	13644	12745	11771	10807	13411	13925	14391	12828	14309	14579	9608	15220	13962	13206	14242	14020	14787	14849	14955	15028	12928	15210	13398	14190	14571	17370	13931	14331	15697	15287	13546	14472	13614	15671	15893	16145	15119	14490	12397	11990	14103	14747	13891	11661	13740	12984	14595	14177	17687	15585	13745	14230	14375	13410	16625	18554	15305	17450	19988	17122	18190	22091	18866	19180	16217	17043	16885	16478	20150	18771	16658	16434	17081	15072	20316	18795	17939	17330	19068	18065	17783	17072	18833	18107	19444	19245	19923	21438	17673	18495	20905	21866	18686	18082
455.7111@0.8645796	11205	12216	10978	12470	14327	16144	12743	14974	9877	12492	11842	13588	12420	14237	10645	11182	14041	14272	13705	13562	15787	14459	9532	10425	10578	12529	11855	13903	13844	7670	24590	24301	24880	23441	28778	25869	23864	27224	26062	23636	28652	23917	25727	25848	20237	21387	22243	21167	25381	27601	11063	11671	21303	22416	29699	27943	20739	21537	9290	12294	13677	12266	1	5764	15202	15156	16518	14293	14293	13752	1	1	7191	7569	14890	14374	13906	16878	10796	13239	1	7462	8249	1	13672	13279	9008	7630	1	1	1	1	5748	1	1	1	5595	1	13181	10766	5575	1	7921	8889	9391	9912	18506	16587	9446	9683	12263	12091	7355	11329	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Euphornin nullnullnull 9.067408	59905	63312	10383	11592	1	1	19145	19320	42853	39078	17111	18376	30098	30349	44936	46072	22956	20915	28875	33152	20689	23679	26381	27722	18973	21644	139738	144781	33957	34887	124480	131108	66208	67033	138885	142040	110634	98836	169297	164848	172477	176345	55702	58755	317124	295371	130744	141905	51844	55480	13774	15340	181349	180214	14733	15219	59496	59670	18577	18996	17216	18085	17308	17592	33716	30519	10862	9894	1	1	29696	28184	44373	47098	9567	9987	55109	57989	43755	46357	8190	1	11057	11964	1	1	19482	25011	30160	36083	13749	13467	8246	10452	28854	30546	31682	33038	51591	51759	82633	81244	32486	30868	25005	27935	1	1	24813	26310	30039	28267	16158	18005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40121	39424	1	1	1	1	1	1	16579	23852	1	1	1	1	35084	44377	11088	11030	1	1	13939	12989	42118	41509	30118	37747	1	1	27499	27831	1	1	1	1	11795	11811	23536	23873	20721	41349	1	1	22873	23580	26252	11402	1	1	12399	17187	1	1	22727	23455	13317	15475	12450	11961	23652	27526	13414	14933
> limit null 1.133655	1	1	1	1	1	437004	1	12663	1	1	1	1	1	1	70360	1	28644	1	1	27717	1	1	28254	15143	1	1	12387	1	19970	18420	57986	1	64930	102137	1	1	1	80465	57833	6793	202598	1	1	1	1	1	1	1	1	1	1	1	92231	1	76914	1	12010	14832	1	17400	1	1	1	27617	1	1	1	1	1	1	1	1	12193	8869	19119	20150	18478	88304	35309	24568	25004	5561	23640	9437	18357	26672	63980	1	294341	25018	29990	23946	16291	38268	21278	41998	55653	14961	17039	18438	19287	18004	25974	20265	17923	17855	18928	17463	1	9995	16231	29750	22612	18454	1	1	12752	13548	1	1	1	7887	1	44885	12932	12147	9690	10167	1	9271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13906	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
802.1982@1.0540003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10765	12984	10937	1	1	1	1	1	1	1	1	1	11407	13441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12118	15351	17416	16068	1	1	1	1	1	1	13792	15066	11420	11021	14714	15415	1	1	1	1	1	1	12813	12201	11278	10834	15602	12350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.932@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43732	47005	45186	45749	56950	56378	36155	38739	42015	38052	35139	34491	47826	43603	69334	61509	53809	53593	42289	19388	21560	23553	34429	37656	40327	45324	34527	35010	45734	46618	47409	55162	53594	58055	36855	78030	70217	72864	77148	74701	65138	62884	82693	82018	71070	72184	71313	68233	45567	49418	68589	68623	66135	66522	114776	75133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
816.4517@0.9689999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5934	5577	1	1	1	1	10945	12315	1	1	1	7519	1	5531	6006	5589	6305	6587	1	1	1	1	16373	14748	8060	8634	10835	9670	1	1	9096	8414	7020	7791	1	5837	1	1	1	1	1	1	5886	6123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H2 Cl3 N O4 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10957	12875	13370	11028	12068	13657	14655	17143	14678	12278	15787	17036	22669	16353	8593	7248	9208	13417	14862	18463	13833	14685	15671	10155	18714	13900	17880	14916	16499	14047	10521	10540	16443	9586	8272	6955	14086	11674	13321	14599	13498	12739	9995	16044	10204	14545	15296	11377	16328	13834	14537	13216	11074	11676	12399	14173	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
857.3378@0.84223485	12858	12036	12223	13365	13200	11470	14535	13171	13081	12175	10730	11507	14002	11048	12865	11489	12645	10974	11743	12532	8011	8849	14989	13814	12575	11932	11878	14553	13616	16569	9782	8883	10477	12510	9547	9656	9688	11845	10538	7534	8028	11171	12279	11431	10804	10240	9882	9220	9871	8994	8891	9186	9487	9651	13337	14713	9230	9546	9888	6953	10554	9637	1	7331	8672	8821	9633	11581	12350	10819	1	1	12122	13919	13593	15414	9640	1	1	1	1	1	7448	1	11622	10725	1	1	1	8699	8464	10941	9474	10530	1	8737	12334	11879	13728	14804	12753	13048	13212	12611	15177	13067	15505	17371	11793	12478	12175	13535	16990	11117	7124	1	6731	6152	5467	1	7167	1	6249	7282	1	1	6848	5578	5688	6438	6879	1	7502	5468	6059	6209	8308	5896	5470	7267	1	6805	1	6778	5879	6410	7121	1	5758	6793	6761	6909	6217	7458	1	1	5943	6677	1	1	5523	7376	6633	5646	6212	1	6045	5741	6456	5882	6934	7831	5893	6082	5625	6671	6894	6374	7032	6282	1	1	5474	6144	7846	6392	7156	6709	7530	1	7002	1	7684	6698	5568	5809	7420	5941	1	5698	5809	5557	5754	6601	1	7182	7613	7425	1	6169
> limit nullnullnull 0.84299976 :48	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43108	39087	45452	45376	22498	20292	53716	50530	38396	51809	41607	38391	15588	14078	55884	55931	66214	64714	54716	24539	21942	21885	15007	11667	17426	16245	34397	39235	13637	11432	16594	15573	15396	17387	32138	34194	19979	19732	11482	26895	65773	67299	12628	26059	54895	52544	43632	52607	61449	64530	52626	45297	55603	59164	61657	55383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
142.0733@1.021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11827	11406	1	1	1	1	1	1	1	1	11906	10619	1	9063	1	1	10297	12089	6868	7662	14036	16784	1	1	13874	11147	11964	13603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7571	8304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DG(22:1(13Z)/24:0/0:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14385	17095	9028	12064	17434	14213	14008	12669	13434	14454	11305	11821	18490	18253	6785	6473	13480	14406	14883	10799	8376	8770	7688	9905	12378	12382	11582	9346	7533	11671	7966	8955	1	8907	1	6812	11236	11961	16317	13948	14669	11980	10176	12044	9771	10849	14832	11066	16864	15459	10075	7399	12915	14721	16515	15780	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
788.9308@0.8839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21075	21665	22631	24154	52406	48534	13645	14582	17777	18859	25002	22524	51833	50383	20922	21802	23771	22760	17478	1	11268	13037	42024	45816	37008	37993	21594	26289	40471	36806	44886	46127	45659	45144	21398	25514	51369	57465	53788	56423	19619	19776	53618	53150	16523	29700	32279	34839	35456	32189	31921	32975	33809	27750	39836	37667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
670.7969@0.87300014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36424	34511	33813	35253	42063	41869	27666	27226	31352	28346	18280	21370	36944	37029	15689	14566	19521	22487	26743	20612	28919	29419	33501	38547	39343	39864	20248	17145	27432	28712	29880	31163	28970	31484	21009	20824	37021	32910	33557	37455	21028	23778	35074	37044	33330	30857	33897	32675	10957	14682	32324	30098	28770	29390	37096	32949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(16:1(9Z)/0:0) nullnullnull 10.428995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9389	9006	20691	1	10793	10342	1	1	1	1	15904	1	23807	10386	8002	1	7872	1	28536	47263	162494	58274	24869	20508	1	1	1	1	23151	20679	10574	14331	8617	16079	25347	11393	34507	24716	32440	15868	12846	22391	9718	11197	45427	31213	1	1	17762	12667	29237	16461	48457	30733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.7978@0.84382117	141575	137817	144541	135458	124956	119522	141797	145091	135518	135676	132376	127076	126026	124192	131052	134019	127639	134122	134445	138916	116754	115165	146260	139575	126457	134204	129418	121008	137431	146860	67633	65492	65664	64111	62558	63744	60968	66819	75426	78911	62356	65883	57055	62185	62356	65681	75536	73591	48305	51487	67232	60366	88191	81586	47896	45300	77223	80963	16929	23840	21734	25436	43075	40065	24963	23626	21768	19304	15010	18372	48473	41276	11751	16342	12685	17134	18328	15214	17209	15811	29856	29651	23421	28800	15488	13336	60400	64814	49091	59561	59956	59464	45802	46175	67091	69143	55095	45639	17007	1	53147	47132	25589	1	28729	15012	14853	14557	28418	18092	17250	13779	26110	28942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1201.6896@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23916	21062	21954	15805	17937	20402	21745	21306	23904	22568	18907	16497	15715	12756	19221	18793	22372	24102	23980	13552	11717	8261	12132	9408	16632	17826	17905	18428	15016	14315	21361	17100	21908	22512	19459	19971	24945	24625	19031	29613	18369	21937	20261	23090	23651	28405	24019	21538	15631	19438	22722	21281	17358	23216	17723	23054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
422.9495@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18984	17101	14245	15116	30970	29707	10865	12915	11301	12406	16327	13772	43720	44349	9106	1	11307	10447	14989	11654	11574	14123	33006	34174	26857	29794	12999	14129	46991	45852	36173	36483	34695	36901	9080	13954	39356	40140	33722	33748	11427	12106	31095	33518	21259	16069	16263	11863	14542	12970	15519	15988	15663	16688	19891	19222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
973.6899@0.8549998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8856	1	1	7698	11387	11443	1	1	1	7507	6848	1	1	10368	1	1	1	1	1	9087	1	7751	8147	7361	1	9030	9399	6880	15598	1	9875	11408	1	7633	1	1	9341	8353	7961	8337	1	6874	10956	1	8277	1	1	1	7936	1	1	1	1	1	1	9803	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419995 :49	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15965	10202	16134	8122	29674	34567	1	1	6113	1	9489	1	29996	31655	25404	20312	16923	16831	1	1	1	1	24137	23611	21211	22898	11602	9040	34052	31058	35554	32380	33278	33173	22540	35144	40044	38804	40037	19571	24655	20675	39391	38461	34405	28012	28660	25807	13585	13457	33463	31843	24176	24431	46550	33963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
266.1098@0.984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7405	7244	6249	1	9014	10781	5989	1	1	7548	6401	1	16514	15479	1	1	1	1	6218	1	6738	7959	13915	11989	9903	10955	1	1	14912	12320	10913	9780	14489	12543	6676	1	14967	14323	13725	13120	1	6901	12477	10591	7007	7987	7565	8042	1	1	6326	7295	7189	6675	11596	9484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.1019@1.0989997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10726	9794	1	1	1	1	1	1	13612	12687	1	1	1	1	1	1	1	1	10049	12239	8800	10924	1	1	6694	10551	14531	17021	17100	16869	1	1	13652	16662	14678	13626	1	1	12046	10416	1	1	1	1	1	1	1	1	1	1	6980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
247.937@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19010	18775	20128	17551	18087	21126	23053	20555	17672	18841	16512	17163	21542	17386	15756	12450	21000	18349	15248	16212	13065	17493	15115	11924	13293	16341	14596	13349	12477	12365	13768	9998	15592	17574	10544	11950	19079	15476	19247	18972	19964	18935	19935	18742	19592	18765	21815	19569	19212	18940	18397	18617	17584	18903	23427	22347	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
72.0211@4.209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18315	25589	18561	1	1	1	13269	21390	1	1	1	1	1	20513	18599	21140	20761	1	1	22033	1	1	1	1	18398	1	1	14360	24048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Larycitrin 3-(4''-malonylrhamnoside)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29966	31208	28580	31263	28388	26845	30245	41710	27302	27576	27266	30288	36200	28118	17701	19359	17891	17079	18452	1	17434	19208	19237	20674	18399	17044	18948	19464	21766	18999	1	16275	18042	22636	16324	20648	25457	25660	22128	21374	25035	19704	16311	14866	18339	16709	20123	15950	19831	21420	18795	1	23395	1	28947	20784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
320.0649@0.91500014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10865	9892	1	1	1	1	1	1	14668	12298	1	1	1	1	1	1	1	1	11581	11022	9696	10044	1	1	17027	16244	12442	14585	14725	14931	1	1	8995	10163	10742	10339	1	1	13661	10680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :50	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	29105	53959	32604	32891	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	33265	35240	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35534	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86999995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14556	16920	12262	15183	23175	21685	15124	17928	16748	23578	13451	13577	24782	23640	11083	1	14008	14558	20734	17416	21033	19537	22399	16653	23380	21659	12504	13148	16251	20475	15207	14228	15452	20696	1	9515	16096	15388	20328	17587	12563	19401	13221	21074	12617	16506	15742	21940	18144	19697	14189	13953	18507	16473	19226	20547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11179	20820	19441	15638	17108	14390	60956	65279	39242	45433	12338	17729	15020	14336	43330	35143	27255	18860	35535	33462	40395	42530	78518	58465	63308	67491	28926	28544	198017	192429	78188	75259	99445	92724	16240	31816	97149	106172	76805	75753	58085	43786	72038	64919	48677	45477	68876	72242	48773	31963	51032	62068	16709	34702	58761	53778	9772	12365	9322	6669	6185	1	8687	6757	6983	6031	16294	14175	10304	8771	10971	16222	9222	10542	16886	6173	13475	12431	11329	8944	14457	13198	10980	7385	18054	19971	6615	8030	11206	11471	9060	7201	5899	9012	10194	11795	12051	14672	6477	8651	6463	9831	9056	9720	8529	8562	15356	10151	21200	20254	23452	21326	15117	9524	21322	31720	7213	7005	8934	9389	18770	18377	30352	33516	9683	11565	22054	20378	14629	11546	6697	24109	15956	17986	8689	11020	6566	6314	8730	10647	12513	12535	12008	13783	11071	8085	21542	20134	16112	13003	16134	19713
Rifapentine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14823	15109	14387	14060	8328	9304	14620	11488	18314	18508	15128	16923	1	8671	10387	7744	14185	13726	13434	16049	17293	18212	7847	1	13129	8531	12865	12972	1	1	6705	1	8315	1	7554	5677	1	6758	9002	7615	16713	15312	10134	7349	15960	9825	11265	13518	12141	12254	14776	13614	13461	16692	13838	14764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1120.9489@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7396	6919	1	1	16468	15315	6051	1	1	6830	1	1	20163	22013	1	1	5928	1	1	1	1	1	13293	14607	10572	10013	1	1	29239	30226	18421	20272	16994	19266	1	1	24292	24090	15802	16083	1	1	13365	10862	1	1	1	1	1	1	1	1	1	1	6944	7426	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1225.646@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16565	13259	16170	13959	18531	21600	15022	14397	19471	18236	15159	16414	17123	17462	9612	7114	14482	17457	17439	10997	9714	8619	10850	11627	11937	22001	17270	12459	17440	22882	20866	22295	20002	22306	16508	12322	27899	22732	19813	25034	17604	17717	22666	21025	13235	17076	17749	18288	12073	12382	14811	17158	14564	15300	13660	17569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.84347516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33932	30335	34859	33485	23889	25588	39081	37316	37969	36551	35429	33517	16453	16079	30466	31135	37025	39124	39212	23942	18527	18729	14115	16714	20056	20744	29862	32324	17617	18757	19108	17501	16904	17482	24813	22598	16827	22793	19745	23247	38284	39038	23184	23787	34689	32313	32331	32500	38672	37345	33256	29079	36918	34096	39180	35767	37316	36945	34079	33172	39632	39026	35876	39068	29080	33823	38762	35044	37538	38182	37331	38069	41007	42318	40661	39419	37121	37849	38209	36675	42769	38588	40809	38350	38501	37867	36838	34758	38091	40302	34611	35225	39065	41029	34809	34552	39142	39639	32173	35261	41605	41166	40152	37450	31543	33642	35255	36644	35509	35450	37828	37414	36992	36480	46785	48161	38619	39260	46910	45687	47131	42512	43574	45194	34930	35210	52562	49534	44792	48897	42215	44253	51267	48647	53694	53592	42668	38491	49225	50732	43370	41087	53639	50197	40205	39135	48395	47227	51338	50165	52620	49769
533.9311@13.035489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76071	1	1	1	1	138510	502984	576932	417887	1	1	1	1	1	106316	78224	238307	233194	1	1	120655	66892	163853	1	55816	1	57225	41090	1	1	491391	1	1	38341	1	1	1	1	1	1	1	64855	1	44371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	318367	450006	1	1	1	1	1	1	168750	1	1	379904	327186	1	1	280052	1	336342	277598	1	52618	1	1	1	327749	1	1	1	1	1	1	1	1	1	1	1	369723	1	99623	1	1	1	363154	375112	1	1
115.0259@0.88999975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16292	14618	13224	11309	1	7013	9798	9466	1	1	20560	18340	13026	10347	10451	13218	12604	1	1	1	13964	13837	15724	16549	9295	9762	19804	16633	17175	18591	13004	19365	11159	12908	18447	24263	14325	14627	11706	6551	16257	10824	11747	17116	1	1	8834	1	16318	17564	14797	15156	20030	19490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
917.0243@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16495	16095	1	1	1	1	1	1	13942	12396	1	1	1	1	1	1	1	1	10624	11447	1	8109	1	1	16901	17815	14794	14890	12214	12966	1	1	15505	15030	12772	12684	1	1	10380	11743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
912.9178@0.8899997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	110079	156782	148408	237473	114291	124920	121171	121005	127726	115587	119344	132602	84682	109488	106709	145168	58504	190952	139153	68655	202033	118302	146719	99172	138427	99654	97724	138982	162615	177116	721496	139006	151059	74516	134702	121803	111445	100899	452224	96485	121648	111298	134457	128045	133312	131231	115522	99730	108139	96520	105023	112384	116453	241697	195397	103073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :51	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37783	36143	35321	34039	30989	35849	32651	19626	25731	28790	53959	32604	33006	33239	32058	30746	32149	34635	34904	34107	36979	34362	35690	31550	33265	34716	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35118	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
983.4666@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13493	8665	13051	14976	14407	16803	10090	12225	12803	14403	10558	9835	13392	12223	1	1	12683	10371	13286	17307	18213	14843	15009	14052	18028	15949	7283	9928	9145	9884	8461	14469	9581	12116	5763	6839	10752	8778	12862	12102	11269	12151	15308	11388	13923	9619	12573	11824	8045	7425	15070	9082	10350	12098	18152	12545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.956993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112966	92327	114475	98857	144171	190562	38208	123192	206446	100232	115535	212054	105506	51882	88946	121558	63921	55445	54204	81415	147178	62110	123917	158761	38773	68011	54163	54278	65013	113400	57051	54473	43722	76648	56639	83087	86620	70439	73086	86919	65248	60883	129462	136516	82045	58778	67154	66003	61467	91350	80239	66488	118106	65444	77232	66680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
831.5809@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19369	12443	15726	15075	23792	20349	15305	12102	19934	22079	17350	13523	21202	21293	7073	7691	13218	12714	17651	18604	23823	21476	15505	15137	14811	19335	15132	12330	18040	11871	17603	14507	15030	16099	10685	9966	14281	16719	18764	20309	13387	11815	20005	13061	13186	11586	14287	14875	12803	15728	13934	21254	13928	11542	16829	20392	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1018.8242@0.84400034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10114	7251	7146	7288	9849	10178	10801	11457	10287	1	10480	11552	8800	1	9559	12088	16939	18495	10828	1	1	1	1	1	1	8648	7981	11698	7849	10430	9993	10059	14722	13509	7745	8809	15501	15456	15800	15385	17173	15282	9926	13780	10236	13352	10540	11626	18679	16725	12067	13687	15715	16065	20393	12900	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
784.0219@1.1839992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8462	9059	11394	10319	11586	11531	8272	8503	11751	9616	9187	8530	11610	11764	1	1	8032	7677	6941	7281	7694	9268	10277	10411	8349	7627	8747	7753	1	8416	8023	1	10073	9665	1	6740	9672	9289	8073	8579	7250	7618	8476	9265	9225	9396	8388	9440	6543	7418	1	1	7812	1	10318	9548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37989	40029	36066	34770	45391	51622	38325	41123	39909	35257	35079	36476	38211	33768	24779	26058	37653	39869	38697	34700	22655	29568	20251	28189	36036	31614	30639	32389	40122	38007	38937	41675	44523	35185	29855	28210	43647	44193	44057	41614	37721	34145	45492	42009	31096	34659	33318	36208	38030	37473	29652	31781	33228	35117	38584	40721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
916.4141@0.8705276	16773	11942	13383	14790	12300	9183	15466	13114	13522	16048	11992	13927	15677	17718	11040	10965	14964	14178	12826	11973	13077	10533	14396	11499	12918	12679	13389	13628	14306	14202	6761	1	1	1	1	1	1	1	6212	1	1	8393	1	1	5731	1	7473	1	1	1	1	1	7459	7581	1	1	6076	6026	14858	14623	17776	18783	11757	9076	20881	18406	18334	19589	13317	16305	6554	20538	7875	9127	14578	15923	17328	14633	14433	17087	7334	8245	10975	12626	13472	11618	18725	19713	18235	6152	17593	5844	8092	7822	6075	16191	6605	5896	17160	15719	11260	14147	17173	15362	17546	16372	14003	15056	14099	17515	18452	15656	15867	15305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
519.7077@0.862391	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10211	8001	10906	6849	10365	9190	10230	10531	10212	10034	9953	8716	7023	11661	6528	1	10424	9756	12052	9964	6381	8336	9834	10196	12075	10614	9201	8657	8924	10954	10254	8152	10113	10226	1	1	1	7513	10667	8016	11222	1	7674	7945	6640	7397	8895	7104	9606	10539	9292	8035	9262	11571	8103	9088	13004	12277	11740	14423	9642	10442	10445	13497	14765	13272	13369	16884	10144	13888	10368	11372	13610	12734	11398	12271	10371	12415	13537	12345	12360	12711	17192	16098	12003	12701	15066	13972	11181	15422	17001	14483	12823	15982	15772	15430	7586	8020	14773	12123	7468	10736	11593	12076	13108	14174	1	5740	7688	6655	1	1	10608	9786	1	1	8182	6952	11401	10636	7562	6229	1	9728	6692	6479	1	6648	1	1	7401	7710	1	1	1	6927	7175	6156	1	1	1	1	6129	1	10847	11049	1	6303	1	7151	7869	6456
> limit nullnullnull 0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14025	12675	8101	9619	9210	14199	13175	14821	13249	14504	8710	12181	11530	10813	1	1	12067	14286	12988	17133	15391	8507	13228	10126	15058	10162	10218	7633	11100	12478	12674	13324	9058	11007	1	1	11291	13051	12880	8203	11014	9535	7965	8177	8019	9224	9610	10434	12911	14344	9228	9296	9510	10398	9950	12423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.7469@0.86403495	40971	39458	51811	44379	51544	53702	39061	38183	43218	43508	57025	45504	49986	46926	41943	43689	47425	40887	45435	42773	50643	49258	33934	33605	40164	45999	48010	44195	39387	32376	92783	83284	84735	88696	89861	89801	89529	84641	79494	79040	77474	81383	83416	83182	77179	88248	81060	80486	89306	94622	40463	43299	72684	77128	102485	104220	75844	82061	31374	31743	32633	33365	21136	20015	41243	41021	40301	42404	41182	40443	20204	20142	20767	17277	40273	41691	33656	44559	35689	35725	16872	16180	22677	20722	41471	39962	14980	15709	16188	15603	14068	15817	14315	12929	15554	16590	15580	15452	34076	32221	16994	16713	24211	22518	26449	26121	45003	48304	23183	22340	33169	28315	26547	26308	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.8897@0.88400006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10130	9111	11477	9638	26200	29860	1	1	1	1	10346	7127	30922	29055	1	1	10316	1	9088	1	8972	1	21140	23421	22510	21316	11431	9972	24671	28288	26982	30461	32183	34760	14229	17368	34980	36035	38659	37682	1	1	28479	30130	10729	10870	15270	11209	13253	12170	14017	11440	12736	13632	16803	16530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
88.0147@0.9878955	164435	185998	178246	176302	195873	190040	197731	182678	113783	188052	135633	152323	145015	174300	170107	190266	163930	212676	129707	182717	143081	161953	220181	230753	189687	220039	185248	201062	201027	215536	145681	168563	181302	172080	163274	175309	137958	151055	153319	160155	151741	149345	131383	138674	129909	138245	137613	139611	153890	152842	114247	126492	145751	160791	179281	238452	177289	181691	105610	105832	94509	99739	213781	107367	111114	890831	107719	20501	92223	86455	330679	350401	125748	10295	37298	34993	886388	130548	95801	842575	86011	68513	97052	103947	89228	98185	107576	95980	42543	55593	93963	85315	10951	20940	108205	98521	72769	73238	123896	128460	59666	536952	113244	281064	26918	30467	154114	155442	33027	33511	141967	19621	31593	40456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.2258@10.48314	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16140	13166	15796	14846	50688	26926	29478	24897	10779	10742	1	1	1	1	1	1	1	1	12498	11388	27348	25344	11272	11550	20429	21299	10398	12876	15640	13876	1	1	21449	20134	16394	17327	12484	16306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19173	18943	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10456	8884	1	1	1	1	1	1	1	1	1	1	10415	1	12107	11325	1	1	1	1	1	1	1	1	13903	13346	1	1	11946	13697	1	1	1	1	1	1	15980	11534
> limit nullnullnull 0.8460004 :52	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29927	24345	19871	19322	25500	29228	23501	20837	22548	24193	17557	23881	18439	21863	13208	20767	1	19248	25801	17261	17077	14360	17327	18303	18238	19941	14272	16801	16786	22118	25297	30096	20051	26921	21410	16783	22889	26690	24918	26663	26412	24779	25246	22570	22346	32290	30302	27686	13628	15239	24118	28769	24594	25672	37501	27448	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.7653@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10342	6764	12908	11118	13735	12723	9747	16547	16370	13494	12881	13773	19762	18423	6827	6794	12451	10323	18344	17964	12562	14706	14005	14115	8125	8375	14192	9979	13886	19743	15359	11932	10803	13355	6525	1	17682	12572	10570	10704	12850	12386	9888	10359	11827	6164	10243	11996	14337	14575	10537	8752	11684	11828	10714	8501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
814.7173@0.8580001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9637	8825	1	1	8149	1	9397	1	8263	6867	8170	8277	13308	18984	1	1	9783	1	9019	10280	10807	9285	14381	13755	11902	10183	7587	6687	16231	13639	9556	8263	9911	14736	1	1	12229	16116	15351	7570	9638	8706	11224	1	7628	7656	8115	1	1	1	8145	9386	8924	1	9993	10363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
566.0338@1.184	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10860	9770	1	1	1	1	1	1	9393	10283	1	1	1	1	1	1	1	1	6920	1	1	1	1	1	9214	1	7666	8362	8098	1	1	1	8499	7903	6653	6833	1	1	6663	6599	1	1	1	1	1	1	1	1	1	1	1	6219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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743.6356@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16779	20384	13524	17353	23439	28376	23858	19167	25856	20427	11994	18111	27219	23574	11676	9875	22655	17295	20195	25700	19697	20278	21591	19425	21729	27969	18967	19085	22939	24258	17846	18202	20556	22977	7750	6827	18601	17503	21894	15685	12872	18346	14615	16990	10386	13585	24710	14802	24280	23187	11878	16911	20480	19816	17517	21966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
354.1589@12.145002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10552	11305	51529	9386	10608	9237	8753	6671	1	1	1	1	1	1	1	1	1	1	13678	9010	12147	9783	1	1	6903	6547	15758	8706	1	1	12460	6733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84400034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7905	1	6508	9315	7125	10142	7470	6678	6400	7002	6641	7609	14445	11700	9061	11377	10116	11572	6238	1	1	1	8620	6551	7333	1	7273	7502	13959	13191	8049	12689	14846	16357	8815	9601	16547	14218	14994	12787	9730	8785	9747	12577	9295	13413	1	11712	6810	1	12373	8334	10161	10397	17342	12045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1085.2626@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11291	13150	17769	14405	15535	10520	15590	17641	19148	16102	16605	14933	9812	7101	16281	16676	18347	22614	17649	8122	1	1	7998	8319	13010	11767	15435	15588	11453	9729	8253	8590	12152	16859	12156	15959	17816	16701	15589	17623	23647	20541	21584	14604	21899	24610	21407	20716	15721	20913	22596	18568	16465	20816	22763	21112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
698.7638@0.8700003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12131	11320	14705	11373	27283	24368	1	1	12995	9432	7666	1	20399	32017	6583	1	1	1	1	1	10160	13318	22351	25165	18082	14220	1	1	25128	22549	19160	27216	22829	24960	8655	8253	21575	24648	21674	19416	7477	1	15835	17281	11436	1	1	7851	1	1	5984	7501	1	1	8830	11494	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.8886@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112803	86434	88989	96049	34385	52592	95334	87290	111719	112934	127807	93373	41917	56631	41493	57206	110148	93775	91597	102576	75182	66746	34204	32072	50671	53521	69644	99824	32882	26587	41787	36431	37094	44653	25280	23341	39414	52953	62428	37229	122678	84288	65617	61276	103917	70969	83268	75156	97496	98787	96430	95572	101982	87414	53530	59773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H2 N2 O11 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21368	25153	28732	22232	17999	17003	22940	23267	29115	27232	20257	23252	12283	13595	42848	39450	39059	34343	32458	12370	1	1	1	1	12685	14010	17096	22349	1	11484	15285	12616	12862	14611	12278	26223	17390	18026	18665	23202	40594	32384	25253	24932	39051	36447	33975	28708	30608	35792	35728	35449	36005	36072	58720	38961	8106	7207	8870	7616	7961	7626	10979	7814	1	7361	6416	7660	7518	8540	1	1	7838	8943	1	1	7764	1	8818	8911	6608	7599	7861	6908	1	1	10670	9759	6745	6740	9003	9822	8460	7967	8561	6718	1	1	8200	1	7643	7900	1	1	1	7141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
331.9204@0.7929997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10726	11319	1	8556	9674	7453	8091	9376	8685	10116	1	1	8438	8543	6216	1	15457	11594	12087	8235	1	1	1	1	1	1	1	7208	9034	11778	10835	1	9011	8455	1	1	12110	12079	7491	8438	11960	12010	8203	9286	10643	8074	10749	12245	15314	14275	1	1	9312	9121	13699	13667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.0765@0.9389413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9167	1	12353	10083	9383	14349	1	1	1	8913	20377	17665	1	1	12303	12683	14389	8879	11368	17121	30507	37468	24989	16266	1	1	75646	59255	31846	32981	20535	15751	1	10302	23362	23045	38436	33781	16714	19322	32971	32255	7263	1	8003	7979	10970	1	8610	7994	15894	1	8668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12413	13000	1	1	1	1	1	1	1	1	1	1	1	1	14429	16524	1	1	1	1	19665	21934	1	1	12885	16992	1	1	1	1	1	1	1	1	1	1	12369	11534
C17 H3 Cl2 N2 O14 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10389	10989	10150	8270	14485	15471	11783	8308	8251	6583	7357	6624	16873	20705	1	1	6880	1	10234	9114	7437	9421	12516	13401	14394	15658	1	5464	18101	16255	12449	8256	14656	17787	10642	8811	21307	16167	13671	16109	1	1	13454	13120	11767	1	7984	1	1	1	7831	9696	7374	8537	11406	11130	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
619.5595@0.865288	21125	20305	25655	24113	24720	25018	25800	24995	19770	22890	22731	25013	25679	20836	22373	23810	25555	23985	21903	21456	23881	26320	25248	22319	25054	24738	27353	29161	23199	23302	35348	39451	36889	38873	32463	38292	35939	38554	31143	34416	32114	37940	40600	33849	31518	36674	33364	34467	40411	35775	22585	22300	33994	35468	49395	47651	35292	34325	8005	10149	10518	11871	7501	6078	8759	11785	11498	9567	13975	12426	1	1	8125	5646	15213	14004	10900	8586	9441	8351	7025	8132	7058	8394	14174	11829	1	1	8422	6535	7437	8638	6593	1	6530	1	7001	7825	8947	11165	1	7518	7637	9335	7742	8988	12647	14945	8918	10601	8421	9790	6630	9024	18048	18606	23676	23290	10125	12116	18879	21157	27384	28591	17057	18509	21397	19611	18461	20158	21957	20389	18683	19241	17677	19696	20534	22412	19945	22205	21330	20051	20429	18820	26847	22597	22285	22697	28759	29299	22775	20666	24725	23404	8958	7826	30073	26904	9351	8406	20379	17822	27138	27659	11604	10769	14503	13013	10026	9458	25900	27059	8557	8039	14226	14564	23808	20652	16900	14870	13895	11404	15307	16168	11166	8066	9724	8084	15291	12975	8573	8726	8943	9797	15579	16104	6468	1	13399	15330	10129	9861	34835	31925	9893	9878	8593	8733	8814	8273
915.7266@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12286	15478	13367	15363	14619	18409	12127	16818	11968	13269	12406	14959	19193	16302	7891	7425	16198	13159	20596	13185	11505	13996	8439	15281	14516	17301	9732	8417	15416	22026	14084	19106	20259	15241	14966	10969	19234	16569	18628	22152	9082	15371	18143	17442	13536	14296	16866	13801	1	11977	15752	18375	14738	13969	17732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1007.8642@0.88400024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26208	22350	21275	1	1	1	1	10129	8006	24437	24715	1	1	1	1	1	1	1	1	17121	19583	14227	43501	1	1	24251	25230	22646	25200	22860	20595	70963	1	24313	23673	21795	22997	1	1	21467	19144	29379	28630	14038	1	6891	1	1	1	11485	1	10393	14659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1115.6757@0.8499998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13388	10126	11248	10357	13302	13351	12730	14470	15517	9351	6144	11412	11463	13064	6039	1	13187	12025	11989	9159	7386	10317	1	7742	12418	14487	7245	8655	11468	14674	15341	17945	15160	17307	9769	12072	15771	16858	18247	17548	9255	13081	10798	16848	11889	14850	11978	11875	1	9009	10064	10844	13451	8423	11458	12860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
902.4417@0.87146837	13281	10384	10119	14118	17726	13697	15490	13140	14237	16901	15531	15293	14116	17629	11504	15158	15545	15466	15104	14354	14599	11260	12075	13299	15656	12836	14559	12702	15371	12719	13873	12022	15609	13794	10782	9963	13033	10990	12639	12290	11921	14064	10741	9213	10068	9796	14602	13009	8828	9704	1	1	13680	12688	6357	9225	16701	15725	8113	13227	12712	16171	1	6398	20009	18255	16438	18635	14551	18633	12140	12101	9284	9267	15737	13376	15683	14820	9943	12064	1	6899	5877	11070	15733	15836	12685	12498	11535	10110	11256	11866	7469	1	8429	7991	6814	7051	17605	16303	1	1	14637	11630	14564	15856	15302	15686	14857	14053	15096	15094	14047	11510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
261.9877@0.89449006	67712	66673	89117	84430	62233	64463	73713	69783	73583	70904	63806	64888	65610	64510	71200	75162	65665	66544	68188	65495	57987	56047	71315	72621	66890	72508	66537	64249	78114	75651	41680	41219	54102	49524	35053	37412	41908	36321	64617	65553	50585	47237	32948	36463	43279	39135	56858	61744	19947	19269	26509	26383	70044	65902	18473	15694	60124	55389	15469	21213	29727	31481	34307	30533	9633	24712	7344	25088	26670	26592	38485	36285	16303	14823	7907	8217	13811	16529	19053	21877	28683	19731	18517	25293	23264	24185	25162	24416	21533	25484	28759	31008	18978	16762	28378	26069	35209	32569	20423	20360	27959	36105	21472	25163	32459	31380	7575	21184	30296	24124	23528	22430	8309	28920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1007.4583@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20193	22425	22092	15691	21268	21318	21006	14553	19728	22416	13619	14400	17174	18852	9535	9462	20795	20204	23234	24761	20638	23435	15920	17530	19683	21851	17715	12574	13953	17327	18117	17102	19743	19268	9633	8077	16356	12691	17700	16736	20574	20299	18711	18306	17071	21138	20857	18541	20445	18822	16610	19387	17743	16403	25427	25866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.0947@5.8769994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23620	32523	45460	45773	48411	47986	51130	56842	80075	55678	59097	54332	16580	1	1	1	33594	43226	38465	51503	1	1	1	1	39392	62464	31593	35243	17448	28858	31705	45495	12691	1	25710	20636	26095	25774	33332	31885	27833	34641	20824	11466	22428	17202	1	1	1	1	22593	21552	1	1	18826	11415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.0356@1.2560003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11747	10046	8487	9761	1	1	1	1	10853	1	8665	1	9921	11680	12649	1	1	1	11200	8054	8977	1	1	1	13426	15722	9186	10680	1	1	1	1	13563	14062	11281	1	1	1	11733	12339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
538.7583@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13083	13468	12683	12466	15861	10556	13757	13307	13564	16457	12883	14525	13210	15126	7872	9264	14617	15639	15058	13142	13525	17755	14331	15480	15188	15754	14326	15344	10119	9123	7258	7522	15276	13248	1	6249	6213	11968	13454	14389	10708	15016	12693	13476	12796	13884	12026	14963	14952	16770	14945	12735	17769	11956	15596	15203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.2332@0.97900003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6355	1	8085	9020	1	1	1	1	1	1	12616	13149	1	1	1	1	1	1	1	1	10104	10244	9321	10739	1	1	11715	10596	10320	9748	12701	10055	1	1	13220	12734	11188	9979	1	1	9416	9472	6917	6529	1	1	1	1	5886	1	1	1	11331	6497	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
971.5058@0.86851645	7336	1	9794	6370	7164	6570	8945	6282	10209	8245	8167	1	8991	7220	1	1	6832	1	6418	6711	1	1	9060	8917	6165	7859	9335	1	1	7869	1	6831	7983	7801	7671	7632	7422	8513	1	6587	7809	9551	1	1	1	1	8820	6713	7094	1	1	1	1	5932	6602	1	10838	12194	17734	12985	13645	14944	12107	12073	15765	17292	17304	14448	17013	8937	15039	7928	7567	8709	18589	12832	18177	16759	15154	17229	13590	8105	7480	9209	15788	14305	8923	10691	12169	1	10052	13036	6595	1	10563	8074	7975	10214	12322	12736	11485	8142	10159	12676	14064	12798	15423	18565	12064	9941	14789	15726	18714	12871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
973.9454@0.8440004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11079	13867	11630	13592	11874	10450	11947	9569	12131	12715	13944	13031	11227	12015	17629	15533	20050	17159	14328	1	1	1	1	8717	1	10302	14133	13733	15498	19400	15877	16168	15654	14668	9669	13630	16044	16480	17158	19711	16932	18393	17488	17032	14085	15879	15838	14015	21763	19501	15363	15708	16004	16984	18888	19983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
17:0 Cholesteryl ester	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9567	9938	7536	7443	11451	11542	1	6788	1	7319	6494	7819	9508	10662	1	1	8763	8935	9495	6425	1	7151	9881	8771	10755	10121	1	8547	7812	8778	10033	10105	11256	12029	9274	7790	9134	11839	10798	12564	1	9337	16580	12645	9460	10378	10292	10443	1	7697	10909	9647	1	8212	11622	13701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
965.4848@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13855	9716	10613	8655	7749	14109	12713	15357	14985	13752	9523	12958	11351	10979	1	6344	15420	15968	16797	16627	13430	15359	13053	8080	9064	14657	12105	13052	11056	14953	12662	10931	8960	14192	1	6695	11814	8214	8817	11887	15726	12777	11220	11025	11109	11270	9051	10826	16360	13631	10289	13504	9647	15845	15736	12960	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :53	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39714	32682	37783	35469	35321	34039	30989	36056	31802	19626	25731	28790	53959	32604	32670	33239	32058	30746	32149	34635	34904	34107	36979	34362	35690	31550	33265	34716	35674	30306	32023	34149	35503	29303	35216	38966	37382	33829	38047	35118	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8670002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11743	21371	10357	11990	10956	12889	17458	17033	14861	18845	1	15396	1	1	1	1	16536	20392	16907	19539	9624	10752	1	1	11533	13593	13076	10937	1	6636	7757	1	12296	7889	1	1	1	9438	10402	1	10983	14689	1	11750	8138	11477	13104	17528	14271	16369	1	1	13061	16059	19093	18569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.8247@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20593	16648	13684	14169	18353	17162	14397	10439	18645	15402	19884	17086	25355	19939	9122	9526	15839	17619	11931	13115	13048	13424	16022	14995	15916	14475	20950	21803	23496	22806	19291	16979	21330	24474	8002	9607	20918	22278	17958	19122	19988	15830	16733	17202	14449	16682	16157	17014	19528	19849	17724	15337	14873	14768	19063	20431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8726422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9535	13261	11808	11721	9838	9457	14139	13843	14294	12791	14140	14522	7577	7236	11982	9610	15017	16643	13673	9984	9548	11261	6324	6218	11746	10657	14191	13375	7737	7356	5655	1	6227	7917	1	1	5697	1	9196	9583	14642	13474	7739	7841	10053	9512	11483	12706	15730	16558	11076	10272	12031	13526	13622	11626	15508	18187	19536	22278	13934	14357	20747	23237	14543	16557	24485	21936	22192	20436	23107	20682	20910	20739	22743	21589	20903	20605	20067	21902	20879	21913	20941	25767	18376	17530	20826	15423	17512	20070	16769	17526	22829	20344	18735	18808	14202	14682	15394	14752	16072	14036	25421	20117	16771	18880	7418	6736	9113	8378	8572	6843	8253	8616	8998	10288	7400	8318	11522	11509	9718	7932	7461	1	6890	1	11071	11372	10022	12933	7872	1	8242	9618	11765	11310	7768	7178	9132	11192	8430	7177	8215	10564	8578	10998	8234	9111	10358	8494	7439	8644
C16 H26 O3 S nullnullnull 9.988701	142437	312068	298276	252352	243313	294499	223563	224246	272405	226435	128874	221710	301251	250851	282895	280325	300825	133499	327259	239386	6884	299764	136653	247923	256684	138426	238151	241759	320861	242492	296171	231024	269727	145306	255996	226424	295750	136446	284691	258530	234701	276080	224351	147094	250943	273908	316636	5621	264265	241926	33871	237001	151811	17328	282761	262882	329093	34460	23079	31985	40258	39446	37717	31553	32933	43319	39701	32344	33374	45328	39815	40222	66224	59515	23751	20318	31095	19684	27733	26358	22348	24868	53447	43819	23818	24373	1	1	1	16972	18872	19041	19234	26697	31078	29170	31850	31670	53205	33586	33621	24349	45111	23426	37917	32753	28492	36540	35089	31957	25718	25810	598223	39500	26528	24929	34382	32410	62810	47061	40482	35379	31442	32522	38014	37516	33203	31878	59674	27167	58833	27679	33553	52442	40256	56749	32630	33422	58110	51225	33691	28955	54312	34039	41311	30345	47769	44568	48920	35503	27555	33820	39658	42779	37913	43510	55497	61909	38963	55538	40910	39195	25502	37133	105697	116039	112936	119493	134908	129916	122333	110462	52445	107864	127406	125692	113034	121696	115674	104530	111082	105610	90939	107066	111668	91727	111326	107811	106092	100090	86371	93879	106287	109240	94144	97140	107623	112198	141263	110375	118755	108344	109273	107265	105037	108702	110012	116916	108209	94973
899.5981@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14878	18912	14768	13542	14712	20211	19615	18590	17548	15265	13059	1	22503	19846	7729	1	15379	10552	16075	19457	18483	19226	17968	10301	19131	21564	9919	13329	14707	16314	15322	11980	17386	13739	9146	7897	12027	13656	16142	16101	8879	14397	15449	11643	13048	15798	13851	12057	15522	17975	11389	15354	11591	11779	19392	14710	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C34 H72 N13 O2 S	12684	15852	16006	14539	11349	10692	11782	18294	14229	14448	13603	12061	10923	10935	16839	9857	9758	11514	12073	15661	13158	11900	11647	9120	12638	9468	14055	13327	11364	13161	5732	8011	7468	7257	6656	7872	6332	7003	7345	8705	9520	9189	7520	6371	7404	7351	8039	7381	6658	7226	1	1	10788	8639	1	7176	12416	8821	13850	11410	12565	15119	11244	10323	16275	19420	17434	19068	14124	12882	10186	8012	10160	8097	15011	16173	16975	16108	15898	15139	10781	12044	15319	12215	15979	15244	9267	7104	9427	7921	8489	8316	10212	7904	9101	7189	11222	10162	13758	16693	11938	11292	17286	14624	12695	17758	14347	14569	18601	16829	13219	14875	9831	17090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :54	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37440	36429	35321	34039	30989	36056	32651	19626	25584	28790	53959	32604	33006	33239	32058	30746	31995	34635	36376	34107	36979	34362	35690	31550	33265	34554	35674	30306	32023	34149	35503	29303	35216	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.9381@2.8737261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	149711	1	1	1	1	1	1	1	1	123171	69734	79928	52500	53370	104320	50733	69932	71836	99386	109288	1	136095	70782	150124	198229	82344	58004	63062	28363	65353	175834	158347	50842	28958	42070	66248	118049	74027	1	66663	111685	49116	94835	102504	48668	69000	58873	111375	68760	1	1	37738	61114	1	42431	37153	112207	75905	46913	75639	83733	90181	110059	44020	74354	73258	1	50136	82059	165574	92914	33646	32541	42829	1	73829	119592	41678	98971	1	43374	1	83926	79135	32057	78960	82269	56276	1	41060	86343	42774	1	1	117839	1	38237	1	26972	42516	1	116001	72345	69664	63596	61336	1	146489	113301	111475	71248	94136	55154	44735	123124	70218	80457	63843	116662	38396	118039	137413	1	59447	159139	88565	96708	165428	89964	89719	87253	219644	51135	61379	24045	67683	42493	95275	70917	160437	58549	127142	124377	1	50713	52693	170362	116338
685.6776@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11498	8378	7294	6759	8360	1	7853	7092	8587	1	9215	16541	17124	1	1	9646	1	8001	8038	1	1	8855	10437	10215	10246	1	1	20564	14612	11475	11940	10657	1	1	1	12516	11117	15034	10117	8883	1	12568	9181	1	1	1	1	1	8198	1	7387	1	1	1	7524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H4 N4 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19206	18840	23297	22067	20253	20274	21985	21828	22821	21357	22018	21164	17210	22826	14803	12886	20072	21217	22533	21207	22964	21907	24921	22364	24026	22689	19717	21190	19213	19978	20699	17143	22211	21498	14113	16867	27193	6873	6461	6914	22725	20697	24470	24294	24592	24935	23203	26950	19916	21031	21742	25166	21903	25366	37863	31061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
139.994@0.91417533	1	20045	18485	21217	1	16576	16321	17581	24234	12854	21080	9561	17780	22167	1	1	25694	21121	9645	16062	1	1	1	1	22668	1	1	17083	1	1	19932	18192	23120	25478	8594	21617	1	23410	1	1	24172	25317	1	15879	1	1	1	1	1	1	1	1	1	1	23032	22910	25800	24273	17872	15456	1	14952	17197	12181	18566	1	18071	17475	1	1	14960	14334	1	1	20371	20019	21445	20100	1	14993	1	1	14710	1	1	1	1	1	1	1	7017	18439	1	1	16430	1	17339	18863	18970	17148	1	15403	17385	15613	19060	11270	19790	22110	1	1	16770	1	19080	20954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H23 N10 O15 S nullnullnull 11.437006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102780	81122	96147	89634	100240	1	96303	75003	97143	99356	78893	70848	86285	88330	54094	55593	46581	38655	51064	44762	41728	52523	1	46818	36256	43336	42513	46083	47333	1	52105	21594	48823	62276	39226	46378	46136	56048	33347	22148	19200	52356	45520	36940	1	41935	28557	44158	58710	53134	38192	49288	38323	38951	1	20227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
MID51001:Kaempferol 7-methyl ether 3-(6-(E)-3,5-dimethoxy-4-hydroxycinnamoylglucosyl)-(1-2)-[rhamno	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10197	8201	8210	12408	10186	8099	9986	8760	11731	12381	12064	10646	6205	1	13996	13231	13706	16696	10718	1	1	1	1	6514	1	5800	11752	9320	6653	10811	10640	11508	10687	11261	10479	14212	10067	12974	14088	14099	15051	15095	16274	17245	14577	15268	14169	17842	13481	15401	16268	14513	18689	14129	16246	16487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(16:0/18:1(9Z))-15-isoLG pyrrole	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17899	17887	21464	18052	16397	15110	16078	15493	22580	20351	19898	16845	12265	9721	18064	19041	26541	26650	21709	15128	10995	11180	1	13367	14335	17014	17187	21409	13352	13980	17763	17509	13653	16728	23848	24457	18499	18709	24515	21027	26908	28082	30121	29470	28346	27616	22548	21348	28128	25894	19560	25919	24410	23359	26747	24829	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C39 H70 N11 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13769	14241	17431	14842	7942	11537	18233	18571	18398	15874	16666	9707	8901	12371	7856	6224	10875	13657	18806	12795	16496	15740	16618	12672	15159	12871	13754	12477	5319	9273	8439	9155	8118	10352	9969	10401	7155	12062	8138	10433	15392	17069	10439	14157	12660	14719	13799	17713	12107	12488	13202	12202	16455	13993	16356	15442	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
576.1789@0.9759999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10006	8197	1	1	1	1	1	1	10713	11389	1	1	1	1	1	1	6731	1	10708	10654	11404	11091	1	1	15098	15725	15519	14494	11572	10483	1	1	15646	15438	13916	14082	1	6994	13527	13447	1	1	1	1	1	1	8049	8665	9109	6996	12280	6796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.056005 :55	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	197222	205971	317219	160791	228214	570459	116339	110156	619105	135833	110873	187213	186157	132110	114821	145305	159335	148408	196838	64841	41453	41854	1	1	68457	87314	93759	120091	104344	96706	54023	84256	115722	53515	140183	65067	38574	65774	42671	49448	97414	152123	65682	83757	81845	18564	18022	58748	145942	64453	48100	69537	147577	67918	1	110152	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H6 O11 S3	10170	10393	10790	9959	12521	11195	9247	7651	14275	18548	10955	12612	11198	11533	6402	1	16063	12991	11655	12255	9426	8942	7291	1	10573	13199	10700	8969	6670	8053	15924	15662	19045	17045	15390	15022	17005	18719	15721	14597	16970	18385	12931	13487	8990	9199	12166	10633	10372	9926	1	1	15420	12309	21923	20260	19596	19267	13914	13428	8641	9956	16937	12531	13338	13736	14562	13875	11299	9886	14470	13277	7580	8354	20500	21124	19022	19176	12671	9472	1	1	10796	10261	10831	10896	14147	14344	9656	9460	13203	11279	1	1	15110	15893	15915	15894	14762	15142	12869	11639	12049	10670	14795	13392	20643	20841	9124	8556	14473	14902	18594	19699	40677	41459	43609	41095	40751	38738	41491	42673	34008	32981	11428	32199	31845	30217	23594	24123	32565	32508	21601	25430	24749	23959	33836	31696	28156	30749	28551	30119	23067	20928	33636	36347	27053	26190	33265	36146	33688	32784	26164	23782	14812	16401	20818	22480	28601	26556	9649	20293	20470	20874	8055	7754	8172	8933	10459	8520	13545	13149	9241	10284	10929	10892	7711	8957	7125	7675	7152	6720	1	7106	1	7042	8543	6833	8839	8115	1	1	11835	12102	8197	6318	7770	7961	7521	7435	8747	8277	1	1	7631	1	1	1	1	6617
649.9192@13.043553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79760	1	1	1	1	1	1	1	1	1	1	1	1	1	173276	1	1	1	1	1	99391	1	365175	359036	354788	1	1	107016	81594	1	1	1	182870	162310	1	1	285545	1	231442	1	185260	1	1	159399	1	1	292359	1	1	1	1	1	1	1	1	1	1	99585	171984	174513	94563	158000	1	93477	1	69438	97190	111331	80800	64875	1	108506	1	1	1	98909	1	1	1	1	1	74065	66959	77178	75269	78855	1	1	1	1	1	1	1	1	1	1	1	65604	1	1	77662	75251	63230	62120	1	1	190119	227119	1	1	1	1	1	1	70330	106605	293389	267413	201446	119261	171665	192823	153155	279562	50801	263459	161647	1	162814	172851	246976	177698	1	1	1	131046	145735	1	1	1	82679	100440	364655	75622	1	1	61505	102962	284429	304003	266487	1
249.9691@0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2102979	2018954	2100159	2199254	1752587	1730844	2270246	2088009	2195155	2233983	2156682	2173524	1254884	1233579	3042115	3033222	3117407	2965068	2502633	1564459	1257507	1370177	1098719	1181234	1384367	1505456	2147421	2196802	1359973	1345456	1496398	1709334	1544804	1674968	2621350	2625827	1956748	2033519	2190428	2192140	3123035	3160269	2458899	2405221	2894580	2900126	2917953	2880588	3104250	3177934	2867864	2880624	2965185	2996916	3763529	3157779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.761@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14582	14834	17399	18875	9108	9874	23786	22065	25354	22261	19011	17053	16327	13291	11202	9019	12805	11657	18644	20440	17010	15071	9224	12694	11937	10016	20354	14591	12345	11197	10132	11660	9752	11210	8452	9580	9390	8120	12343	9820	14140	15465	11966	12194	12549	10806	11257	13317	22514	20112	10695	12158	12263	15986	13835	11205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H33 N8 O14 S nullnullnull 0.99200034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21812	23223	16978	14839	60805	56103	1	1	9169	7751	1	1	52542	57294	1	7844	10111	9131	9342	8945	17592	18142	27988	27987	48482	44683	1	1	235595	231893	137842	144650	40371	40890	1	1	87530	81655	69539	69854	22333	23224	91220	87391	16674	16722	19253	18921	1	1	40904	42632	29875	27291	30693	26432	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H7 Cl3 N4 O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45923	53409	53221	54421	61540	62388	44302	45304	46336	44773	36476	32367	48863	42496	37584	37116	43314	43244	48281	40759	43223	46604	54608	41424	58801	56554	24243	31708	34924	35209	40292	40192	43613	46893	32588	33049	51539	52257	59682	59031	49953	44435	57686	62338	58970	61670	59846	53845	35662	40892	52432	55750	55622	56130	68144	63021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
882.4913@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11975	11477	9948	11911	6168	8195	13740	14610	14522	14169	14209	13471	1	1	1	6909	11137	14717	15340	18074	12354	12864	1	1	6688	7472	13845	12496	1	1	1	1	6918	1	1	1	1	6283	5631	5922	13599	11408	7124	6203	10984	9261	10240	9144	14636	16653	10905	7777	10743	12525	10175	14342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
487.7767@0.86128944	18308	16263	10322	13340	15517	14271	9644	18520	14172	16504	13217	13734	16661	15025	11661	8505	18093	10673	19947	17274	14041	11273	11272	1	11204	14869	11469	14040	14111	15700	25677	18942	25077	30013	20986	24664	23226	24427	16688	20991	18290	22802	18997	17377	16972	16966	20511	21788	18368	21761	8203	6108	18591	17149	27762	26297	29531	24201	1	7930	8645	8818	9858	11629	9199	6815	16974	11117	10812	9049	18178	14461	1	5896	1	1	8185	14235	12564	7016	8498	13009	10188	8184	1	7100	16111	1	11119	8305	15354	8773	1	1	16267	13498	11625	12020	1	7363	9560	11276	7410	1	7080	1	7563	15731	8833	7914	1	1	7539	9360	13835	13176	13650	13917	9215	13206	15049	15850	15922	16593	16023	16876	16084	12815	16617	14789	12806	18399	11580	15778	14111	17105	18361	18433	14601	17217	16765	19321	12120	12728	15558	20911	13146	16136	23844	18442	17402	13050	20285	16157	10108	8396	16475	16869	7088	8923	15534	13015	16677	17878	6376	7540	8462	8703	7864	6121	9894	10106	7642	6552	8174	5606	11218	10347	7229	8357	6087	9147	7266	9113	1	7598	1	5477	6901	1	1	6860	9295	6412	8569	6330	7845	7892	8468	6616	7243	9156	13168	14248	8668	1	1	1	6961	7971
Crotonaldehyde nullnullnull 1.5569994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20192	10398	19296	19595	66467	60603	45895	43181	19813	21726	1	1	43480	48616	20839	1	27659	23831	41495	23032	48162	58450	67275	66102	87825	84060	29136	25427	100390	94048	82893	85479	45200	50140	1	17801	84702	91828	80833	92151	43645	45206	112772	108213	32229	27671	38629	33596	23156	29152	36977	35742	26244	22521	25491	31825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1323.705@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12318	10029	10371	10904	9734	9433	14936	13047	15920	12054	15396	12709	1	10529	18197	22076	20532	19826	16642	1	1	1	1	1	9187	11315	13173	12513	10196	9588	11797	9772	11915	16028	16441	19533	17850	16825	15488	16889	19576	18633	15833	19201	19166	20468	19671	23077	15104	18901	19924	17041	18342	20546	29658	20389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.1264@6.438719	30138	69065	13205	15268	11941	12285	12984	14022	19686	16472	16520	15529	28990	21937	43708	41681	24256	24736	20643	19012	13869	21285	16329	26143	1	1	1	1	11768	11406	1	1	1	1	1	1	1	1	12505	1	15848	14787	1	1	1	1	13266	15410	1	1	1	1	17902	18337	1	1	1	10125	1	1	13730	14545	1	1	1	1	1	1	1	1	12869	1	14483	1	1	1	1	1	28271	27076	46034	44178	43356	45911	20563	21912	10841	11093	21138	20826	13033	14075	14094	14654	24231	17923	41353	39928	18659	19137	33230	34286	22058	18585	22362	26746	1	1	40264	40292	15473	18468	26642	17363	14593	1	1	1	14391	13405	1	1	1	1	1	1	1	1	13608	13113	1	1	15871	13253	16859	10743	11207	11820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31120	29223	1	1	1	11349	1	1	1	10967	1	1	1	1	1	1	1	1	17822	15700	1	1	24834	23521	1	1	1	1	1	1	15027	14353	18897	19053	14733	14981	1	1	1	1	1	1	11085	11266	1	1	10608	1	1	1	1	1	1	1	13781	1
264.0176@1.2350003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8225	1	8179	10208	11368	10730	1	1	1	7462	1	1	16836	16107	1	1	8923	1	1	1	10349	10690	14624	11543	12784	12173	1	1	56598	13963	14334	13125	14418	14189	1	9761	44238	47822	13667	13402	1	1	13390	11864	11081	10006	12171	9731	1	1	10119	8962	10136	10456	1	12187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
110.0479@0.88399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10437	13581	1	1	1	1	1	1	15266	16540	1	1	1	1	1	1	1	1	10817	13606	11184	10665	1	1	15063	16657	18330	16804	12472	17426	1	1	17897	15315	11662	14053	1	1	13669	13501	1	1	1	1	1	1	1	1	1	1	11189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
610.1159@11.388686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53516	53496	51172	57826	63900	50432	57215	65993	62693	42331	52503	50504	63675	71687	33043	33224	38258	60007	34764	33753	16317	33555	57743	30577	34720	31502	36591	32240	24667	33577	27634	28739	34456	28808	23202	43208	36627	22754	34841	34919	1	39164	40534	28611	39070	30657	36853	33711	33864	59201	34338	47109	30446	34948	55120	22444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20970	19820	16026	1	1	1	1	1	1	1	57073	46193	1	1	1	1	1	1	1	1	1	1	16435	1	15011	1	1	1	1	1	1	1	1	1	1	1	61044	1	1	1	1	1	1	1	1	1
128.0462@4.6554275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	98152	64770	30678	29815	1	28036	38870	47615	40512	118275	19816	99008	34239	46597	12781	24060	47047	30412	1	1	21550	1	109118	37518	170569	27874	37851	20402	139493	64455	18269	76204	92225	31718	1	26936	33072	45699	17108	92784	141742	85023	11215	14429	23542	7749	1	1	1	1	1	1	10025	6607	1	7067	18998	28846	18138	7157	12643	13316	1	20053	1	12512	58066	26168	11140	15469	1	11017	11700	14988	21292	1	1	1	1	33380	12025	1	36925	18080	1	1	15948	13536	48417	14427	1	1	1	1	1	1	1	1	1	1	71381	1	73749	51909	1	1	1	1	1	1	1	1	40550	1	21662	28938	1	1	1	26618	25515	21640	1	1	33935	73566	1	1	73506	81658	1	1	58041	98384	77847	1	32491	1
303.109@0.9148267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13662	13809	1	13005	22807	32248	9506	10938	1	1	10272	7977	13930	11563	8945	8386	1	1	14181	12472	12603	15160	15000	15657	11962	14340	8819	1	28444	26897	12019	13749	17860	17066	7247	1	19432	21734	18672	18120	1	1	52246	48591	15485	14704	1	1	1	1	13467	14859	18007	16197	17988	1	157402	160841	75239	71565	155738	152060	80284	82186	81713	86265	116358	117470	84902	85185	64907	62502	146851	141985	75164	78902	250039	250944	173999	175937	65269	64356	53393	57507	48756	53980	110304	118196	72984	74386	71014	68482	56659	56552	94820	95960	169323	164462	84597	81294	172563	174129	72485	67157	121535	120520	51626	50900	21397	20427	36930	36382	41155	41281	74797	74111	19977	21009	36059	34515	40789	40657	28781	28210	31506	28095	66699	64725	104022	103312	25899	22951	69509	66586	75918	72283	43939	43700	64111	63333	53014	58117	61342	65347	27802	27738	68846	70078	65835	66148	73989	79199
380.9452@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9627	1	1	16459	17244	1	1	1	1	1	1	18328	23285	1	1	1	1	1	1	1	1	13941	12182	13874	14519	1	1	21432	20048	15027	19234	17355	16925	1	1	17704	18889	13958	15760	1	1	11459	16845	1	9607	1	1	1	1	1	1	1	1	9724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
764.5843@13.3828945	24893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22790	1	1	19244	1	1	1	1	1	1	1	1	43900	50735	1	1	1	1	15395	1	21638	21838	40194	1	1	1	27475	1	1	1	19151	11088	1	1	18574	1	19673	1	1	1	1	1	11445	1	9377	30174	18510	54729	1	1	45172	19415	1	1	1	1	1	23347	13017	1	1	1	7904	1	20138	14607	20682	21414	55276	25134	37166	28592	1	1	82191	34362	10717	12935	16628	23059	39552	1	29490	103970	33903	63001	310337	25715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C40 H84 N7 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10847	7035	9208	8322	10778	10355	1	7931	1	6924	1	9020	12479	10909	7145	8689	10469	11456	10646	14788	11463	12038	13125	11062	10279	12616	8773	9736	11368	11323	10429	9650	10171	9380	1	1	10851	10522	6340	10539	10079	7219	9701	11932	7011	9901	1	10324	10987	12876	9964	8487	8314	10522	8275	15015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H8 N O23 S nullnullnull 13.385017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	114543	80312	121520	72357	118898	89353	115053	11288	65874	93728	98391	94015	168330	80287	56135	138385	34027	34769	22596	117052	43658	148347	1	1	1	277146	168431	76205	102977	66942	21625	27952	78710	220149	97712	114444	89747	21265	73148	324115	83914	126387	111393	272854	123154	28551	151215	14059	120125	214533	37286	80121	43379	152971	1	1	150838	52126	272767	48248	72682	85190	200722	62467	138889	19672	154354	88166	202490	192931	64015	56478	26586	11269	216344	223066	87025	88122	14864	160283	48297	20189	30495	59518	40937	199563	18866	136745	9540	154978	25686	8544	44505	26828	10060	127101	250416	85497	128763	1	38607	49511	103416	177262	131882	115174	363792	9789	318820	226486	390205	309602	277170	238488	153190	162123	1	1	1	82086	98444	1	94140	1	270882	91814	1	294142	9395	352742	103497	113047	211098	283514	106031	125940	85582	295457	226554	116930	244889	77319	1	275791	254033	159129	95080	237100	1	1	1	26866
297.0057@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23843	23444	27054	23697	37311	40676	19565	17845	22232	20391	37895	34812	74269	77589	21580	18747	17296	16180	11251	8977	15165	13291	58027	53946	42915	47038	35941	32247	52525	49680	42283	41708	58268	62456	19219	23386	58451	54911	57640	64463	18281	20762	45577	39370	20353	18817	29708	28913	32179	33083	31261	27652	19328	20741	33068	30081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1092.4966@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11142	9934	10711	10968	13642	14942	10808	12634	9837	11470	9849	10425	17101	12011	1	1	9685	10199	14429	13614	12169	10823	13312	11614	14928	12887	1	9343	15109	13327	11235	13317	15197	12239	1	7172	13505	12335	10995	12544	9009	13757	15119	14362	12924	9270	9792	12716	1	11280	11262	11174	11362	15005	16327	11207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dehydrojuvabione nullnullnull 10.32293	65709	50591	35044	40347	42407	45648	39840	47527	56620	42109	51336	60486	57569	61629	46219	32235	150860	59993	61095	61088	56804	75230	39573	44599	45193	48303	41173	43100	46125	39229	34578	27504	50485	58308	35641	50844	62748	57847	26871	55993	71771	77269	47157	53963	43691	57337	71205	59948	31110	31556	50301	27913	93353	84659	36193	27508	75364	79709	26815	26183	39823	36749	22837	17323	37202	35899	14124	13766	22883	23423	27399	11715	40682	40791	34866	33502	35396	33798	70928	79066	128358	61620	47253	43591	36189	36088	16889	17434	23314	19527	19297	21442	32158	41751	28656	10009	47863	42865	64785	68650	41469	38708	50233	48424	73500	56078	22817	22771	70385	65211	38799	40750	470251	51541	48015	52192	55578	55513	84643	92422	41453	44118	34704	39386	41101	40019	47437	45051	42681	43580	42189	43767	45728	49556	50424	52604	50896	49361	30100	32601	31605	33001	17114	30110	43860	42643	39936	40307	31728	28129	51744	53790	38115	37035	123082	121721	34061	33969	83705	75858	35777	37724	49790	44884	35909	45345	40194	41256	57406	56202	48182	47278	51820	45143	91104	65499	107043	96342	38817	31201	36248	35705	39288	39615	35584	50791	69156	63821	55712	58728	20592	46787	43964	42355	30291	50796	27150	27683	44265	39758	88789	26569	32063	52561	48446	44082	80955	37481	37316	23640
> limit nullnullnull 0.8510005 :56	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22559	23114	20243	22423	26426	22598	21137	17936	24369	21254	22270	13999	18504	21516	9041	8284	17361	19234	22996	22427	18075	23890	19976	19359	19477	17865	18634	11206	20006	23237	16966	16269	14709	22615	10951	8733	15432	16258	21738	14702	13163	17822	20619	17858	17108	14138	13845	13605	10545	17721	13181	12772	17946	16423	17628	20118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
948.2879@0.843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9739	11618	11358	12562	9234	9643	9959	12345	11212	13495	14769	14297	1	8826	16409	13431	19563	16987	15436	1	1	1	1	1	1	8791	12273	12021	9449	1	7145	1	8296	12465	12128	12591	14389	13013	18628	14002	16192	16628	14914	15016	15415	16368	16732	16418	19662	18646	17923	19108	16959	17429	20040	19811	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
490.9361@0.85699975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17471	19054	13186	9934	16936	15809	8908	11060	9587	11213	14290	15245	30809	27513	1	1	9877	12152	8084	13984	11307	10914	27466	23058	21891	20330	13721	15948	28097	22736	23594	26335	16940	19682	8376	1	22372	18282	17433	18095	8237	8655	17562	19542	12533	13019	14847	12764	11479	12851	12366	11307	13192	10872	18199	14200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(O-20:0/19:1(9Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13440	14613	15319	13560	14423	15201	15833	18337	19285	17025	14084	15090	9362	16216	6535	10507	14049	15482	19057	14366	12783	11595	15208	14746	16159	19071	16137	13487	8835	1	11426	8031	11603	8769	8059	7804	10864	10519	12938	13270	8500	11307	15577	11860	12608	10380	10827	12150	15941	12958	10877	17029	11133	13469	13506	15286	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :57	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46129	46667	44520	45165	48959	44882	45575	47437	44716	37234	41989	37336	41198	39644	35686	41180	37603	21320	29737	32182	34890	35834	38503	37472	36969	35748	64132	38751	38024	38698	43185	38269	39986	36863	34576	39497	40250	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
750.3442@0.8419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7140	1	1	5766	1	7165	1	6399	7092	6670	1	9627	9307	1	6720	1	1	1	1	1	1	1	1	6794	8083	5805	5899	5796	1	1	8490	8542	8405	6350	7887	8926	8388	8032	6948	9404	8573	8766	10031	6183	8703	6277	1	8201	8317	6493	10046	10726	7310	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
70.0032@6.459769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15823	1	26824	1	1	46438	40479	55146	27046	28961	47364	17145	36932	44651	50686	64793	49861	51011	46250	48078	16808	59009	36990	28023	19680	57012	50227	57714	48398	52013	33210	48812	33266	31052	62641	70669	1	38180	30928	1	45152	29627	52319	38128	24951	10965	1	25989	1	1	48143	24466	27145	44944	1	45914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8400001 :58	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19767	22505	21174	27189	17506	17964	17705	16262	24792	20038	31991	22788	15662	18362	43730	45352	38462	43471	30309	1	1	8658	15768	15401	8369	12590	19286	18825	19071	17455	17195	16534	18506	16568	22004	41794	26583	20931	21890	27146	42541	46338	21717	28920	41392	46400	38578	34470	38372	40283	40921	39618	43362	40721	59847	43557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9333@1.3899999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22330	19593	22940	26741	1	36877	25386	21358	23277	26018	30378	1	1	18201	1	19478	1	28680	25861	26407	30897	18397	21253	26003	28394	33213	1	25944	1	1	18294	1	25539	30520	18104	23893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1184.2863@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13102	12281	11549	15682	9507	10029	16055	14267	17914	12982	14405	16227	8276	10539	12659	13157	19826	18691	13852	7454	1	6972	7625	6318	9945	8042	12159	11019	10382	9056	9963	11166	14063	11434	7908	10285	13668	15306	14034	13754	17204	16512	13975	11577	14214	15368	15626	13890	20925	19776	11328	15338	13702	13930	13641	15974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 10.185711	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35516	10132	15776	19604	36131	19457	11870	26255	10847	13479	21742	14378	43527	9641	25384	44377	43671	27599	16207	20795	25360	27339	53868	34957	38647	55951	23741	34103	17862	18475	28411	20679	28460	19055	13499	12835	29441	28079	25089	22444	22621	23893	22744	16878	24474	46818	30076	27656	28600	30947	29996	27387	33920	27573	1547238	33816	17326	16126	26825	9061	17811	23615	20745	19808	18953	22859	22008	14897	18087	12672	17663	21688	15187	15001	19460	18145	21921	15815	17991	18059	22216	16942	9951	25161	15199	22708	15949	22539	56374	19219	23178	16353	25086	19183	17157	24550	32150	24019	12913	1	20673	14909	32177	12234	11825	30844	75641	58243	66598	67045	41620	41816	32151	36553	71559	56717	84046	94965	101231	50316	72401	39425	76184	74927	46571	53026	53258	45194	43294	49727	56718	46687	61654	45274	36876	51730	41980	34652	35362	50683	40330	53514	50756	44334	26242	24843	61831	48407	68459	95784	46076	52927
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19044	19327	24518	24576	20707	23567	24479	26271	21377	27516	21250	20097	21844	21534	30625	32591	28837	33776	24308	11650	13458	13701	16161	18858	18187	24209	22490	22124	24742	27507	26227	26625	26075	28553	33485	32780	30780	27640	35741	32725	36583	38239	37584	36335	39437	35087	33184	41679	25126	26962	33845	34302	30434	37160	46440	38556	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Se-Methylselenocysteine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85624	22398	75365	71982	112745	113400	22749	67315	21495	25890	52606	55043	168149	165553	23815	92996	31099	28685	33111	43478	72865	73055	114790	116875	104959	105551	58294	55303	198119	198017	152639	165900	155478	164368	104794	99440	186757	189316	147845	151370	77886	78307	127545	124479	107391	110833	99856	88229	33623	32228	90664	93691	88971	81510	112543	95129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
375.9965@0.88699985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14263	14473	10484	9111	35736	39536	7578	7686	7632	1	1	7804	53326	52656	1	1	1	1	7850	1	9410	9965	42615	41592	30767	34062	1	1	48422	44561	38492	44483	46790	43539	10246	9336	43867	43010	44645	40540	1	7149	30235	30098	10450	10951	13415	10373	1	1	12729	14136	11029	11556	11328	11551	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
936.7952@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11469	13489	9623	14375	16627	14627	13871	13898	14960	11532	14444	16034	19864	19516	26890	21964	27143	30394	16378	1	1	1	15205	16054	10946	15524	13876	14418	18271	18943	19423	17701	22593	22633	12570	16478	20677	20604	20416	25412	31584	26226	22889	19882	25523	24461	26397	24260	28503	28255	18372	20117	22219	26051	31069	27335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C3 H4 N2 O2 S	128819	135812	118129	122992	120923	136350	113912	130442	95160	59712	165599	153371	112797	99721	94376	137892	153252	137147	91458	54541	89290	95784	114578	134918	135317	138801	145143	126197	108329	140779	118086	126491	56785	114229	103296	152487	148345	127271	113405	82878	141888	124870	89276	135055	83442	140415	128885	149664	114382	115932	127253	166795	157555	139214	166849	149542	135389	151720	60636	60204	60260	52579	1	56513	1	50287	60730	1	1	57223	52522	55391	46366	1	1	1	48176	1	90980	75247	83393	65245	93052	76626	72025	72462	78200	66754	76049	73289	94639	81931	158932	130045	100265	59758	85698	92357	101782	55479	96724	93511	101573	92270	74836	60171	91328	79356	96199	76468	59066	66786	1	77519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
884.3259@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12576	11534	15625	15720	11278	11261	17115	14485	19457	17405	21262	17236	10248	8111	25130	22490	29028	28393	18658	8189	1	1	1	7343	7735	9866	18545	18828	8322	11229	12275	10999	14777	15031	15851	19705	18394	17001	21217	22009	28714	26256	20924	18778	24499	23538	23469	26500	28680	32761	25251	23445	22956	24759	32272	26344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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583.6421@0.86179644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10559	9493	10523	6736	10215	8432	14417	10040	12480	13522	11039	11874	9340	8039	8183	1	10853	11088	14108	11817	10569	6798	6623	9909	7615	8593	13618	11815	6509	8229	1	10407	11929	8520	6289	7959	10131	12347	8765	10376	12634	9751	10482	9624	11661	8775	14941	13272	14801	11989	11376	11652	12601	9235	14212	9037	15562	16364	19018	18255	12883	10469	16096	16108	17292	21480	17320	16446	18341	16410	14594	17660	19898	17574	16924	16341	13084	17684	19311	20130	18681	16290	16746	17329	18332	17556	20344	20832	19314	17224	22326	21462	18606	18926	19289	18250	9101	10983	19944	19240	10528	9385	18081	18578	17953	20350	8565	6097	7706	8319	6473	7891	15347	14607	6750	1	8626	10561	15953	15615	8822	8838	1	8675	11204	9612	8642	7670	9075	8037	8084	11458	8435	6727	9909	7056	11268	10254	9049	7198	9245	12390	9388	8609	15208	17551	9567	9573	7644	7976	7702	8619
600.1799@0.9839998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9373	7998	1	1	1	1	1	1	9898	10220	1	1	1	1	1	1	1	6487	8460	9567	7421	8089	1	1	11765	11500	9839	11200	8901	8479	7228	1	11891	11195	10406	11150	1	1	11012	11249	6477	1	6947	6472	1	1	7105	1	6246	6464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
110.0368@1.2124524	15185	14788	14186	7907	9852	7840	10388	12521	15413	13327	8123	7866	11660	70461	12762	75713	7820	8394	12087	9480	9043	9124	18115	19004	8989	9812	11212	12760	13118	11905	18930	17125	26107	23252	16586	20887	1	20907	24517	23815	1	18198	1	1	25294	33357	1	20811	1	14142	1	1	33509	36271	1	1	36408	36507	1	1	1	1	14176	13686	1	1	1	1	1	1	7569	1	1	1	1	1	12569	15225	22426	25821	9469	7364	9201	7133	12614	13012	11149	8186	7263	9242	7351	6257	1	1	12004	13100	8250	8584	1	1	15438	16570	1	1	1	1	1	1	1	1	1	1	10461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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772.4035@11.592509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14129	1	1	1	16825	1	1	1	1	1	14471	10190	10790	9028	49500	38469	133353	115066	17757	1	13479	9018	1	1	1	1	1	1	1	1	18441	1	17060	1	19111	8605	33754	14658	1	1	109236	16477	10608	8335	32489	11948	1	1	23460	1	1	1	10769	10531	13409	14388	1	1	1	1	1	1	12384	14305	16466	1	1	1	1	1	1	1	1	1	12092	10714	26673	20204	15731	1	1	1	12221	10850	1	1	1	9984	1	11388	55060	24549	1	1	17743	16100	16244	16351	1	1	16391	14452	16578	10510	27943	21260	10439	1	9926	1	40570	38847	12305	1	1	1	1	1	1	1	9932	1	11742	1	7701	7913	1	1	1	1	1	1	12730	1	1	1	67506	1	8189	1	11209	1	8481	33049	1	1
698.5602@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7504	10794	10485	10401	9953	14859	7362	7768	10029	9063	6951	7847	9867	11521	9252	7169	9038	8029	8681	9403	8592	10721	10127	11291	12070	16920	7956	8590	10703	9339	9641	12365	12741	13430	11556	11478	13216	10651	11055	14567	10955	9024	15569	14447	11408	12957	12382	12077	1	6773	13690	13260	9308	11034	12621	12145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :59	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	35469	35321	34039	30989	36056	32651	19626	25584	29105	53959	32604	33006	33239	32058	30746	31995	34635	34609	34107	36979	34362	35690	31550	32121	35240	35026	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	36099	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
105.9348@0.81100047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33455	38447	37322	32474	36811	32844	43163	37365	29068	32192	21120	31165	44830	39040	11053	26069	24928	10918	25212	37170	31940	38993	32051	16191	35641	28377	35062	30674	41122	36620	37450	41354	37429	31381	41686	33295	35343	42334	40742	36582	32127	35584	25762	41584	38164	35571	28408	37355	33573	24293	34906	31723	34584	19937	1	18474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H3 Cl3 N O6 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13398	11561	15929	13486	11406	13367	1	8533	1	12172	10574	7290	16568	17748	6544	5590	11450	9259	7661	16983	16927	13642	13691	16533	14409	11709	11041	7141	17471	14998	10610	9612	11676	12049	6138	1	12322	12595	10796	12211	9747	1	11164	11632	7561	1	8103	10672	5956	1	8900	6422	8270	5916	12221	11543	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H2 O19	610762	31056	563491	34104	839931	832347	499833	34768	582714	599230	809212	791021	33215	32052	652487	648173	527931	516566	596480	595524	809343	31778	439191	448996	736873	746043	705507	688379	493980	512822	32211	1539962	32822	37283	31565	29642	37447	29834	37033	32703	34367	30312	35646	30822	36633	35507	29393	26431	1711077	1790265	41582	35802	1706832	40484	1916195	44726	1656507	44844	433604	35537	469122	478328	199045	34575	36326	34022	29211	35566	581864	34082	41414	83236	922811	31134	36801	31387	659365	299041	185418	207597	78809	94788	166215	191254	35526	33828	57356	58680	30076	132244	139576	33871	465734	461089	43094	176476	279117	268465	976932	983186	39327	372063	710913	720078	720911	722818	1104275	39706	39862	721985	834737	829569	987912	792322	1179842	1167000	1196659	43372	36794	1111276	46195	43778	43650	41887	1112744	1129745	1155750	1153860	1133571	1116012	43666	1163092	49576	45033	1120259	1126225	1134590	1146369	44054	1113276	44175	1086394	47375	37683	41972	42363	1186898	1190242	43536	41256	50350	44904	42668	41626	988686	972839	1234508	39491	942936	929376	1081206	45921	37967	1230745	1174187	1166838	42712	47298	46834	47042	50501	44885	920158	44102	47591	45582	48709	25742	1416398	1394102	44010	1290899	1484946	1488196	43736	1085898	833088	46359	1385832	45388	45411	46350	47939	44320	41289	42551	962299	44071	1393446	44980	47696	44488	42182	1562426	1150444	1160388	47590	990452	1110391	48724
C8 H2 N2 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14534	11803	40486	40801	10431	11854	16692	26182	29340	47383	14285	16359	1	1	83466	132016	45559	30870	35870	10973	15422	15686	1	31449	1	1	12470	1	1	1	12464	1	1	1	47519	29398	1	1	13427	1	1	18004	14234	1	28906	29168	1	63941	37283	24476	41192	32386	26168	54039	62364	55892	16336	14719	8851	1	11804	1	1	1	1	13707	1	1	10131	1	1	1	12153	1	1	1	18092	21259	1	23812	1	1	1	1	7958	15929	1	20520	8368	10969	7304	1	7641	1	9762	11516	9273	7146	1	1	1	6738	1	7177	1	14190	24751	27137	27074	23095	1	1	28666	28149	22375	24073	26928	30571	28140	25207	42897	34117	33345	27360	30880	32137	30057	25218	24797	25332	27490	35347	26922	25338	23759	23501	36768	34785	1	32032	1	17150	1	1	30769	34171	21389	20350	28469	1	19080	29815
850.3441@0.8381964	8984	11189	9782	11047	10974	9690	10670	8293	9515	9466	12029	11084	14497	10126	9846	11743	8383	8472	9880	9902	12285	12337	6870	7602	10802	10567	9830	10539	8304	10450	21404	19428	22954	22570	21721	22600	25336	23124	19599	18961	23505	24210	25890	25470	25620	23762	21488	24840	28364	27076	25594	23743	25045	22335	33633	30037	25357	22632	7131	8741	8649	7990	1	1	8621	8828	10396	10335	11549	13160	1	1	15768	16501	17798	17775	10700	1	1	1	1	1	1	1	9185	11530	1	1	1	1	1	1	7445	10017	6131	1	9703	11033	18569	17533	11825	10588	15215	16660	18161	13562	18895	18654	16094	16573	17397	14315	20990	16342	1	1	6158	6037	1	1	5878	1	1	1	1	1	1	1	1	1	6121	1	6371	1	7229	6517	1	1	1	1	5865	5863	1	1	1	6383	1	1	1	5773	1	6091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5456	6306	1	1	7920	1	1	1	1	5663	1	1	1	1	1	1	6725	1	6631	1	1	1	1	1	1	1	1	5921	5755	5753	1	1	6226	1	6273	6414	5805	5685
C23 H13 O3 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20723	17638	12622	14840	32071	31467	1	1	10583	9837	20832	22676	45143	45257	16457	17225	13643	14122	1	1	1	1	28454	33794	27661	36248	19931	20804	52551	55414	54876	58126	67263	68009	29290	36969	74137	76514	68839	71715	9970	10697	53783	54501	22490	20155	25975	21788	19395	19392	29356	27927	24305	23080	33133	28774	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1297.7148@0.84110236	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13547	8473	12858	11579	7330	6930	12786	12870	13187	10346	13912	12854	32371	37446	16579	17472	19215	16754	16412	1	1	1	19872	19356	12862	7684	11570	12965	8030	8757	10424	8903	11520	15259	15767	18229	10874	19588	14150	12768	18867	17653	16572	18698	20933	22577	15686	17589	11361	16912	19258	19967	18282	19618	23252	19010	9594	10071	9423	8114	8580	8693	7794	7257	8960	6963	7340	9403	8230	9146	7332	7800	8481	9899	8165	7655	7856	9427	7535	8906	8226	9844	8826	8167	7813	6054	8576	10120	8263	9507	10426	10316	11041	8974	9439	8271	1	6483	8831	7785	8186	6522	8697	8545	7859	7207	7962	5906	7935	8324	7706	6285	9951	10364	1	6279	9139	8264	10413	10045	8793	7927	9458	7045	7861	8632	8266	6968	1	1	8285	7833	7728	6697	6013	1	8063	8223	7284	7447	8142	7863	6389	6399	11947	8821	6515	8133	5488	7167	7921	5970
C4 H2 N2 O	3242902	3336531	3456191	3444983	3716609	3667519	3352853	3324582	3421970	3352137	3450928	3322831	3347478	3548897	3337598	3502727	3427522	3375745	3494505	3494581	3678912	3678461	3213071	3206177	3538196	3711263	3706048	3767184	3421583	3476778	4324225	4217075	4160793	4127051	4205665	4188892	4223061	4248293	4284958	4265175	4168025	4164326	4364779	4444633	4469946	4513103	4311614	4416703	4421768	4380400	3314874	3266252	4421898	4403332	4541059	4498812	4179031	4292424	2641476	2648290	2919082	2999171	1965833	2012207	3227997	3258845	3281725	3299673	3425080	3444223	1605177	1612022	2515096	2476087	3344140	3310255	2885336	2833726	2488336	2597812	1776488	1765872	1996099	2010966	3072197	3095551	1161819	1151725	1	1467555	1555655	1533453	2198377	2148427	1720909	1	2019112	2080036	3536313	3544586	2369501	2341539	3048438	3121867	3224521	3237155	3936167	3927324	3195377	3254172	3423186	3357024	1	3410026	4067948	4066921	4290382	4349660	3075234	3073941	4221979	4193936	4475309	4458396	4325629	4295625	4277595	4302819	4400392	4372933	4352427	4320209	4395681	4368753	4480612	4563729	4410302	4451945	4426226	4457772	4329529	4479565	4510423	4537230	4571246	4554630	4458176	4416619	4740566	4728604	4565186	4488541	4675085	4702011	3295116	3282503	4790890	4772090	3112903	3100175	4496202	4535801	4792682	4863219	2751890	2819420	3003224	2989714	2882864	2878117	4055352	4000483	3071898	3103208	3106117	3163235	4460144	4459679	3514400	3491426	3142879	3084789	3394174	3458333	3275674	3250237	2887005	2857238	3253204	3215047	3055486	3049998	3025744	3008012	3299411	3287156	2776527	2784779	3272799	3381451	3095023	3022723	5012069	5078174	3285413	3197381	2997579	3019782	3171417	3125073
1003.4532@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14431	11521	14277	14342	16698	11239	13953	12997	13409	15070	13480	12718	11297	14204	7597	1	13140	11889	11504	15158	13654	16824	13302	13903	16729	14762	9483	11606	1	1	10144	9901	9724	9937	6860	7724	7623	11081	12391	13717	10952	11646	15288	11714	13080	12602	10831	11459	10464	11382	13581	13082	11402	14164	17775	13040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
692.8394@0.88	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10847	16060	13060	12371	17883	20822	11308	11073	1	12732	8498	1	20684	20131	12940	9530	1	10819	8586	1	12202	10705	17015	16292	15609	15446	1	10968	12678	14529	14583	12601	18669	17399	14925	10831	19945	22162	21376	23413	11832	12627	23848	22591	15909	18522	17447	16098	1	1	17045	13493	16072	15590	22042	21278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
90.0124@0.9551832	72696	64727	68166	74449	81588	78510	69415	72352	86940	74892	86207	88122	73220	76226	64270	65887	83707	79784	75145	77079	74547	80725	59228	65313	89265	93683	80185	90065	72314	65065	106122	101955	98389	95159	101429	101630	98578	100106	75717	71192	97616	100536	91863	93513	77320	77981	79089	77876	100051	105737	88739	90891	74089	79900	131451	115288	97534	92102	93666	99536	81572	87017	92946	92697	106419	99643	100056	100023	90395	97499	85603	87451	90660	90302	108164	115630	112525	105720	97167	112704	72661	74635	89252	94052	102048	103052	71661	69184	74543	72167	93021	93633	100513	102771	100176	101589	104016	108788	115919	122301	96097	93954	114211	115510	113219	121390	132257	123341	92245	94170	112821	110225	136392	127609	92323	86488	93664	79054	92231	109018	87907	85270	92595	76613	84804	76853	86565	92181	79858	71534	80009	102824	79425	73647	79430	79150	104616	97009	87295	81156	85350	81538	78281	85534	105969	98969	92465	96356	90054	108840	85742	91994	84839	91022	82835	74557	94115	83238	100199	99777	85106	83316	79617	74071	73045	77305	80501	88254	82157	81397	75800	81446	54151	63517	91109	89736	70190	74801	92959	77642	107698	100659	88344	95083	104956	98830	90609	86123	90033	102787	73484	74981	100462	115078	86614	90237	108661	106132	88165	90726	87268	106323	77452	78572	87082	90703	84375	74967	85214	88591
804.8359@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20712	20892	20637	23735	21755	21457	20746	23446	14770	16923	21855	17900	20352	19426	26957	27038	19524	27397	14305	7413	7230	9545	13085	15997	18706	19921	22995	20990	19425	16981	18192	21544	26825	27540	24203	26042	26224	29180	37968	38690	28030	27361	38795	35319	27172	29651	27542	31848	29888	25933	29957	27656	31058	30182	36647	33844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H2 Cl N5 O3 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8795	7620	10022	9770	12091	12223	9764	8716	11966	12217	10156	11542	13272	14167	1	1	7792	7350	9916	9076	10571	10320	7840	12380	14256	12138	9799	8084	13484	12724	10296	14379	14344	11268	7647	5765	10293	12698	8884	9432	8262	7415	9493	10530	7412	7007	9686	10088	7817	8062	7943	9623	7328	9329	10208	8111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
GlcN?1-6Ins-1-P-Cer(t18:0/26:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13970	9550	16216	13320	10696	9115	14134	14450	13680	16795	16427	15919	10318	12016	28495	21581	23581	25621	17476	7256	1	1	8064	1	9337	12189	11496	15934	12262	11944	12900	10496	12587	15256	16625	17152	12764	16478	18162	16420	27675	31874	18420	16160	27120	25307	25338	20412	29150	24853	23031	21701	18993	24176	29480	23000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.8214@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18607	24750	16105	17463	19533	21000	16664	15596	17279	17845	17720	17383	17403	15430	22023	22504	23287	17478	12479	7254	8507	10530	15864	13479	15046	19834	12924	15917	25751	22753	20033	20816	18913	25246	18933	21322	20794	19895	30205	24870	27455	25640	27668	29521	27716	23256	26601	29333	14754	15645	25013	26369	23738	27143	36312	24799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
876.8512@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8074	1	16564	16134	7917	6844	1	1	7878	8405	16384	12868	14085	12379	17373	15600	8343	1	1	1	12983	13141	10386	11843	7718	8553	16098	15192	10851	12065	11520	12858	1	1	13269	14218	17596	17959	14264	15026	14463	12466	14640	12499	10802	10328	16908	16754	12032	11728	11677	11259	15941	10313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1136.9161@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13503	11605	1	1	1	1	1	1	16924	19345	1	1	1	1	1	1	1	1	12698	12146	7557	1	1	1	25612	20794	18883	19013	13929	15619	1	1	16282	17376	14821	13173	1	1	9379	1	1	1	1	1	1	6059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1110.2521@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13741	17561	17106	19739	13912	10304	22116	21113	18778	16907	22644	17816	11950	9024	17803	19061	24122	28459	20915	8553	6998	9513	8032	1	11871	11994	19350	16500	8234	10206	9704	16050	14206	14102	12678	15781	17144	13587	17834	21960	26586	21544	15961	18607	21685	23160	22152	18308	25794	20517	20964	20948	25911	24834	25993	24545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
749.7308@0.85	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11458	5479	11031	11283	13855	17481	13587	12406	10764	8031	12552	1	18391	25188	1	1	6740	1	10286	9570	12383	12841	8157	9488	10824	11411	5987	6324	20157	26434	21438	19877	17078	25653	10900	9255	28228	24898	18252	18795	7873	1	17104	12956	7544	6145	8347	1	1	1	5639	1	1	1	7988	9174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14752	11893	14047	13679	16371	12525	16041	14334	12485	9556	13101	14434	19374	21608	21517	25772	20920	17664	16930	6388	7448	6373	14262	10751	17213	16299	13203	10581	24458	23621	18199	17770	20637	22945	23176	22659	22180	21166	21777	22923	22834	20868	23186	22748	21075	23710	25858	19480	17371	17576	24008	20334	20628	20115	34789	24244	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
771.3429@0.84199953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8163	1	5839	6986	1	1	6322	1	5530	6858	6660	7977	1	1	9022	10789	11460	8487	8142	1	1	1	1	1	1	1	7855	7629	1	1	5931	1	7781	1	7273	9865	9468	7615	7929	8638	11488	12674	9977	9562	9819	11574	8950	10836	7834	10074	10323	8875	8240	10158	13540	11030	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1033.2549@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7223	11687	9837	9441	10629	12610	11079	8441	15057	12282	12191	8739	12860	10092	11979	10108	15058	13697	9561	6983	1	1	7512	1	7768	11642	10856	12619	9821	13618	9983	14866	16005	11850	9594	13025	16959	15698	16459	12822	10328	14899	15547	16535	12744	13804	15859	12862	13514	17807	12870	16372	16040	12334	15103	13818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.0307@1.2427893	132707	121332	129443	129804	92687	94747	113391	115518	110950	123015	97881	96330	95385	103377	94308	96468	135790	132552	100859	107271	93285	95269	112524	119707	101183	108943	118342	119805	122568	140201	1	1	1	1	1	1	1	1	10367	9069	1	1	1	1	1	7788	8550	8591	7411	1	1	1	8493	1	1	1	1	19710	12404	12512	12918	12369	13238	13073	10483	11980	9212	8563	7092	7867	14018	13342	13449	8714	12841	12862	16519	37148	54148	46521	43307	34823	52461	12841	37883	33588	26233	21783	33528	25139	22397	16337	8591	18939	19890	15609	19789	20668	13912	12235	16016	17610	17858	17900	15337	13510	13950	11643	23057	18424	14020	12750	20350	22827	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H Cl2 N3 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9986	13268	12302	7564	13436	14075	1	1	7892	10610	17340	14207	17362	16783	7064	7649	8645	8057	1	19511	9111	7292	10957	10429	12552	9510	13428	14386	14006	16763	6772	11843	9551	15268	1	6690	11437	10118	6668	10725	1	8623	12633	10945	1	8602	11918	13048	10122	8835	10181	7100	10002	8618	9820	13933	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H20 N5 O22 nullnullnull 12.146996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51851	73524	80490	74287	87413	69892	77413	79788	65000	74291	83270	71844	86488	81603	39366	42613	28622	26201	35294	35491	49962	47117	57270	50488	76566	40390	51544	55463	33207	44666	35120	34916	39874	37766	38696	34870	59648	44091	47273	41927	53805	41890	54270	42306	38292	37471	63115	41816	26946	42758	65057	32014	49300	41818	71516	36409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0379995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22300	17009	1	20779	20906	11793	22484	20418	27067	20591	22849	24153	17892	17697	14288	1	25667	26172	1	20843	21079	22338	13086	14624	13565	13030	24347	22418	1	1	1	1	1	1	1	15861	17687	17764	17289	1	25481	17142	17199	14941	22707	18833	27069	27064	32811	29453	16638	22435	20400	26733	32417	26305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H6 N2 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7443	6157	7650	7696	11059	10348	1	1	1	1	6455	7510	5555	1	1	1	9257	7235	1	1	6887	1	10529	12852	12798	13308	7917	9056	7942	7092	7120	8498	9014	8113	7400	8305	10843	10668	11723	12631	6292	7566	12138	14221	9884	10837	10076	10405	11472	11933	7226	9217	10344	10457	1	12101	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7281	6729	7593	7679	1	1	1	1	9837	9587	7549	7111	10139	10279	8851	7732	9225	9592	1	1	11732	10316	17516	15775	9140	11122	11630	11531	13659	14606	9724	9962	16168	14124	9088	9039	7976	6963	1	1	7421	7619	12495	10896	10034	10591
611.5195@0.8669999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8491	6046	1	1	1	1	1	1	7468	1	1	1	1	1	1	1	1	1	1	7035	5972	7820	1	1	8219	9359	1	1	1	6953	8566	1	7212	1	7728	7064	7073	1	6097	6669	1	7004	6244	1	1	1	1	6171	1	1	7005	8940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tranilast nullnullnull 7.5769978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15352	1	41706	39717	1	1	1	15527	1	1	20079	21612	39421	38451	24774	21436	45855	44885	40869	43346	103461	96904	99645	103118	127603	125005	34709	36809	26699	28537	42486	36468	29317	28032	1	1	49007	44716	105153	100328	45566	46994	91349	85374	59561	55794	67328	64570	44874	42588	73236	76102	73773	71657	71611	68246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
839.3124@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9059	8691	12687	10726	13870	9652	8753	9152	9898	8573	12315	11184	10068	7633	12106	13118	12489	14057	11964	1	1	1	7550	7046	9844	7341	10816	12382	9138	6304	10987	15231	13754	14998	11337	16315	16172	14769	18701	19855	15355	14095	15117	19293	15842	14910	12880	14991	12263	11656	14278	14086	15349	11563	20544	16668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H28 N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	173459	154678	163141	153042	146612	155559	147214	152511	141128	142090	145950	158943	144560	151159	176303	176240	80947	41301	44072	54350	73270	76235	140187	62911	118829	91779	74139	79199	42131	40943	45229	40716	52705	46467	47608	44490	80738	52755	77204	47862	89547	87776	67291	34296	53736	51743	70839	58706	76741	74776	81019	81813	53753	60114	673296	60936	73105	61283	100586	89157	95706	101546	77037	88194	75315	70820	71248	67128	78795	81310	107739	92086	70825	60959	81914	76597	88470	95975	74210	74374	68253	78594	61827	76197	85884	79477	80260	70275	128215	103782	86823	75664	58008	73055	83850	87286	108974	90689	162137	155977	65488	82639	78850	66793	93376	91794	305968	405899	220845	384970	435821	413088	402900	386220	410967	386636	399419	405703	386382	394555	401206	369738	397072	377848	326737	339083	348036	428852	317058	408116	359336	393867	355472	337349	345202	231324	339058	390761	408555	376615	347450	327261	395472	405519	380968	424044	408246	387185	431295	381259	423184	357725
191.9322@0.83199984	54513	132183	48673	92481	92211	87129	101128	84788	136687	126317	95412	156757	147804	144230	60401	73200	98786	49336	130816	134455	90062	80274	75285	69530	148292	67339	185752	139430	37092	65849	249594	216997	251434	244321	239633	253989	86652	175183	162896	165230	184702	164799	16725	62265	81803	249611	158227	162089	67938	256623	130357	143425	173952	167391	58859	285935	171601	256538	87422	77126	75304	53049	113879	84064	258649	114632	55619	106181	96353	102978	99198	153351	79883	56607	92323	152862	87037	96347	54401	65614	1	23353	59812	39813	131020	129557	124210	1	19766	124113	1	188532	415091	187031	116125	165756	175886	1	169173	78276	111259	142460	102649	84322	126905	71963	124888	91543	137261	128171	169609	202140	22226	62436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(18:1(11Z)/16:0/18:2(9Z,12Z))[iso3]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18078	19003	14563	14439	22340	23175	14203	15581	14770	17314	10178	13998	20853	25610	9118	10315	14868	16006	18477	11533	11812	12070	15751	15714	16389	20496	13070	11008	17813	14844	14393	21568	22862	20402	11890	9805	20799	25368	24136	17659	13023	15153	18248	20910	15142	16825	17278	16706	9817	10827	16933	16772	15648	18573	19523	18850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.97700036 :60	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6224	7687	5792	5678	10672	10306	9105	9800	11610	9598	10648	12797	13768	13134	14747	15210	18315	19306	11495	1	7498	7346	14367	10242	13547	12921	15167	13113	17168	14739	13043	13133	14062	14367	7166	8081	15202	13710	14037	13960	16143	21971	11980	12353	8613	6944	8458	7064	19588	22887	6322	6024	5818	16902	11611	9119	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.0308@1.2539998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10746	1	1	9761	1	1	1	1	10938	1	8665	7800	10835	12411	11355	1	1	1	1	8054	9424	1	1	1	13728	15624	9622	9821	1	1	1	1	13513	13733	9688	1	1	1	11251	10513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H22 N3 O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49542	51944	39860	32889	94046	26907	75319	59696	27064	52683	95098	71711	48966	31441	40588	40055	14572	41174	39502	21665	47400	47223	69580	42470	19639	33735	34775	39036	31163	32096	27101	34492	26397	36601	16328	37757	42926	40123	30182	31863	37435	23405	37908	54968	33048	45787	24874	33311	43375	41418	48658	40627	21954	37203	40143	27242	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DL-3-amino-isobutanoic acid nullnullnull 0.93399936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71196	71593	87018	85774	123286	124215	61581	62572	75505	74063	65680	67173	155454	154747	63376	59295	76705	73245	52344	52480	92738	99145	123841	121823	99458	101999	80747	80347	190935	199126	158375	167291	184498	189692	88318	86733	188845	181974	158884	150852	85653	83157	136223	131614	117955	117743	123050	118948	53208	53334	97078	99162	86831	83633	128593	118164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Acetic acid null 0.88678825	1	40293	39416	42553	1	31732	39753	44911	25473	33739	1	29652	42075	48034	1	41633	33216	31773	17221	32896	30534	31262	21465	41150	37553	42773	38217	34873	43371	42065	403382	362321	711623	664751	471447	524899	390672	384571	891745	904348	388946	454147	475594	491086	482875	495578	877209	642551	223757	205359	224402	236345	980340	951758	233419	230721	743138	736969	11430	1	1	1	11548	17631	1	1	1	1	1	1	17856	16908	7481	1	1	9743	17852	1	36201	14485	28822	21003	36907	47539	1	1	24447	38272	33642	14328	14499	20438	1	17591	22631	8504	10750	21901	28694	51584	18713	13329	7975	16850	25514	29920	36236	23318	41050	55209	52886	7253	29436	13819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
766.5589@0.87003666	8110	6581	8309	8247	6487	7943	6982	7339	5743	8243	8935	6619	9300	9264	8136	8185	8169	8460	8449	7182	1	1	10337	6212	6723	6699	6766	7894	8903	8238	7490	8152	11469	8139	10245	8744	8843	6222	8569	7220	9235	7903	1	9634	1	7348	1	7082	6373	7845	1	1	6716	7640	1	7166	7288	9978	6707	10376	9903	8391	6142	9148	15040	8520	11467	11818	10120	10783	7566	7401	1	6435	13013	12590	7608	12792	10796	14210	8960	7242	8688	11044	13232	8177	1	1	6244	10416	8717	7059	1	7638	7052	10943	7386	9416	12054	12739	11762	8629	10132	10499	11209	10706	11963	10933	11000	11471	9425	11033	9941	9791	8501	6122	9224	8981	6524	1	9049	10740	8813	8088	9878	7229	8670	10467	8376	8179	6920	10710	7430	6802	8705	9620	9149	8509	8288	8625	9309	8528	8597	8794	10619	8599	9817	9559	11598	8078	9613	9050	10003	9342	1	6574	11090	9850	5525	6940	9535	8787	9593	9739	1	1	1	1	1	1	1	1	1	1	1	1	7467	7073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8277	6451	1	1	1	1	1	1
> limit nullnullnull 11.93956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77118	170012	141077	99992	134730	110810	96295	108580	125561	82611	95886	132374	112564	96077	74160	44094	65615	61690	21369	41400	97841	56484	100162	63385	65931	50427	76133	92474	48389	72887	42177	42719	69378	52480	36304	57523	57558	76833	50659	68099	55436	50642	50462	78389	43338	70845	73039	47134	69769	70960	55881	36958	66397	73857	102796	81896	54138	34253	29384	36461	30611	26206	35372	34863	24785	25424	40614	56267	19061	41963	35402	33146	40784	42770	41467	32654	32198	40035	45126	34974	33686	39638	25947	36843	41040	34138	37260	27857	41408	45332	30929	32227	32373	19423	29859	27271	46055	31261	36078	36659	36682	41835	21590	48488	36122	32675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
868.1282@13.380531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9936	8071	1	7277	1	11022	8321	10769	1	8930	9767	1	1	9933	1	9554	11057	9120	11257	12002	9614	16496	14779	12854	12979	14167	12776	12605	13352	15946	14328	14232	15132	13926	13000	15158	12956	15685	14053	15632	14319	15200	16492	17512	15719	13828	13030	15194	13908	13668	14675	15861	15703	13623	14199	13552	13425	13442	15195	14070	15030	13743	14722	14977	14794	15884	14758	14864	14736	16452	15410	11702	10200	10414	11980	12897	14422	14361	13298	13945	14623	10137	1	1	10336	12697	12188	16864	11221	13669	12019	15024	14410	13838	14907	14535	13067	15415	16361	12770	14337	14405	13891	12799	14898	15676	14417	8857	10865	13061	15386	15058	13776	14188	10061	9809	12720
> limit nullnullnull 0.863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12381	12247	18864	18486	18088	16414	12537	14435	20809	18618	7152	8597	15553	19242	8865	1	12358	11676	15445	14314	17043	16490	14443	12474	15240	15594	9228	9388	13281	18343	13421	15911	18337	13266	9645	9559	15763	15530	19737	15777	10719	9267	20177	17629	13477	10937	14728	16351	1	1	16822	14782	17707	11541	16053	17110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1169.9681@0.8880002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12599	10293	1	1	1	1	1	1	10774	11394	1	1	1	1	1	1	1	1	9279	9478	1	8494	1	1	13823	11174	11027	12912	10763	9603	1	1	13518	11107	13308	11296	1	1	11118	8149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.9144@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17408	14866	14364	15445	9852	10510	14056	14053	14907	14114	18410	14494	13165	12003	11923	11682	11946	14947	11986	15901	16725	16612	13347	10354	12488	12007	14990	12985	8916	8953	9255	9131	9716	11099	8369	10591	11361	8170	13056	8752	11771	13546	9944	10831	11544	12946	12610	11634	12785	11180	14738	13437	10760	13868	14813	13131	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
417.9821@0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43226	43821	17084	16054	30664	34704	15291	9856	12785	15427	34912	37065	35846	37972	15697	13864	17035	16074	21608	21844	25564	23072	51949	53012	37083	41344	35069	30351	73345	69543	55171	53602	32971	30058	11363	15150	37015	33662	33047	35581	9535	1	26267	26079	18052	17981	18204	19261	21424	19902	20536	21988	27613	26307	22504	23498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
656.1144@1.5546656	6664	8546	10646	10518	1	6607	10647	12622	11136	12406	1	6506	10349	10067	10783	9264	6881	8039	9734	9000	1	1	15846	17283	1	1	1	1	10540	9179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9123	8232	1	1	1	1	1	1	9225	10890	1	1	1	1	1	1	1	1	8058	7209	8795	9978	1	1	14309	12396	9141	8465	10744	9900	1	1	11477	11978	8168	9320	1	1	8459	9123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
775.2997@0.98299986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6598	9270	7950	1	1	1	1	1	1	11300	12577	1	1	1	1	1	1	1	5777	8962	9451	10676	9942	1	1	14974	12404	11760	12288	10358	11403	1	1	12167	11861	10661	9965	1	1	9072	8992	1	1	1	1	1	1	1	1	1	1	9001	6591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.3329@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11926	11490	14884	14005	9785	13631	13777	11019	13625	14973	19260	14115	8160	8220	14523	14884	17107	17897	13133	1	6557	7187	1	1	10079	8121	13895	14054	6908	1	7296	9857	12047	10889	11847	14586	12012	14554	15863	16490	16348	19323	16249	15854	16646	14028	18789	16196	14420	16695	16275	16020	17710	15102	17753	17505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
618.7666@0.86078197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14974	13077	16071	13285	16988	18183	13088	11227	17666	15633	11204	8172	21954	24170	5743	1	15885	16215	12569	16913	15808	12456	15644	15909	14033	14914	12792	10586	20500	22471	15359	17617	18281	14268	7401	7254	18056	15472	11779	14463	15787	9570	15373	12380	15404	15408	8791	10644	9690	9421	10069	9855	9398	10453	10653	11514	1	7504	8849	8506	1	1	1	8509	1	7950	9369	9060	9493	1	6658	1	8612	12521	8571	9754	8945	8053	9302	8650	1	7125	11022	9361	1	9981	9732	9320	1	5756	11474	1	8676	8688	8241	8439	1	1	7826	10039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.0673@4.4424405	1	1	1	1	95805	1	1	42247	12144	1	1	1	1	19689	1	1	1	1	1	1	1	1	1	1	141788	117889	101687	1	1	122996	33995	1	1	143379	106728	148310	151941	1	1	1	1	113198	104509	1	29183	40008	1	1	106049	1	148067	1	1	130634	1	113265	143517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67389	1	34464	53718	98719	1	1	90008	1	1	1	10926	1	1	1	1	45017	1	35965	63831	1	1	73430	105940	1	1	72916	82901	1	1	79846	24733	1	81304	1	22842	68866	32639	1	85554	95053	114259	97434	51619	30537	94556	91074	92142	123211	1	1	85826	99634	113680	1	87198	75418	39111	85849	1	1	97745	1	21637	37927	1	61940	68289	38527	1	94256	56504	92093	105964	41987	105734	92714	45530	105638	99330	78466	74267	100733	103131	79880	80036	143407	53323	16787	170972	145970	1	203223	146494	141164	193576	138325	132956	173062	1	98629	89943	100778	41504	86984	101369	155502	1	38666	135162	92262	1	147950	152144	161645	23821	173992	111244	200449	157807	177784	1	87262	142662	144027	139106	144857	1	176446	154619	124378	1
1023.7139@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16387	26183	21251	24444	23387	21029	17436	22305	16084	19007	18219	20758	18783	22113	14647	13630	21384	21549	22386	16097	8121	8751	10818	15771	16793	23670	18235	15984	25805	21807	19066	24849	20857	22540	16235	20723	24310	23845	25334	24100	20673	23062	20686	25555	19089	23090	18589	20878	17739	19825	18002	22354	21459	21902	21730	20015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
bacteriohopane-,32,33,34-triol-35-(N-(9-cyclohexyl-nonanoyl))-glucosamine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11243	13280	12382	13881	20346	18589	12602	12132	15405	12576	9036	7483	12678	18369	7878	9694	13944	12882	15115	9916	11911	14100	10910	12758	20630	11534	7459	8442	17239	15858	15187	19403	18484	20746	8107	8445	21750	20682	18109	18028	1	14568	19367	17268	8134	14902	12534	15284	10601	8257	11756	18190	14437	15511	19601	11633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.6316@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15756	16060	9571	9653	15126	17278	19465	15488	14939	17500	11682	12143	14663	16000	9217	1	15128	21453	20024	20439	13083	12889	11134	9711	13747	11804	8724	9726	16434	13069	11429	10502	10349	12975	1	1	12050	13882	16082	14248	14723	18404	10817	11947	12078	12759	13716	13695	17828	19744	9219	1	14963	14040	14232	12707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H4 N4 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8318	10681	12059	10966	12730	12286	8717	10768	10984	13111	9551	9834	11260	13112	1	1	10154	8236	8474	8817	10890	10103	11861	12392	10607	9838	8623	9383	10564	9866	11371	11138	11151	11384	1	1	12352	11853	11289	9381	8483	10538	12174	12140	9402	11758	11648	9555	8367	9093	6537	8280	8846	9506	13797	13209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :61	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46133	46667	44520	45165	48959	44881	45575	47437	44716	37234	41989	38277	41198	39644	35686	41386	37603	21320	29737	32182	34890	35834	38390	37472	36969	35748	64132	38751	37688	38698	43185	38269	39986	31550	34429	39660	38866	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O5 S nullnullnull 1.0309993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	248317	261280	34580	198692	107792	179775	229825	201995	224039	248146	205701	177736	173338	153297	38485	257483	315040	317934	326833	388470	230775	298835	134355	182327	227777	252460	243091	232080	50788	117917	127959	132973	213950	206442	41193	33405	218887	214000	243795	211027	298030	260011	262379	20348	281093	266355	320296	290410	307054	308633	296087	223300	267020	247497	223360	266705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
844.2585@0.8489998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7260	7205	1	1	6947	6847	1	1	1	1	5545	1	14153	9223	1	1	1	1	1	1	1	1	6702	1	7478	6849	1	1	11436	8676	6403	7709	9112	7707	1	1	8462	7761	8416	7080	1	7829	5607	7768	1	1	1	1	1	1	1	10080	1	1	6001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9165	10345	7982	6255	1	9339	7487	6975	9972	8699	10588	9862	7560	1	1	7496	8354	8759	5922	5723	8045	6890	7007	6435	1	8874	9177	10496	9578	8172	7189	7704	7781	1	1	8999	8199	6392	1	1	7319	1	1	7300	6364	8776	6775	9373	8305	6184	6176	9461	7752	7723	8884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
287.05@0.93319196	142686	145818	158132	168075	145587	143764	153772	159240	160528	155535	148675	144874	147037	150796	133408	137807	147775	150068	149336	143960	136762	139851	160471	161560	169475	184376	164242	162124	168038	170741	74741	67251	93442	97196	78531	78642	83971	85875	63454	65461	79905	81344	45143	44193	33568	29529	49163	53163	48763	47363	27550	28502	54360	55864	94184	90656	88531	87146	39241	36498	25986	22523	31464	27835	35688	34280	36790	36068	22560	25074	26742	22799	16610	20055	44635	41349	49563	49064	20317	19026	1	1	22958	23797	19770	22390	14157	13440	15686	15034	22610	17464	6131	10229	15995	23699	25663	28117	29000	27869	25862	21715	20376	21925	26105	27759	41529	42462	13795	13487	29052	26536	43998	35570	20250	19535	28577	29933	30574	28882	33686	32018	21541	25535	25339	22692	22726	25531	14978	13456	26583	24643	15073	15801	15419	14640	31092	28755	23223	20649	33412	32192	15865	15463	37515	40614	21578	19862	33373	40817	35325	35700	25308	26323	7459	9488	18904	21284	29697	31705	15105	15730	18400	19270	9780	8887	12349	13654	9179	9467	20877	22489	13038	11752	13254	17206	7744	9018	13999	11392	14841	15994	12876	12310	14171	14025	14944	15617	15799	16616	8165	9394	24347	23495	10654	12017	17313	19250	14905	14169	15168	14673	9811	9197	11834	13101	6965	8092	11131	11119
Succinic anhydride nullnullnull 1.5493696 :62	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54109	60670	52407	50550	255235	246859	92394	87145	61139	58478	34022	35605	121169	133838	44415	37933	72728	65739	70825	74833	78717	94210	235162	145425	192140	204166	45976	47155	331943	342907	209031	239274	139034	122891	1	47164	252606	248760	164811	179639	101901	101991	278024	312158	68076	75457	89920	71305	51860	53440	79132	77569	67842	63247	62571	95913	74730	72597	41095	56633	91417	91891	60272	65693	48969	52255	84237	81162	47760	47261	69693	52232	59095	45896	128051	88155	143539	127863	62087	60469	56456	58355	41538	43042	60043	87271	49576	57750	49557	52872	57306	72885	42894	49901	72009	98066	76863	29180	41875	37788	87434	85581	65703	66668	48470	61388	81721	82191	77517	70721	181675	191091	121699	128587	218925	215633	78000	71095	130028	121747	59153	60648	89976	88295	54432	55986	151056	149810	291504	300523	75252	76778	256469	289787	191100	185169	66009	69744	174808	180633	59118	66001	133099	135795	109346	114105	116861	125281	186727	208656	196241	194243
C12 H2 Cl N O5 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8852	7576	8274	9593	15435	15610	1	7606	8355	9510	9916	12515	18401	18463	1	1	7802	8775	1	1	1	8738	14459	11510	14511	11047	9946	9354	10922	17041	13373	14320	17177	15932	8614	5995	16165	14545	11628	14087	1	8578	15340	7963	1	7832	11283	10814	11173	1	8015	8844	9752	9509	8196	8631	1	1	10666	8482	1	1	9115	1	1	1	1	1	1	1	1	1	1	1	1	9369	1	1	1	6352	1	12137	9675	11465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7948	1	1	1	1	1	7062	1	1	1	1	1	8384	7155	1	1	1	7130	1	1	1	1	8670	1	1	1
431.7238@0.8649999	27657	20973	26673	28308	25160	26021	28363	27648	26013	28725	25412	22130	27266	30716	21809	22079	26884	30165	24675	29567	20891	23208	22147	24504	25094	28723	26954	27788	25547	25189	14160	10597	14578	11106	6533	9598	10804	12399	11132	12842	13356	11323	10177	9971	10939	6989	10636	12332	8056	1	1	5548	16075	14074	8228	1	11421	14429	1	7648	6542	9241	5508	9897	8834	11684	10672	10288	8094	6957	1	1	1	5905	1	6200	10234	9168	9594	11827	6887	7530	9582	9019	11864	8908	6326	1	1	7151	5554	6514	6408	6030	1	6564	8366	1	5775	9288	6393	7140	9877	11543	8506	8620	5896	6323	9087	8969	7910	7294	8351	8416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :63	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	40650	43108	41003	40141	41245	39170	32682	37439	36429	35321	34039	30989	36056	32651	19626	25731	29105	53959	32604	33006	33239	32058	30746	31995	34635	36376	34107	36979	34362	35690	36863	33265	35240	35674	30306	32023	34149	35503	29303	34202	38966	37382	33829	38047	35119	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
558.9205@0.8520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14473	15135	9798	12144	10169	15267	7848	7388	9400	8321	14821	15390	16280	16703	6744	1	9490	11132	9112	8983	11277	9943	18965	19334	16788	18032	11634	14303	17251	18136	19043	13108	14446	15799	1	6662	11762	10545	15660	15454	8730	9471	15221	14838	10585	8050	12212	11934	11280	12122	9677	10604	12995	10035	11308	12069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86399996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8490	12211	10202	10956	15368	16487	9900	10256	8813	1	1	7833	18445	20075	1	1	1	7464	10409	12330	8952	10520	11591	15420	12479	13873	1	10244	14843	15604	12686	14403	15775	14751	7053	7054	10855	15558	10329	13015	8195	8836	15220	15605	9855	9234	9378	1	1	1	8813	8149	1	1	12140	13834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
309.0435@1.2450004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7713	7375	1	1	1	1	1	1	12730	13647	1	1	1	1	1	1	1	1	8708	8190	7115	7478	1	1	12677	13166	11584	11792	11330	11290	1	1	10254	10072	10737	10264	1	1	7991	6708	6348	1	1	7166	1	1	1	1	1	1	6608	8761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H35 N19 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7034	6689	8375	7370	12034	11448	5989	6570	6806	6705	1	1	11082	10818	1	1	1	1	5943	6733	9356	8944	12149	10798	12445	12861	1	1	10363	8992	11942	11183	12701	12496	1	1	14463	14757	14147	13977	5971	6155	12818	12600	9686	9303	9111	10539	1	1	8589	8922	8918	9121	14538	10828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PA(P-20:0/22:4(7Z,10Z,13Z,16Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13795	11630	11433	14328	13101	13140	9687	11432	12577	13480	15724	14830	11554	8641	6950	10415	13606	13537	13135	16483	12970	17601	12257	15541	17597	12805	9010	12299	7662	12318	10878	8959	13612	7583	8882	8901	9622	9022	10728	11123	8599	10001	14681	13788	13068	13216	10976	12349	12325	13214	11916	12122	10503	16288	13050	8323	1	7210	7990	1	1	7314	7965	7799	1	7109	6083	8219	9399	7682	6874	6270	8309	8831	1	5783	6254	8699	7975	8248	1	7306	1	7311	8394	8558	8561	5886	6220	1	8957	9205	7899	1	8232	1	1	7627	7654	1	1	1	7606	6229	6876	1	1	1	1	1	1	1	1	1	1	1	1	5890	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
753.3855@10.958005:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8048	1	15975	11755	1	1	1	1	6998	1	33933	23953	1	1	7080	7197	1	1	1	1	145469	71738	31201	25462	13183	10694	1	1	12622	14960	19567	17005	1	1	18270	16236	31757	24197	1	1	26928	23191	12507	10958	10210	8076	1	1	7841	1	8264	7724	7808	9362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1058.2584@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10602	10451	13744	6736	8863	1	7996	1	13408	11199	10928	11308	8515	8172	9745	12366	13690	11897	9244	1	6293	1	1	1	1	1	8522	9981	7555	6987	10294	7515	9406	8956	8734	11688	9369	10902	13321	14014	13456	15600	13615	14232	13727	15607	13374	14956	15516	14023	16891	15521	12187	12672	17597	15167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
422.0827@0.95500004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6250	12918	13487	1	1	1	1	1	1	1	6620	1	1	1	1	1	1	1	1	1	1	7577	8260	1	1	1	1	11958	13447	7890	7942	1	1	13524	15295	7146	9077	1	1	12325	11461	7213	8148	7956	7405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H15 N4 O8 S nullnullnull 3.3349469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11533	15602	19302	19763	17560	17317	19236	17356	21030	21750	13192	21308	16311	16225	17004	14584	22817	23193	22406	23346	22305	25152	22289	20486	22929	19717	21845	21645	17539	15860	18512	19413	18986	20900	13107	13144	23918	26149	26313	26858	31082	29559	26783	26396	29896	29127	29138	30965	31634	28251	30999	29677	29936	29685	38545	31981	30105	30508	31618	32032	32877	30390	32394	30729	31035	32213	31127	32149	30005	31751	29850	28730	29889	28987	28769	33007	32859	34330	31364	35484	28659	30737	30960	27923	31916	31520	33137	33084	28525	32125	30058	34439	30114	31320	32677	32421	25239	28963	30953	33161	33456	33329	29463	31017	31540	27802	17467	13686	15792	16739	19390	17682	15331	16671	15153	15746	16424	17227	16123	16714	18397	18825	15413	15904	19765	19744	15809	14766	13743	15587	16558	17300	13753	15423	15559	15933	16358	17816	14894	14561	18091	18264	15835	16688	16272	17787	15638	16943	14015	16370	16849	16691
833.5516@0.86499983	7331	8645	13189	7668	9395	5845	12372	6075	15100	11591	9897	10420	12898	13581	11929	8753	8405	9866	5550	1	8800	7537	8701	10174	7799	7781	8520	8265	9406	1	8190	8070	10958	9808	10558	9534	6281	7767	11523	10489	11249	12550	10606	9671	8391	9455	9566	9968	8708	7237	1	1	7378	10132	7827	9448	12653	8914	14292	9176	13948	12879	7648	14481	11660	8630	11154	15298	10080	7359	11178	11076	8005	1	12113	1	8632	11921	15119	16001	7003	8961	5977	7098	9735	9887	8736	9168	6650	1	5939	8194	6334	5909	7718	9529	7858	8964	9806	1	10175	10948	9730	8847	7475	6652	8622	7555	5492	8104	6040	7887	12210	10327	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
102.0132@0.9372347	1509271	1520630	1467938	1475024	1546730	1497414	1372816	1372116	1797139	1796548	1644731	1621045	1577212	1589113	1127332	1121281	1759698	1726978	1541999	1558410	1378838	1391024	1065150	1113180	1578578	1657511	1310695	1300409	1162618	1181696	1696621	1663508	1814770	1841005	1684907	1677197	1806779	1777208	1346676	1348235	1789438	1796091	350021	350290	1122358	1130813	1262096	1304716	1441141	1478121	1063066	1058304	1424886	1394770	1700652	1693039	1880338	1853882	31106	31485	39082	14388	7494	1	38071	36685	41894	40627	28392	30048	1	9334	31145	31967	42238	45491	49441	23528	38615	38830	20047	11611	8820	10613	31659	32848	18870	25410	16225	14746	11674	1	45924	29662	36298	1	30552	11104	36305	35022	12052	13309	35017	38896	44754	42834	44059	43521	27066	29055	28138	31810	14035	45562	751103	760544	879330	887237	842950	848663	943487	943168	716768	731006	786823	801421	859375	869926	742853	732026	836306	864889	701044	709174	764778	765918	883666	879213	826717	833520	901318	886174	756906	750771	879875	880334	827410	834398	948571	953033	971728	969008	879311	871388	656554	654862	783110	780413	1025546	1030058	784270	792023	178793	900141	545417	540010	587486	600536	172348	732956	751606	746011	761365	775356	705789	720147	179224	176930	605665	592576	728054	718206	590446	584970	1007387	273977	931700	926514	746796	759606	773610	769496	1002411	993187	630440	629956	875007	887782	631822	625828	938849	945366	413556	421505	336061	344985	709195	696158	473901	451262
C6 H7 Cl N6 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22941	22445	31569	18250	10191	39781	21806	23508	25143	25164	26943	28104	51288	47722	17285	24703	23952	23144	15226	16742	15307	20904	35736	11914	30606	14804	18438	18244	23532	41278	30825	10535	38844	36778	22750	35048	50453	29233	41686	39452	29942	16394	40866	25053	17694	15817	36000	16102	16539	16838	16024	37275	21216	30448	22679	19081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hydroxytinidazole	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	459351	432381	314856	294656	406789	391275	398810	399663	439839	432794	284852	273981	389744	398088	214070	207306	497699	494415	522263	508185	277997	277009	93242	85872	295022	303953	273387	275547	282987	285560	259999	273638	362212	365349	63032	101265	311534	321106	378257	372479	318437	317328	277449	278273	264181	268601	336830	326973	393320	399001	175806	178823	310463	318915	527166	484149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(18:3(9Z,12Z,15Z)/20:1(11Z)/20:3(8Z,11Z,14Z))[iso6]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22856	19478	20317	26418	23583	23161	22394	23185	22259	23370	23210	19069	17145	22978	21934	30368	29829	25365	26995	9272	1	1	14622	18215	20393	21101	18780	22490	19176	20732	18213	23264	29399	22641	19120	22137	21863	22784	23082	27683	34996	33883	26620	29718	30303	34012	32921	30956	26260	27194	34330	33853	30355	33925	38269	33887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
389.9726@0.915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14334	10972	1	1	1	1	1	1	15410	13889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11257	13705	8907	10452	1	7385	1	1	8546	8536	6018	1	1	1	8538	8737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
907.8063@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17192	15682	16971	17641	19396	15000	20130	17404	18945	15315	16612	16984	11089	14484	25748	28064	18948	25076	15816	9822	1	7612	8702	10312	11951	13051	11566	14165	14984	17685	18351	18036	15734	18886	19460	26513	20124	21808	25215	23302	27317	27754	26216	24192	32255	27084	26786	28058	20500	17845	25974	22939	25894	25533	39322	31649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
211.9938@0.8310002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25155	24394	8025	13385	10369	8912	13236	19011	10752	15268	18688	12898	29120	27631	21556	9926	11691	8190	22092	20325	18849	22494	17231	12903	8781	20125	20788	8844	22060	19158	12523	1	8912	15058	1	1	9317	27157	7719	7312	7585	10087	22304	8906	23545	15432	26316	14578	17861	23023	21489	23394	21712	20501	15496	12822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H6 Cl3 N5 O13 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22855	22564	19652	16779	24362	20248	17897	18211	21077	21720	10262	11709	24235	24256	11519	10871	18332	12390	20707	16205	15989	17613	11853	14910	19573	14631	9744	10745	18972	20555	12639	13115	21562	19964	9261	11089	17239	25657	18244	20492	16138	15320	17690	16367	19185	19106	22180	19639	10960	10250	17727	17381	19425	18869	25672	21902	1	1	1	1	1	9872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8894	7690	1	1	1	1	1	1	1	1	1	1	1	1	9844	1	1	1	1	12127	6701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :64	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46425	46667	44520	45165	48959	44880	45575	47437	44716	37234	41989	38277	41198	39644	35686	41180	37603	21320	29737	31867	34890	35834	38505	37472	36969	35748	36882	38751	37688	38698	43185	38269	39986	31550	33432	40184	40250	34628	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
617.5658@0.8659181	12569	10167	11513	10725	10581	11026	11910	9517	9233	12185	16256	14421	9291	7745	9025	8209	12994	7753	9747	12205	11150	9611	10580	9742	9518	10210	8536	11762	8701	9229	18128	19317	17741	17980	21292	17527	17383	19050	15307	18222	15588	16746	16325	19271	15703	14960	16224	13848	19341	21352	12200	9808	13971	14935	22892	25386	13780	16394	9018	6258	6558	9404	7456	1	8579	7191	9011	7716	10964	9675	1	1	1	6127	12218	9445	8845	9172	1	1	1	6564	6667	7870	9086	7570	1	1	1	1	1	1	1	1	1	1	9021	1	7944	6837	1	7725	1	9535	8037	8437	10380	9911	8316	6941	7551	8269	7215	7530	9723	11161	17623	13416	7558	6150	13292	13708	18412	17032	13070	12209	12229	12272	12299	10508	12083	12526	11197	11708	14269	11108	14153	12856	12797	13736	13664	11109	13969	12929	14204	15144	15586	12879	19649	18537	14351	15668	15663	17457	6219	6196	17276	17212	7470	1	10349	11763	18008	19145	7738	6836	9458	7732	1	7053	18219	16439	1	1	8035	9024	15923	12793	11410	10806	7225	8429	9971	9644	7473	1	1	1	9351	8233	6490	1	1	1	9931	9249	1	1	8420	9820	6229	8357	18679	21042	1	8380	1	1	1	6703
C19 H24 N2 O22 nullnullnull 11.521997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44114	42819	44009	37187	40659	37075	42325	42164	35644	33899	38999	39390	49531	37757	22061	41594	23521	59425	19998	59785	20050	28034	30338	28999	22133	24669	25042	22480	21413	36287	22968	18752	22245	23332	23536	25993	22181	46554	32149	40360	46152	19148	22421	73655	21680	19688	27256	1	18387	18376	50123	46333	20900	21311	166374	72828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.0994@4.203999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23043	20389	1	1	1	1	1	1	1	1	16783	16308	17579	20888	16254	1	1	19351	28685	30943	54010	51629	41228	43169	22291	25990	18896	21957	21310	21465	18293	16235	17368	18561	32296	32680	44543	42834	28591	24479	52245	46409	21906	26677	34702	31592	17868	18409	41454	44474	29945	28607	68413	42612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H14 N4 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12287	9998	13544	14702	26647	20300	10734	14659	10149	13236	10621	11889	21790	20827	6897	7161	11244	11787	12514	11245	14812	16543	23542	24602	18564	21493	12492	11869	41768	36816	30272	31335	25783	24450	1	10055	30074	30412	28703	26040	12669	13065	25684	27624	16676	16495	18737	17555	11442	9773	18301	13794	15609	15497	31363	23311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 5.2806516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21919	17352	19457	15728	1	9167	1	1	10761	29431	26508	24165	13005	29900	18327	32447	15145	25480	20548	18211	27906	37919	36550	42456	11678	7879	24879	27141	32898	19023	24353	23106	71149	13172	23364	29957	30399	50384	21091	14159	37601	36847	12859	14604	18764	21269	1	11046	16018	30634	20466	18598	1	52012	17549	1	64506	65980	20089	48745	15218	62449	1	1	1	1	1	1	1	1	1	1	1	21822	1	1	49590	1	1	1	1	1	1	1	1	1	1	1	1	1	28730	22556	1	1	27610	16033	1	1	1	33185	1	1	19644	1	16509	23026	13944	13327	1	41492	1	1	11627	8016	34924	34605	25783	40479	10574	13417	1	27367	1	16359	50403	23418	81716	33760	11633	16698	17909	15463	28937	9139	10009	17141	22505	44324	1	1	105861	17942	1	1	35655	17527	39798	23810	28467	52508
C30 H22 N3 O17 nullnullnull 11.650002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40851	60973	38946	46357	53227	39523	42783	42171	42237	33992	45670	38510	1	39612	27740	27734	28752	24514	23819	21835	27522	27058	15618	11875	15859	23735	22429	25134	20964	1	22023	23360	22769	1	18603	25419	24571	23600	29421	23254	25985	22881	30751	25862	26899	26736	26825	24418	15035	23859	28448	26491	21313	23318	49170	20951	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
225.8728@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7331	6181	6991	1	5628	6806	1	1	1	6068	1	1	6480	6822	1	1	1	1	1	1	6766	7486	6428	6441	6293	5360	1	1	5862	1	1	1	5533	1	1	1	5659	6798	5673	6168	1	1	1	1	1	1	7022	1	1	1	6999	1	1	1	1	5554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.895997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62092	96523	83803	53151	63941	61597	75404	90425	72177	61099	67276	66444	63394	68500	32205	19318	1	27895	1	26795	17319	17791	1	1	15544	23899	23181	18345	24308	32364	32869	26669	23142	38809	27464	25271	19311	35661	27863	27461	35777	1	57651	27319	29121	28173	1	1	1	26734	18803	24597	28500	1	1	43620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(18:1(9Z)/0:0)[U]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32410	16917	1	1	51732	13387	18302	13963	32436	16202	14027	21946	26282	29184	1	1	1	1	18772	14269	85318	59436	517565	135821	42377	13206	16215	1	1	1	1	12213	24107	12028	1	1	44378	1	44311	11793	25776	14408	90731	47319	9970	1	160452	20519	1	1	58738	22623	17521	17003	106221	11537	1	11287	1	1	17571	17965	1	1	1	1	1	10898	1	1	16439	13898	1	9527	20044	18066	14065	15100	1	1	13290	11282	14872	16776	1	12104	1	1	10005	1	1	1	1	1	1	8950	41956	34077	1	1	20026	19917	18022	20819	1	1	17304	24398	21994	16485	23278	14858	13489	1	16071	1	84919	60002	1	1	1	1	31026	18973	1	19589	1	1	13670	1	13291	1	1	1	1	1	1	1	18443	1	1	1	91404	1	10693	1	21155	1	47494	85728	14894	1
828.9253@0.8899998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8175	7462	8646	6212	18808	18500	1	6315	1	1	1	1	26285	24439	1	1	1	1	1	1	6870	7322	17644	18162	15336	15538	1	1	24232	23562	24154	23979	23488	23773	1	8308	27147	25023	23602	19442	1	6355	19095	16953	10457	10152	9270	8782	1	1	10268	10565	9051	7422	12522	12784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
940.8847@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10321	1	1	8543	9486	7754	12428	8816	14526	13686	13276	13567	11790	6542	11785	13042	1	1	1	1	1	10689	10863	10502	12593	15964	16144	13558	6878	14726	15232	15356	9207	10092	18204	17883	18260	21613	12098	16086	15071	16937	14606	10363	15882	14124	16354	18662	12258	14587	11812	15299	15138	14462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
570.6559@0.8517538	7082	1	1	1	1	1	7851	6664	7922	1	1	1	1	1	1	1	1	1	1	1	1	1	8127	1	1	1	1	1	8140	6831	12016	13278	11829	15067	18031	13923	17283	13824	12767	13284	13405	13366	13391	11525	15281	14319	12769	15423	17209	15459	14616	13528	14894	13760	15176	16650	13627	13452	16915	14251	15453	14724	12767	12751	16373	15425	19112	13147	15318	14364	9852	11430	10078	11040	17574	17441	13842	12184	12715	14724	8919	12700	14130	12387	13310	11460	8551	7200	11167	9618	13483	9663	8996	9790	11361	12968	13951	16779	18343	15311	18322	13172	17904	13919	18068	15725	15643	17440	14670	15639	13042	13246	16701	17094	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.464@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8493	9230	9088	6931	6731	1	13520	15337	16339	14916	12220	10139	1	1	1	7387	11111	9246	13800	11974	16305	9500	1	1	9164	1	12186	10212	1	1	1	1	1	1	5783	1	1	1	5407	1	12898	12129	1	7594	9651	8971	6322	11644	11031	14329	1	7763	10260	9408	8010	8588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.9384@2.9081328	1	28225	1	56892	1	1	1	25881	41472	1	1	1	1	1	42936	29010	1	1	1	45797	1	1	63789	31628	36408	1	1	62802	39344	1	1	1	1	1	1	29367	1	1	1	1	1	1	1	1	53422	1	1	58167	74610	28275	35020	1	1	1	93829	1	1	23342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23771	71808	64650	55174	46326	48220	51581	69999	43149	46412	80117	40647	81493	45776	1	92827	1	1	1	1	1	49805	97196	97131	48068	37956	1	36056	55826	31677	73665	84427	23920	123457	67045	87259	54741	1	58846	45352	1	78048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
730.8072@0.85300034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27750	29967	27937	29796	29386	30633	29316	28723	27572	29818	24268	20607	23882	26689	18557	20819	26722	29982	25856	25081	21401	20554	25094	20938	26703	30906	24264	18174	30281	25934	21536	25533	34827	26145	15426	20220	36389	28959	27003	32352	28869	27287	32793	29725	32458	37296	28953	34721	21087	20335	28609	31002	30703	32109	43330	29549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
519.714@0.8614358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11765	6726	7163	9067	12739	7354	11584	8657	1	8075	8423	7361	8361	9867	1	6566	9855	8439	7940	9710	10255	11414	10724	6851	11592	12572	10157	9420	11532	5960	9526	8982	10723	9411	1	6513	8943	9555	10007	9140	8280	9656	7760	9376	9851	10975	9283	8981	1	8725	7858	10070	7872	1	9691	9641	12500	10528	12645	14254	9276	9625	9996	12471	13949	13521	12161	13331	10159	11893	12590	11347	11871	11548	12861	11523	8188	10744	12402	10576	11596	10867	14027	14906	11092	11382	15267	12935	10801	12436	14606	14200	9932	11526	16235	12557	6822	1	12043	11308	8140	8259	11262	13405	11633	12176	1	1	6751	1	1	1	10281	9522	1	1	6905	5917	11726	9145	6345	5976	1	7124	6792	6245	1	1	1	1	1	6157	1	1	1	1	7516	7002	1	1	1	1	1	1	11682	9989	1	1	1	1	1	1
787.6008@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10213	12786	6505	9723	14647	17946	9855	12860	9731	7898	10186	10375	20157	19127	1	1	7647	8601	10137	11779	13431	14757	16858	16768	18355	13867	6135	10358	14732	11237	12854	15962	12359	15662	8856	7440	12034	14415	16878	12225	10609	9165	11706	14293	8646	7584	7128	7318	1	1	8859	10567	9718	11397	10165	13058	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.032373	257006	259156	279393	277145	223767	221462	254388	257766	246226	244616	193471	210296	252432	251396	252368	226192	228694	214449	225164	219595	166337	168720	299541	318901	220822	210461	218271	226693	216904	230933	59186	60218	72924	73645	41273	43861	63706	49486	43172	47648	61664	56811	99547	94684	61870	60981	46999	54046	47870	50427	83872	22668	112553	112128	38720	40911	65663	64048	33408	33260	39532	37502	44073	100076	249128	266514	24380	26471	33008	37307	82429	80525	49833	44425	58329	53893	203940	198968	273170	287616	123007	109568	261675	266606	212778	209527	179121	189287	148529	161295	103723	102349	23054	46436	94121	101387	232537	231149	155862	154495	270700	236725	107729	107008	100489	100667	46617	41783	85708	90278	44174	41538	155536	80857	49940	49824	54994	56582	48216	49730	49501	43614	31860	36991	30514	31137	60143	60073	61205	22661	43106	43921	54744	39953	60227	58787	46165	44666	39101	10133	37376	28893	33881	48234	61452	65375	49238	35241	79286	44328	44969	83152	21598	57242	94546	68344	49509	51575	39671	58263	56141	51213	109970	103303	46830	24908	24848	25346	92692	116953	64760	63339	195926	224562	32674	33064	79762	77518	26494	48755	29325	30176	37073	41001	116236	86589	100538	102527	37091	36002	85428	87486	68397	67750	29976	31564	70457	67263	21467	22723	70297	97001	130675	127754	138964	139822	58651	59376	172948	173628
934.8773@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9666	7079	1	1	1	1	9086	8159	9141	7486	11100	8427	12463	13598	1	1	1	1	1	1	1	1	8461	7584	7387	7745	9524	9696	12589	13250	9339	9311	15711	15972	17125	14508	12591	14171	12698	14746	13579	10407	12680	11694	11397	13134	11693	12253	13848	9655	15727	11328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1024.5704@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14211	14314	13783	16049	10050	12128	18133	17275	15386	19351	11897	13924	14945	13506	6693	7552	17035	19226	19116	19571	14389	12497	13341	9974	14264	10505	12792	8913	14333	8844	9494	13464	11549	6519	1	1	9725	13241	9959	8283	13897	16282	12583	13397	10442	10591	13627	11598	16613	18596	9500	11406	14395	13155	17139	14164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.743999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34635	25463	41990	31203	14837	30903	31864	21140	37757	27874	42535	42620	42449	47491	20389	6802	21299	6510	23293	26153	20476	21652	31913	30071	16479	16161	19757	1	20821	18486	19033	16298	26194	21125	20614	21495	18895	19393	23585	18230	16850	21502	33544	19019	19354	21088	29528	17156	18278	18851	22095	1	1	17239	23555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
729.859@0.85219884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11608	10912	8212	1	1	1	1	1	12358	13897	1	1	6269	1	1	1	1	1	9540	11086	1	1	1	1	17250	19906	13583	13997	10686	13262	1	1	13663	12115	8298	1	1	1	1	8918	6327	6709	7245	6195	1	1	6939	1	6262	1	1	6809	18767	11891	21778	19166	15123	17788	21840	23752	22377	20385	19353	19539	19807	23241	18269	18880	19153	21340	21028	17904	21218	21660	20610	22643	20639	21083	18194	20212	20119	17500	22883	22485	18613	21408	21620	23036	20968	23398	23684	19058	15869	14416	22540	20612	17993	15645	20687	20518	19950	20880	16104	13971	15819	14786	14050	15479	22848	22163	13818	14104	16606	16053	20161	21236	17281	16121	14712	13803	16266	17242	12616	14710	12127	11173	16445	15069	12181	11415	14224	12586	15349	18211	13105	12218	16474	15801	13637	13911	24764	21781	15683	14501	10887	12692	14432	13614
183.9958@6.2876143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	197992	225234	1	198806	677463	652404	1	236739	212749	1	258638	279514	1	254627	1	242825	754543	1	247765	636675	234069	673728	245625	760256	248230	237048	703240	272703	254328	217429	219202	244836	249809	227634	1	965725	214578	225122	628460	209409	603617	601210	223302	636920	1	224532	625522	218556	583762	558854	607194	234647	1	186514	332290	236453	1	606673	1	1	1	1	1	1	212864	1	194652	1	248008	1	1	1	1	1	1	1	198060	1	1	1	202097	1	1	1	1	1	1	1	1	1	1	1	1	212411	1	1	1	636629	1	1	1	596758	1	1	1	1	1	214745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	650626	1	634141	669551	1	1	1	1	1	1	1	1	1	1	1	246714	1	1	1	223569	1	1	258980	1	1	1	1
C30 H10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13491	11721	7854	6738	1	6811	10933	7439	9802	9680	1	1	1	1	1	1	17126	16550	15536	17532	8223	7558	1	1	1	1	1	1	1	1	1	7458	1	1	1	1	1	1	6902	7716	14959	13779	9071	8501	7846	7363	10546	8603	10355	11261	13822	12559	10537	11756	16301	11669	9738	10427	18486	18568	17305	18117	20968	20796	14158	13430	14017	12204	12185	11471	6018	1	14810	14180	1	5603	5667	6121	15990	16490	8583	10329	20942	20876	6264	7208	26362	24859	13163	12593	25101	25770	21922	20982	11530	11339	1	1	10527	10180	19505	19747	6841	6947	8226	9058	1	1	1	1	1	1	12865	11475	1	1	5726	1	1	1	1	1	1	1	1	1	1	1	1	1	5994	1	7700	1	7796	7728	1	1	1	1	1	1	1	1	1	1	1	1	8484	1	1	1
244.0195@1.1399437	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26919	26397	37242	33190	1	1	8691	9011	1	1	8704	9930	21160	23991	37524	40903	1	1	21652	22976	1	1	1	1	7601	1	11417	13957	1	1	1	1	16027	15808	26975	27673	1	1	1	1	40546	42881	1	1	1	1	27512	26995	19817	21131	11227	12790	21868	23733	19031	19520	38680	39481	16239	16326	16658	17761	1	1	14943	16505	18178	24687	16030	12904	24684	23702	1	1	11400	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1090.4763@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8592	8418	9859	9690	12578	15715	9837	6522	9598	14596	9674	1	16117	16333	1	8687	10809	9695	10402	11980	10240	13455	14848	14260	16335	13656	7994	9489	15248	15319	11330	13586	12113	14011	7366	7280	13248	16819	16234	16490	13949	12224	11665	11613	13128	9257	10972	10324	9033	10335	13276	10260	13399	7906	17935	11086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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933.3183@0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8892	6398	1	1	6400	7857	8579	10604	9357	10053	1	1	9924	11053	11009	11967	8426	1	1	1	1	1	1	1	8815	8343	1	1	1	1	6755	1	8562	7686	9100	6443	11977	10693	10841	12992	9877	8950	7750	7720	10115	9403	12880	16623	9726	8935	10912	11026	12459	10975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
696.0943@11.891002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44051	70759	1	1	1	139049	127160	113880	118439	1	1	1	1	1	53520	1	68023	1	1	1	20308	37531	112523	88483	1	1	68683	68439	53779	65133	1	1	1	62149	1	1	52888	84206	1	1	1	67006	1	24009	1	1	74962	1	1	1	1	1	1	1	59068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
251.1021@13.627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29478	1	38160	136966	1	1	1	1	1	1	106565	36990	20642	71235	18469	207973	31764	1	80357	40548	1	1	12220	22763	60507	1	1	1	1	75173	1	35081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.8614@0.9309999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6470	6699	1	1	1	1	1	1	6658	1	16636	17447	1	1	8972	1	7822	9852	9642	10573	7356	6891	13839	13467	1	1	7408	6970	1	1	8603	21307	10952	11785	9302	8539	13354	13406	13551	11693	11646	11214	11241	10981	12460	11242	11606	14566	8484	9146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C41 H8 Cl2 N3 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11053	9759	9298	9783	12582	13487	6576	7541	7118	6692	1	1	13392	11268	5895	6000	1	1	8152	1	7316	6342	11534	10990	12525	12972	1	1	6841	7870	10081	9006	10169	10729	1	7211	12583	12516	14906	15474	8076	7824	13904	13783	12065	12837	11874	10004	1	1	11693	10378	9532	10390	11866	13078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
226.0109@1.2519996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46231	36153	48098	43680	39635	65133	36445	35258	46119	49934	42281	33560	99769	98006	60983	50209	62121	63107	39334	35623	32544	32548	28889	58766	54120	28163	24979	33702	64424	28038	57097	1	71924	74229	39095	32000	69232	1	39836	1	42253	43045	62573	62397	50195	48425	52336	56151	37841	35474	45630	32972	48605	41278	62012	56776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Crotonaldehyde nullnullnull 1.2700703	32378	40812	9673	14494	13396	7994	1	8072	17317	17519	8454	7670	47010	17857	24547	26578	15395	16655	22893	20152	14904	16070	17851	14471	1	1	11762	9992	7995	1	19784	13931	26786	36621	39404	40152	18244	20454	36857	37632	24256	23597	20005	21773	27520	21476	25976	26452	17331	16029	1	1	45542	45232	14345	11708	20838	42783	56825	46611	29409	34883	78604	81729	82666	79370	38360	41501	34145	30656	48424	55194	36125	21563	43360	28604	17553	13107	151186	15821	129454	118869	134939	123685	15438	17594	86558	93367	94327	102333	64104	56494	22550	27508	77361	72095	91919	75585	68288	60322	110381	108752	44722	43131	47622	36843	48178	48317	39635	45008	37346	32867	53251	55446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
288.9567@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6789	6988	8263	9341	1	1	1	1	1	9569	15988	13337	1	1	1	1	1	1	1	1	13070	11295	12540	11436	9267	7076	10244	8946	7347	9184	10257	10106	6222	1	9400	9457	12950	9715	1	1	9187	9197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
360.0422@8.352779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8893	1	1	8390	1	1	9186	8501	8241	1	7793	1	1	1	9499	8799	7775	1	8512	8938	9023	11196	8786	9313	9883	11756	1	9650	10062	10910	9589	10894	9864	10573	9500	10390	10240	485180	11914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13222	10528	11221	12546	12023	14775	13471	11969	11442	11930	14053	12402	13104	10667	14320	12904	12195	9488	9902	9837	1	1	7417	8357	1	7972	1	1	1	1	1	1	8388	1	1	1	9421	1	1	1	1	1	7802	1	1	1
862.6561@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11883	13798	9960	8824	16233	10094	10951	14088	7619	13527	9505	7062	11334	18726	1	1	10392	8907	13175	12847	12503	12222	17503	15065	14436	16951	1	1	16569	11452	14710	13380	13457	11744	6094	6162	14641	16630	12978	14538	7786	1	11156	12218	9329	10990	9936	9388	11447	12371	8649	12457	9891	12847	11712	11189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
184.0432@0.8909998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8948	9275	12421	9292	19717	22928	10500	11648	10447	9345	9653	10317	9984	10428	12658	11590	8329	9634	9919	7088	10324	9693	12430	12671	9814	12829	11210	12220	17532	22810	21100	21260	11270	11119	8602	14468	17052	11253	13320	9931	9804	10930	18775	22320	12153	13206	14938	12255	9929	10245	12092	12703	10428	11731	13804	12128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.856 :65	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13866	14941	15478	16339	14654	17799	14126	15269	16599	17078	12517	12097	18888	11738	8807	8456	14383	12504	17248	12218	13938	15777	1	10115	13402	15096	9795	12288	8982	18323	15793	11325	1	13391	7598	10690	20515	16807	18790	20957	15828	16324	16755	15854	14776	15392	17507	15994	14023	10435	16051	11108	15869	14873	23694	16902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8590002 :66	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18778	30346	14019	16441	14149	17516	28202	26052	23344	23320	14128	24787	20389	11868	1	13366	21623	22490	24940	27441	15373	18053	11131	15826	15746	15490	13665	15235	12132	14432	10596	14752	20050	12269	8243	11426	10465	12913	14597	13524	13981	18518	10448	14381	14746	12900	20831	23529	20287	21224	10032	17243	19903	18004	22016	23824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
965.8762@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11602	12010	1	1	1	1	1	1	14964	11714	1	1	1	1	1	1	1	1	9214	11380	8472	10367	1	1	18237	14657	13817	10960	12793	15049	1	1	12049	12424	10205	9831	1	1	10221	9225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :67	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42320	45844	40763	41289	40395	42486	40888	38748	41246	43108	41003	40141	41245	39714	32682	37783	35469	35321	34039	30989	35849	32651	20232	25584	28790	53959	32604	33006	33239	32058	30746	31995	34635	34904	34107	36979	34362	35690	31550	33265	35240	34497	30633	32023	34149	35503	29303	33846	38966	37382	33829	38047	36775	34320	693621	41922	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H21 N7 O18 nullnullnull 11.538 :68	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	161758	73991	161483	86728	75466	51115	105223	80127	123696	85414	124466	150046	132126	63006	39890	42923	39512	28646	29576	30979	41767	38917	1	1	47520	25760	23766	34368	37150	31107	37214	36276	25677	33243	31722	37472	45552	30362	21284	52062	43784	29694	26167	1	29909	25025	1	34238	35036	46068	33592	29557	37331	34089	1	62642	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
trans-Aconitate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45953	46448	49029	43580	282093	287373	18883	8867	39419	45276	30317	35282	267211	257440	27059	24149	24927	24416	19926	1	24314	24670	158373	137316	67982	67574	14311	1	842934	846572	251235	285280	337549	338224	1	20329	497156	488416	89159	105748	1	24808	85995	92236	18622	1	38501	28786	1	1	60742	54084	42437	35554	17983	109662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84199953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9526	8295	8802	7942	8605	1	1	9447	9430	8212	7030	7429	1	1	10214	10942	7666	15781	9370	1	1	1	1	1	1	1	1	8082	1	1	6336	1	1	7137	8227	9250	6831	8748	10331	9646	16115	9015	12855	9956	13170	11756	10729	13576	1	6219	11835	12021	13527	11567	14871	13546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H53 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48754	19178	54477	55129	143992	37515	69264	52883	20264	1	126749	49559	275802	75564	45876	17233	36029	1	29964	1	283676	247959	3520223	1142911	347649	123477	104124	69852	66651	22855	36153	64071	108728	57005	15254	1	426293	73912	332699	55194	82826	29567	493600	211836	32850	25587	859385	126052	1	19615	367110	152822	29857	33389	393482	50209	130943	177539	186065	176720	129992	97870	172731	157647	88330	77811	259080	253271	253677	252717	362834	344266	163609	169364	353785	344737	173214	161878	117670	119419	271439	214681	428990	421382	313531	294967	102065	98713	229889	248269	82277	69699	169277	186375	191565	186475	300990	248285	78993	71314	183441	210165	268466	214692	102251	95956	129977	124979	127931	90952	146973	98393	78510	52994	130683	46869	517775	395235	70556	34197	39385	26767	94274	55421	40303	38330	90735	23399	164795	68178	74516	58583	58181	52435	42498	25923	70340	65899	148106	32362	43986	38909	534455	44429	29776	20277	90702	38105	190463	331587	91797	43758
824.5216@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8359	11729	12262	14950	6552	1	14801	15781	15008	20243	19200	14889	6596	6309	7927	9681	14869	14559	14744	15082	12339	12885	5400	1	8729	7487	13279	15042	1	1	1	6986	1	1	6165	1	1	1	6250	1	16469	12293	6629	8725	11367	12478	11753	13189	15794	20449	12250	9559	12872	10664	12425	13008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.0151@0.90900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8007	8394	8390	8983	9191	7957	1	1	7872	7575	8395	10945	99405	95751	1	1	14309	13915	11604	10561	11638	12307	49738	55329	35504	43772	7627	7696	125063	127533	79926	74752	108772	106305	5986	20728	99591	101701	6132	68845	13066	8691	45004	46239	6733	1	11553	11088	9817	10052	18227	14761	9076	11808	13291	16158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H10 Cl N8 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15418	10447	10208	10918	17736	20869	10278	6386	16051	13510	27656	27734	23437	24450	1	6445	8975	7439	1	9809	9582	8657	31438	22646	20823	21736	25162	23656	14793	13658	14795	13054	20027	20331	9765	10310	23249	17972	21204	21128	10516	6257	17364	15715	7308	7350	11694	9414	19339	19038	12602	13204	9552	8904	11606	10471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H6 Cl2 N3 O S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18264	15817	11442	13960	15221	14956	13214	13035	14125	14134	10868	14578	18194	20143	1	7888	11439	11782	12650	15985	13805	12284	11382	10759	15459	13786	10887	8878	15862	13135	10863	10623	14731	12451	1	1	14757	14674	11208	14540	1	8955	11926	10614	1	10545	14114	11040	10514	13346	9894	1	11487	9891	12633	11851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1031.636@0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14248	11428	14985	13905	18660	20047	10219	9731	14465	12501	8992	9137	25822	20416	6574	6732	11061	8031	9029	9992	8327	13113	14391	19033	15471	17604	12335	10796	30328	20638	21586	23341	18436	16366	1	6461	16668	16787	16123	23398	11391	10081	19192	12929	14584	9606	13211	17239	11520	7835	11136	1	9856	14768	15203	20664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-vinyl acrylic acid	29417	26246	17396	21897	21371	29910	20041	16321	26471	49352	11331	13797	28829	28093	24480	28492	10430	19427	14152	42151	23281	26241	31308	25240	17370	27832	17734	34779	24861	20225	26976	36430	40669	40252	23110	26119	23127	19483	27794	28965	29170	33272	22894	28526	51011	54978	33395	32541	26123	26317	1	13373	50529	45255	14371	15703	56234	86601	27243	22261	25570	26041	48541	44676	28516	25194	1	14751	26054	19256	32402	28637	40679	31166	20262	33911	386796	625215	643215	652341	482286	411426	424431	396246	449744	421618	171977	151573	150530	143677	114713	103357	108188	123930	59075	49538	51045	47865	66124	68425	49925	53815	64855	98511	86031	95088	130749	147016	131250	148048	156838	148707	134368	156126	1	1	17205	1	1	1	1	1	1	1	1	20477	16624	1	18532	1	1	1	21514	1	17530	17698	1	1	1	19852	21730	1	1	24038	1	1	1	1	31578	20310	1	1	20292	23857	1	1	18169	17962	19303	22369	1	1	18809	1	15720	17127	1	13421	15748	1	1	1	21933	1	1	1	19449	21099	15098	16223	14505	17765	1	12774	21858	21864	28466	28625	15603	1	25607	32094	22997	10501	1	1	25643	24377	14126	1	13807	15871	1	1	17265	15427	21818	21190	19745	17891
250.0539@1.073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14226	13732	1	1	1	1	1	1	27320	28616	1	1	1	1	1	1	1	1	13031	11836	11530	12430	1	1	8124	9353	11781	11914	17857	18148	1	1	21920	21396	19139	19326	1	1	9030	8941	1	1	9501	9258	1	1	7093	1	1	1	9415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
935.5592@0.86600006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7246	1	7689	9983	13610	15025	11035	6002	12791	13813	9422	6354	13083	17303	1	1	9878	9708	12472	16417	12102	15662	14366	14614	8165	13005	6695	9367	11482	18881	14981	10029	15504	12411	1	5786	15399	9489	14895	10486	1	5915	13043	12261	7264	5969	9752	11197	6535	10801	9783	11792	7428	7357	8456	7155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1101.7343@0.84400046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16291	17341	16870	16374	16915	9744	19555	18287	14290	22260	14652	16290	1	11542	21816	22422	26515	27307	25769	11779	1	1	9282	9321	12606	11486	14046	21731	7765	1	12744	13949	12338	10741	15911	22796	19482	13687	18551	23649	26065	30474	18739	21009	27005	28402	24442	27484	25796	23992	21903	22778	24655	28233	32124	25371	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
9-hydroxy-10E,14Z-octadecadien-12-ynoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	132858	1	1	1	1	1	1	1	1	1	1	1	1	1	56065	53156	56688	54108	68175	73300	43723	52044	57077	66980	52045	51990	38804	43837	43181	39304	52443	46036	64988	68824	16429	17620	70909	74705	23020	21142	33850	37364	1	24138	18635	21845	1	1	29870	28935	1	1	1	1	23878	1	46086	45272	14892	1	53514	55092	51836	53971	92279	30018	34372	28021	1	11351	1	1	18030	22585	1	1	21703	22479	23292	17372	28745	23390	52343	52183	64410	60173	24249	24262	60095	34496	1	1	60786	63515	38306	42290	67156	30657	1	1	1	1	42319	44962	37932	35820	1	1	1	1	1	1	20890	25881	1	1	17726	16911	23476	18700	15090	14133	1	1	1	1	1	13147	1	1	1	1	1	1	29419	29331	1	1	69071	72057	11399	10658	47107	45174	16502	17871	35758	36057	14267	14686	16521	14289	32225	27349	32337	31006	40858	40976	30162	34778	46189	44085	15219	14199	1	1	1	1	18753	15856	59713	60803	27342	28443	14680	16125	27161	26768	15321	20358	46218	42354	1	1	31343	11839	24917	26835	13247	12030	1	1	28547	28203
362.9493@0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9454	11521	11308	10249	15528	16713	1	6952	10794	8923	19948	21328	17653	14956	1	1	8176	8765	6905	8620	7559	8950	17580	17651	15880	17144	18942	19591	16241	18156	14315	13836	15358	12522	6540	7778	18284	14488	17612	17182	7514	8704	17867	15907	1	7919	9435	11953	15162	15257	9396	11636	10785	10551	8971	12622	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
726.9518@0.89200014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6006	1	1	1	11951	13212	1	1	1	1	1	1	11066	9470	1	1	1	1	1	1	1	1	8086	9648	10054	8055	1	1	10274	8740	10023	8790	9800	9464	1	1	10141	10715	9892	12187	1	1	9672	11044	7324	6727	6009	5898	1	1	5902	1	5804	1	1	6299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83900034 :69	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17534	18114	23547	23195	17243	11091	23229	21269	23211	21051	18402	21778	12481	11685	43109	47384	38420	40297	26713	7986	1	5867	9230	10596	12714	11072	15050	18589	13227	13533	15897	13619	14535	17014	22890	36563	15313	19695	20669	27370	41821	38298	28979	27956	37662	38946	43032	40521	35081	32449	41752	39448	38577	35297	67481	42782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
678.0981@1.2455297	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12138	12770	1	1	1	1	1	1	13665	11518	1	1	1	1	1	1	1	1	8421	9151	8341	9500	1	1	10536	12072	10609	12609	9187	11530	1	1	11169	12351	10278	9222	1	1	10733	11476	1	1	1	1	1	1	1	1	1	1	1	1	1	6033	6801	7007	6139	6002	8398	7996	1	1	1	1	7155	8167	8490	6331	8432	6827	7135	7850	6645	6531	1	6804	6249	7302	8212	7250	1	1	1	1	1	6507	6219	1	7592	7601	1	1	8159	7476	1	1	11618	8390	1	1	1	6468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
KAPA	12795	12659	9327	8946	10426	10399	11279	13273	8858	7993	10775	10955	14415	15893	14079	14879	12214	11272	10242	11080	11298	12595	31570	33498	21177	18611	14112	12743	16525	17052	15435	15937	13891	15372	16945	18450	15866	15834	14362	14631	17462	15560	24452	24228	15054	14508	21047	21182	13604	11714	1	1	19239	19259	10910	10837	17037	14671	8717	9838	13035	11075	9457	8751	12160	11141	8794	10058	10592	10123	9414	8932	1	1	12323	10241	11790	11825	9568	8703	9042	9898	9630	10704	8116	10599	9712	9406	1	7026	11530	11905	1	1	9301	8993	8482	1	7474	10917	10650	10473	6503	6175	11070	9174	10228	7562	10062	9443	9676	10887	12481	11901	9284	9504	12323	11483	16648	17877	19634	18227	22982	21097	21963	25298	10608	10520	32382	33869	13347	13636	14403	14359	10761	9015	18421	20493	15452	17329	10407	10752	16392	16599	11385	12961	11261	10667	16712	16931	12137	14456	11799	13844	13779	12518	11563	13688	16166	13258	24954	24503	18535	17016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10987	13414	1	1	1	1	1	1	1	1	1	1	6263	1	1	1	1	1	1	1	1	8097	1	1	1	1	1	1
C4 H8 Cl2 O3 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29468	30708	18219	21038	28050	26953	21672	19916	20288	24435	25290	21457	33691	31676	19551	25092	25402	26713	19540	24345	20906	21268	28008	23199	26341	26054	24432	22011	37372	38205	30573	31787	25759	26604	21575	16983	27033	28965	27714	25969	18832	12455	26107	25591	24118	21729	21937	23621	24091	24867	24626	22212	25582	25032	20818	21717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Nabam nullnullnull 0.79084295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105844	114544	80515	77873	6706	7788	102208	100079	113009	112925	92767	89126	14332	13686	88225	74765	132015	127684	126014	111795	62006	69768	24910	16218	85045	83401	91139	94972	16419	16313	7401	9216	109578	107736	33094	64317	8800	14561	118962	125981	147773	141222	7428	7500	118337	126626	144813	143329	155250	157049	103934	105501	137187	141135	129845	165297	101770	104899	106355	108868	110875	114528	115035	120548	105480	112598	44059	104517	96701	97564	78228	80537	100452	101807	78834	80228	85175	87135	113173	108652	97277	96908	114961	105967	85722	86603	108368	107887	105829	100952	117380	116448	108725	109976	99433	100603	37503	36734	104329	108071	110000	104645	55649	82099	87384	92177	25975	28181	30779	35680	32493	36914	66206	66860	38226	36842	46878	42893	36122	36726	25939	29251	23322	25169	25896	23394	22652	20665	34400	35726	30942	31672	16632	15447	53890	51568	22753	22041	29064	30027	22394	21740	44832	31434	35008	39306	20419	24647	15947	18108	18519	17537
1040.8035@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10092	9733	10748	9933	11527	1	10167	10363	9999	12948	11356	11421	13935	13890	21723	17527	28112	23448	13756	1	1	1	1	9272	1	9676	11087	14686	15387	11792	17111	18037	14314	15803	8144	11410	22733	18204	20110	17416	19692	24929	12306	16465	14090	16068	17760	21962	28687	25704	15849	17334	19599	22968	21177	18039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isorhamnetin 3-(2G-rhamnosylrutinoside)-7-rhamnoside	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8848	6453	8912	7781	10334	9925	7793	9745	7410	11366	11966	10326	7671	7793	11738	8261	10669	12632	7548	1	1	1	1	1	6762	9790	10483	7957	10817	8142	13175	8284	10340	12236	13156	14365	15281	14218	16041	15216	11770	13349	15307	16196	11333	12177	11095	13329	11064	12377	9681	11692	10469	12825	15324	13450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1082.9144@0.88299996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6804	1	14522	14670	1	7531	1	1	1	1	16450	13190	1	1	1	1	1	1	7160	8408	11851	14606	12417	10916	1	1	13802	11651	13850	18315	11830	13103	1	1	11572	16690	13842	12295	1	1	15186	14163	1	8306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
834.951@0.84199953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9161	1	1	9709	11206	1	1	7612	1	11162	11827	10925	9117	9187	9410	11799	10980	1	1	1	1	8418	1	1	1	10595	11887	15149	15811	12292	12269	12105	10584	1	1	12538	12136	14598	6575	8466	7725	6693	14249	1	9004	11665	11312	17056	16003	11383	11623	11134	9844	13742	11457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.9865@1.0940008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45968	46056	45876	42520	74711	67702	33487	84914	29031	34125	42291	37966	29925	26559	29715	28070	153640	151206	169592	192450	136276	137396	75065	69994	94181	86119	122897	121431	95118	90216	74823	81950	104134	99989	26340	122856	112630	95664	93029	95895	133417	131301	89868	87496	51294	51569	184121	155699	162866	152232	49545	48871	120836	117084	82335	159404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1166.6768@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11008	8782	11145	11377	8646	9221	12918	17851	8511	10763	11617	9950	9660	9449	8064	8760	7612	11648	10885	7361	6800	6739	8997	1	7862	13255	9561	8240	13637	13263	12346	12662	13610	14317	11632	10617	13880	13307	13449	12722	6876	12265	12900	8241	9988	8868	10044	11445	9507	9697	14193	9404	11335	9227	12811	10616	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
181.0665@1.007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10348	7232	1	1	14422	11411	1	1	1	1	1	1	14436	9990	1	1	1	1	1	1	1	1	16719	14676	11017	7963	1	1	22307	24815	15498	18051	12861	17358	1	1	18057	22092	16563	15992	1	1	13026	17953	1	1	7713	8263	1	1	8332	13945	1	1	1	8777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H4 Cl N4 O9 S4 nullnullnull 0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26255	35085	32805	29861	23794	24968	32157	33597	28935	32106	24166	26819	23655	27880	17876	19589	27452	30230	31527	29902	25999	24961	22487	22287	26343	30096	22651	23480	18394	19747	18723	18555	22444	18352	16738	15285	23145	21605	23745	25376	28774	32172	23560	19765	28569	29267	26978	26496	20104	18627	26369	36578	33081	28921	31358	29745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
931.6254@0.86300004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7667	11121	10219	9168	15322	12404	9014	12457	7617	13023	10576	7724	19726	21038	1	1	1	11805	8763	12158	13131	13534	16640	16911	10196	13196	13547	8088	13298	15844	14630	16108	10824	13400	6251	6074	15930	16788	11574	9987	8296	7413	11988	13873	6542	9810	8328	12403	9687	8631	8957	1	1	9601	9640	10555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
914.423@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10409	11720	11946	13031	7779	9726	16181	12523	12580	13894	12462	13263	1	7531	7046	7259	10300	11378	11633	9414	10546	12309	7207	1	6095	10043	10262	10291	1	1	7184	1	1	1	5884	5947	1	1	6533	6795	8955	10449	7084	8955	10859	12505	13570	13511	11442	9946	11497	13321	8636	13840	14284	15439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.92@0.84327066	8659	9827	8414	10298	8770	8424	8442	9311	10113	1	8966	9039	7599	10428	6347	9116	10402	7738	7363	8580	6780	7681	8507	9620	8187	10540	9713	9597	10090	8582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12428	12971	9903	8210	12352	10379	1	8638	6953	8848	8580	10024	14675	12388	8759	7440	10018	8434	7327	7178	1	1	11835	10894	9652	11408	10450	9159	13422	11337	12322	16023	14005	14704	1	8813	17890	18646	14835	16188	7029	8652	14708	13059	12023	12990	10979	11017	8052	10941	10483	17032	11310	11571	16895	14739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6315	1	1	1	1	1	1	6096	1	1	1	7034	7955	8389	8198	1	1	7322	7469	5985	7673	1	1	6631	1	1	1	7509	6784	1	1	7049	6057	9631	7650	6233	7742
146.9392@2.8679993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27506	1	1	1	1	1	1	1	1	1	1	1	26571	70316	85350	50196	1	108959	1	63842	1	1	38454	76103	65147	1	144675	78418	1	1	1	1	1	52679	94483	108878	37822	35170	51913	1	83884	1	64814	89225	24398	41577	69743	1	45481	109671	25629	69388	1	77537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1017.2271@0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8879	9845	9881	13860	9222	8539	12511	12557	10226	13250	15218	15778	10031	7230	8032	6728	14341	12521	9512	8265	1	6841	1	6617	7222	6780	11296	13495	7913	9821	12894	11019	10600	10167	8856	9696	11376	15442	11359	8499	12520	10644	12868	13000	11710	11518	13792	13274	13722	14546	12854	13796	14035	14230	11482	10972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Proscillaridin A nullnullnull 7.6195235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52038	56008	53631	59280	1	1	1	1	53258	54093	16356	14390	12645	12346	89947	92966	47507	47237	17310	16172	12696	13826	1	1	56434	53631	103767	102902	12364	11776	1	1	60375	61071	33152	32263	62340	59146	196312	187057	30756	29925	1	1	1	1	16900	14668	1	1	1	1	11697	15487	1	1	21493	23025	1	1	27690	29403	19723	18436	1	1	72689	75515	16754	18511	15082	13814	32210	28646	37182	37399	11110	9788	35127	35791	54716	55530	76990	75335	21393	22696	257735	264656	104254	100658	100476	99329	52319	53341	139488	140796	34520	35231	1	1	204249	200979	18598	19568	11384	8896	62881	64759	269168	266013	57570	56286	1	1	26945	26827	8816	1	1	8648	17713	18944	9579	9431	71822	72769	1	1	13136	10987	13251	12021	13980	13343	20234	20466	7880	9423	12943	12309	85722	82857	1	1	10396	8517	16256	16018
156.0422@1.5262322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59134	73902	1	1	387020	369415	1	1	1	1	1	1	1652264	1707867	1	1	1	1	1	1	1	1	793198	660811	511101	424922	1	1	1	1744874	969034	989920	1507080	1474579	2028805	2041405	219867	210548	970882	924714	1	1	421786	131644	26217	1	1	1	1	1	1	1	1	1	1	1	18251	20403	22202	23932	29459	25268	58613	58999	18863	1	31350	27309	28545	25362	32193	33620	27831	25071	31340	32446	21742	24975	25340	21134	21359	25701	28720	25951	27745	13027	1	17674	20426	22100	18744	25852	1	25647	30441	33624	35393	24480	20030	23811	37138	33461	26081	30933	23273	24811	48538	46245	34219	27120	56884	56801	31363	31619	80399	73208	37067	41713	58963	61213	25716	32854	49987	52244	23741	30692	56252	70526	78957	64479	38829	33156	169557	162558	62469	84024	34096	36769	62796	59521	42500	39180	53414	61251	30294	26244	56459	55058	132659	135960	79868	75510
817.8247@0.8413698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55032	48538	56897	58335	63375	59663	42581	46166	47131	52757	30421	35020	39330	46129	48149	49071	37185	45715	39846	25988	24766	26711	32863	33938	48210	49644	31171	28714	34950	37226	48249	46824	49202	47048	60143	51623	50503	49809	65451	58167	52510	57156	67111	64227	62091	66285	63662	61391	34618	30759	62474	61416	52327	55216	80809	69278	15476	14671	13630	15307	17130	15670	16181	10945	17355	16291	16308	18619	15509	12108	15066	16813	13504	14534	14578	14482	16525	15873	17217	18260	15356	17466	15376	15522	14399	15833	16355	14101	12913	15374	17754	12586	17004	10998	15395	14158	13378	13152	9676	12023	20763	15906	14599	16266	14487	14232	14662	14081	14806	13448	12761	14815	15513	15245	16384	24111	17122	14834	14370	15925	14131	15501	19099	15481	15796	13787	24738	27897	24487	28741	15946	13308	25913	23269	26720	23597	14683	16013	22727	23414	12747	15647	20925	21631	15447	14761	22910	22189	30665	29025	19415	21987
977.9256@0.88400006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9183	8138	9732	10236	10767	8076	8523	1	1	1	6582	13063	13524	1	1	1	1	1	1	1	1	11475	10828	1	11020	1	1	12443	13304	14655	13397	10877	11954	1	1	13681	12298	12467	13388	1	1	8784	9359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1020.3077@0.84400016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7834	7963	7696	1	8022	1	7724	9227	9566	13439	12686	12751	1	1	16108	14067	17886	16761	11309	1	1	1	1	1	1	1	11281	15216	9089	1	7247	1	7727	7502	8879	12454	10246	1	9101	10700	18158	18969	9608	11178	13215	13716	16240	12489	20789	21190	14944	12975	16956	16000	17195	13263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 9.396064	8353	1	1	1	1	7644	8725	1	1	8020	1	8576	7588	1	1	7568	1	7161	1	1	7072	1	7103	8988	1	9962	9190	9769	8677	9765	8412	10745	8972	10086	10587	10020	9312	9694	8912	8509	10615	1	8511	10487	8544	9669	8049	10107	7593	10507	9639	9418	7992	7490	8665	8828	7801	8168	6646	1	1	1	1	1	1	1	6947	1	1	1	1	1	9083	10780	9755	10775	8605	9135	8112	7093	8221	7390	9962	8962	8700	9133	8902	6992	7447	7672	9292	7889	1	8954	7977	8536	7563	9182	7846	8347	8345	9344	1	8875	7864	8050	7603	7996	9292	8711	8894	9847	40893	10129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8487	6785	1	1	8284	1	1	1	8329	9275	1	9803	1	1	1	1	1	1	1	1	1	9248	1	1	1	1	1	1	1	1	1	1	1	1	1	7707	1	1	1	1	1	1	1	1	1	8024	1
1015.7004@0.8499997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12303	11777	13587	12804	14576	16314	9753	13930	12021	11907	7180	7772	13973	12663	7523	7724	10170	9805	10710	13798	1	9035	12085	8462	10828	14070	7286	9429	16879	16211	18585	17487	17052	20688	11307	10854	20623	17865	19052	16722	11326	12125	16022	16895	13670	10243	9232	13452	7639	8262	12535	12856	12607	10782	16041	13621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8499998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21133	18236	22442	20860	19963	18600	21291	1	1	18319	15890	1	16077	13691	18902	19099	25586	19802	19019	12803	13896	9224	14783	11014	15555	17282	15262	19030	15259	15031	12341	12556	12673	11472	14007	20659	16031	17519	17831	17500	19897	20420	18574	19670	21636	18529	25886	21954	15272	7484	20406	19748	20405	24558	29740	18790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868 :70	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15853	14532	14799	18059	13715	14785	15881	13505	17459	16391	13281	11916	15012	15216	8465	8501	13019	13447	19679	15500	15471	12966	12958	13506	13861	14448	14776	13629	10839	10049	12266	12908	13443	12080	6702	8472	12506	10609	14583	13452	11659	11420	14803	11864	13529	10533	11688	12169	16527	13577	9916	11733	16085	13573	16179	16269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
190.0953@0.98100024	123998	132014	141264	150454	69697	69689	226369	231628	141624	130955	41666	42336	88700	91511	101769	98584	118629	125336	100062	101648	60019	66683	207779	218289	75194	80957	135472	132112	233810	220869	105010	21425	189482	182799	25464	111059	97094	22899	51348	51473	109033	22820	30995	28652	38424	33353	70454	72806	33203	35193	43903	48135	66610	66782	41275	38782	37881	42967	1	1	1	1	7063	1	1	1	1	1	1	1	13147	11424	1	1	1	1	1	1	1	1	11282	11170	8453	8899	1	1	13726	14116	12624	11392	13880	13134	1	1	12328	11669	10866	13384	1	1	9012	8653	6252	6777	1	1	1	1	1	1	1	1	6722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
175.8735@0.863999	68928	68296	74780	68662	79787	75876	61854	62752	76823	74818	71297	72465	76932	81240	71333	67809	78518	70309	71629	72836	74812	72481	59919	58602	69121	77378	71812	70789	62017	63941	98971	93683	98381	95676	95398	99362	105293	99043	93834	92871	95500	97134	94944	95568	85918	88041	87119	97470	87735	93385	58341	56119	91791	92395	110980	100934	97436	101782	64682	67343	72107	74790	41067	42019	85763	86431	88716	90740	86192	87904	27026	24501	46550	42426	80680	78210	80043	107571	89126	87090	36534	36015	45793	42102	77184	80284	14490	14126	23116	17963	22374	22052	40489	29838	23905	22544	33067	30696	71328	69894	37762	35807	57902	57031	63756	61274	86918	84540	58021	61252	69590	66475	57314	68192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
677.5205@0.8639453	17345	17124	16135	16223	19961	21059	13976	18186	20166	15220	20288	21507	19684	22517	18179	18619	21389	17451	19128	20993	21671	21245	14643	15552	19734	17606	18752	15552	12549	18107	31324	33051	32266	30379	35500	31556	31944	32391	28899	31025	28299	26414	31241	36140	27953	27222	28555	25162	31713	38555	15107	16694	28444	26456	47119	48276	27120	24293	9090	8121	10342	9407	1	8647	10671	10457	10957	11922	9153	11481	1	1	8529	7988	16067	14620	8914	8027	6867	8196	6614	7747	6940	6773	9041	12157	11927	12154	1	8010	8174	7721	6939	7016	8380	10639	6462	6903	11884	14108	8607	7936	10024	14107	13258	9754	11932	13807	13345	11081	10029	11733	12076	12312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
122.0375@6.3130007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10123	1	1	1	1	1	16723	1	1	1	1	13618	1	1	1	1	1	1	1	1	27919	1	1	1	33747	1	1	24702	39495	1	1	1	22174	37083	1	24238	28138	1	30618	38682	85129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Acetic acid null 0.92393935	1	10524	14401	1	1	1	1	1	1	24233	1	13914	15146	13646	1	1	1	1	1	1	1	15393	1	15392	1	22450	14814	1	19121	17160	57148	38524	74740	71809	42812	24514	22847	16467	65525	63285	40626	28960	43630	43070	40032	43941	64363	73183	17408	31702	44440	14169	74267	71927	21925	12087	51429	68944	12539	1	1	1	15131	15323	1	1	1	1	1	1	15787	16946	7481	1	1	10370	37800	1	36253	24671	13938	20964	25760	29741	1	1	23703	34253	33417	14328	13944	20071	1	17416	16436	12512	33770	34736	22777	51677	40186	32049	7986	15772	25120	31058	36786	8759	23968	55209	22311	18702	35356	22061	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.829@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29746	29598	32101	32234	30951	26249	33909	34148	33963	32138	31022	30858	29452	27196	45044	42914	53826	47206	36707	14784	13087	16693	22518	21750	24378	26866	26335	28710	37483	32615	33695	26469	35360	31134	22955	25602	35662	34308	33805	34544	57927	53282	31189	37984	46637	45937	42236	43204	50778	51811	39941	44051	49798	43382	55047	44792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H14 O21 nullnullnull 10.277002 :71	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46331	52195	46070	48857	45644	46133	46667	44520	45165	48959	44881	45575	47437	44716	37234	41989	38277	41198	39644	35686	41386	37603	21320	29590	32182	34890	35834	38390	37472	36969	35748	64132	38751	39431	38698	43185	38269	39986	31550	34429	39660	38866	34301	34752	38202	40122	33587	38870	44263	43373	36847	44833	41123	39789	797921	46874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
525.6838@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13304	10714	12619	17297	16188	16171	15237	12962	9189	13948	15919	15560	14728	13864	8737	10743	13970	16195	13764	14166	11944	16637	14880	17057	12962	14242	11484	12783	12633	12794	12216	13399	11046	17055	10283	7967	11513	16933	13612	15098	15652	12108	13776	13720	13751	13022	10258	12848	15190	20419	15719	12296	15761	14174	13953	12551	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
312.1607@8.835893	8047	6522	1	1	1	1	1	1	1	1	1	7584	1	1	9445	7617	12324	1	6130	1	6899	7356	6519	8939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7443	1	1	1	1	1	1	7923	1	1	1	7108	8424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8563	1	8373	1	1	1	15122	1	1	1	1	11524	17227	1	1	1	1	1	1	8815	18048	7788	11422	11044	6961	15517	8492	8806	1	6232	1	1	1	1	1	1	1	35480	9725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
908.6525@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13684	12444	9419	8808	14794	10265	16719	13430	13243	14949	9684	10263	9618	14393	1	7552	14129	16763	13968	18552	12216	12612	15030	9996	12309	15680	15230	7322	16868	13080	8981	11403	12971	7774	1	1	10762	11431	13877	10926	14590	11309	10829	14270	12528	12637	9721	11657	11884	12373	8192	10827	13237	12535	15358	14624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8440003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7746	7501	8666	8967	8581	10300	1	7544	6183	7425	8459	8692	6881	1	5496	8576	6358	11003	1	1	1	1	1	1	1	9035	6912	6457	7904	6141	7983	10471	10694	9953	9276	10402	11741	9939	12335	11861	9610	7870	10900	11392	10423	11087	7945	8287	7024	8073	10946	10174	6881	6587	9660	9028	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
465.9436@0.8679999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12876	9598	16511	15035	1	1	11677	11678	12867	12243	14047	16037	1	1	1	1	1	12263	15471	13914	11507	10138	10182	11552	8483	10058	17430	14204	9364	11646	14789	15332	1	1	13429	15156	13785	13234	1	1	11897	10696	1	9483	10111	10064	1	1	1	1	9255	1	10615	13048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
655.6837@0.86484474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26980	23194	26867	22339	37278	35079	18540	28729	20864	27203	14638	13405	30392	27184	10706	12860	18292	16973	22501	28496	30093	21469	30660	23734	35557	28853	19867	17408	25762	23779	27242	22675	27199	30712	18368	16876	34332	26024	31979	36478	22907	22932	31864	30631	22324	24900	19782	23962	17701	16704	18283	19870	20765	22213	26922	32025	10552	10065	13107	13950	6318	8543	9093	13531	12849	9082	9775	13778	9437	12523	9273	7822	12139	11594	10324	12277	10827	8113	11710	12103	9785	11688	13949	10003	13223	8503	11648	12589	8491	12422	12195	10678	11320	12980	12302	13678	1	5639	10196	10441	1	6916	12059	12991	14410	9471	1	1	1	1	1	1	1	8181	1	7810	1	1	6515	8504	1	1	6928	1	1	1	1	1	6415	1	6936	1	1	1	1	1	1	1	1	1	1	5762	1	1	7644	8688	1	1	1	6330	5717	1
797.8389@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33311	26141	25229	23614	26878	25716	20527	20858	22275	24346	24048	21992	28182	23791	29034	30057	36442	36407	22665	6166	11326	11721	18208	25458	21355	27720	21972	21916	41023	34011	33153	35824	28143	29829	23850	28546	33561	37605	33220	38750	34328	31955	37902	36376	33028	38494	35872	35531	37221	38280	36258	28501	34872	40229	42981	38232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.87200034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11133	14425	6931	10552	9610	9651	15520	12450	13358	16569	9049	10966	12652	10319	1	9468	18092	15042	17206	18543	10313	11611	8625	8754	14318	9073	9659	9942	14171	8148	7488	9705	83475	8173	1	1	9530	9088	10848	10616	11295	12835	9680	11415	11198	10692	12244	14394	18411	22116	7392	12334	12447	14260	18192	11858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H4 N5 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27197	26945	33374	31205	43856	43478	29503	26975	32897	33828	28153	27584	51831	53446	14478	14013	24963	25754	23049	23147	27973	29588	39115	37647	27278	30443	26961	26359	41617	39767	39829	39855	42233	42768	15657	20563	46850	41140	37430	33556	26196	25495	39336	37747	31873	30602	33720	32935	23709	25667	20552	19233	26575	22603	44044	37096	1	1	10948	11933	1	1	8496	9767	1	1	10488	10131	15273	10319	16871	16719	1	1	8766	9231	1	1	1	1	10222	9828	11618	13003	8550	12707	1	1	15638	13962	1	1	18070	18329	1	1	1	1	1	1	7200	1	10839	18621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
477.9437@0.8630002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8296	1	1	1	7285	1	7195	10985	17770	15716	1	1	1	1	1	1	1	1	13138	9160	11235	10991	9178	10676	16964	14857	10150	9999	13755	10735	1	1	16352	13379	13099	14093	1	1	11059	11306	1	1	1	1	1	1	1	1	8335	1	11399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
696.5662@0.864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9978	9476	10171	1	8853	10766	8307	1	7569	9510	6605	7159	7135	8218	1	1	1	1	8155	1	1	9285	11299	8254	11469	12078	7466	7318	7384	9689	10921	10633	12094	11523	9261	7758	9491	8965	12205	9346	9351	1	8949	9614	1	8667	7459	10904	1	9448	8263	10597	10091	8313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.8917@0.84104335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14112	1	1	1	1	1	1	11401	11819	9844	9005	1	6803	1	1	1	1	8072	8317	8327	9293	1	1	9266	10207	13347	12891	9309	15281	1	12936	13961	18374	14846	11302	9524	11485	17048	11834	14540	13976	11806	9458	1	6146	13515	9126	12264	12978	18445	10224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6758	1	1	1	1	1	1	6349	5681	5810	7308	1	1	1	7427	7643	7240	1	1	9368	8339	1	5917	6955	1	5667	8704	8760	9018	9356	5876	7123	7444	7918	8306	9708	6588	1	7986	1	1	1	6049	9222	1	1	7399	8012	9234	8270	7163	8177
221.9369@2.8300838	51668	28785	40340	42711	53509	36222	53055	27181	24582	31201	155563	55532	35853	24888	24330	39252	50706	60629	30556	188000	42134	1	28634	48916	58117	31022	37885	41705	302069	26814	84201	66985	64540	36013	48556	85914	34637	45376	339243	34750	104638	35008	18666	95280	69088	1	34031	63472	94605	18664	1	49217	73082	43964	1	17363	70728	58515	1	1	1	1	1	17546	1	1	1	1	1	1	1	1	1	1	25589	69797	29621	50448	61974	72230	44812	57281	1	130376	60113	37585	1	51205	79210	53987	51917	21451	1	35006	38047	63871	93097	43753	57005	32810	102829	33400	57385	62016	63476	42988	43041	1	28787	35444	64836	21796	22825	75109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
858.0671@13.396569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12333	11810	18888	11475	10952	8097	10374	9146	1	7966	12858	1	10427	1	8271	12885	12086	9606	10325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10800	16470	1	11511	1	11796	12381	14351	10003	1	9488	1	1	12673	1	12069	13758	1	11992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.927487	24276	25199	22120	20333	34013	34473	16377	18720	17051	16044	27842	28882	24714	24413	34483	32015	16079	16091	22522	21424	35051	33130	21746	19598	23392	23221	26328	27180	19199	18018	48727	46510	27499	26603	32850	30536	42144	43896	27933	28523	46963	45883	61773	60991	89590	92300	51686	49826	64833	69670	101027	76890	35751	37360	53548	50186	26967	25799	19682	21309	33364	34677	16016	15023	31657	34106	27428	27808	46147	39325	8659	1	86001	81289	53203	50928	40299	38512	53589	55464	56965	60340	35496	32130	68088	68263	13010	13213	22294	22629	20731	19954	53562	107047	32250	30742	29424	32000	63249	60410	41249	41689	59653	57687	44726	50811	56911	60421	71820	68498	52701	45587	35981	36404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 Cl2 O13 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16605	21366	12160	25808	16913	18700	24130	19967	33600	26414	15625	16174	12799	13127	13449	1	1	24869	13422	16617	19704	15529	11794	12318	10844	14648	22653	16106	10683	11983	12790	10937	13177	1	9279	6322	11932	11615	15754	14067	20475	16799	1	14992	19247	18606	15976	1	1	24908	1	15367	22091	16506	1	21258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
924.8294@0.83785117	8245	7737	1	7528	16902	13729	1	1	1	1	13223	10681	8048	12819	7206	1	1	1	1	1	16996	16437	1	1	10331	11472	1	12816	8107	1	37828	38822	36987	39434	39143	40205	44144	38918	31310	34615	35275	39330	42473	36955	37565	36600	34086	34369	45302	47648	39312	36555	35542	41020	48143	48988	36607	38133	10289	10817	1	1	1	1	10043	9257	8603	8252	8948	10262	1	8974	14630	11262	17178	15403	11265	1	1	1	10053	1	10513	7923	11180	10943	10882	9268	11947	8840	1	1	1	9044	6764	10540	8997	14131	15238	14110	1	10705	11662	9574	11624	9060	17818	18201	15998	12637	14453	9165	14495	11086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
573.5799@0.8646314	1	1	6667	9172	1	8480	6543	9319	8942	1	7023	10467	6657	8174	7490	8451	1	1	6769	1	9150	7377	1	6705	8583	8897	7311	7570	1	6414	1	1	1	1	1	1	1	7920	6557	7980	1	1	6246	1	1	1	7081	1	1	1	1	1	6541	7077	6990	1	7387	6984	8909	6524	7003	8008	1	8142	9302	7605	10638	9043	9816	8818	1	8169	1	7937	12305	10799	10651	10275	1	7890	1	8462	1	1	11676	8672	8313	9514	1	9101	8220	6696	1	1	11336	10247	7361	5955	9645	7744	1	9407	6489	10138	11231	14067	9290	13068	10421	8488	10917	7446	11172	10777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Oxaloglutarate nullnullnull 1.2685565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58702	56748	44869	37177	109457	104261	64874	62726	45997	44497	30858	31995	73892	68203	38147	31477	42974	44984	47026	45431	56569	51847	75235	74064	88851	88714	35077	38774	99480	99685	101758	106242	66566	71090	26748	26439	115438	101512	88483	99733	60766	59351	135281	134233	49062	49666	50221	55327	55405	57731	48042	48635	39872	38445	1	50172	18587	23377	21177	24823	56863	22479	24197	25381	19124	17937	23832	21861	21652	18931	62084	25054	21445	25067	22974	23705	22107	26354	27345	25405	25797	27825	27735	23337	22595	22485	17402	17010	21951	48674	22308	52589	20942	22034	19749	25339	55421	53719	17589	48447	1	63941	56137	1	20209	24348	74029	72077	88971	79990	76594	74580	57832	59982	104170	102013	71574	80171	128069	122412	68774	66707	74117	83309	62326	62002	127362	126312	109391	109941	78446	84174	163366	153629	123036	118513	71355	69220	104685	104302	67710	55950	126643	111681	65982	58705	110044	118116	145833	154385	118394	120730
411.2045@11.088004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20052	23247	33170	30781	1	1	1	1	1	1	57022	55910	1	1	1	1	1	1	25826	24986	115802	99542	122332	97909	15305	13638	68144	61473	77245	73089	65975	65509	1	1	93695	92395	104618	100233	14128	14965	74659	79927	31151	28825	39933	37745	1	1	24897	16449	24402	21323	30485	30155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PG(P-18:0/20:4(5Z,8Z,11Z,14Z))	8453	8925	7451	8353	8777	7517	11289	8250	10323	10607	9752	8636	13704	9929	5988	10075	11602	9089	9525	7086	1	5835	10174	1	6981	8392	8304	8492	8459	10391	7577	6445	6440	6424	9552	9447	1	1	7129	6597	6155	1	6501	7641	1	1	1	1	6383	1	1	1	7350	6368	6353	1	7482	6610	7923	11221	8720	10644	9254	12329	13306	12062	14622	10874	12003	12305	9447	5838	6730	1	14263	12768	10962	12741	11744	11206	10209	9356	6875	7543	10131	12504	1	1	1	7211	7672	8738	1	7142	6636	9068	5459	8124	7327	10961	8927	11342	8518	5834	9727	9202	10699	13048	9678	6889	12711	9927	12960	11364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
715.6411@0.8646697	11590	16388	22648	19610	16546	11686	21335	17655	23129	18757	15451	16940	19475	16437	13029	13636	18569	21630	18688	18487	12875	11352	19054	18179	24386	16919	16541	11879	16643	27141	13134	10571	9221	14919	8654	14083	13200	16703	10955	10041	12234	11044	11595	12497	8013	16939	10919	15368	14306	13297	1	5997	9606	11378	14343	16494	12411	13450	10026	13668	10985	13959	18356	16003	11030	13802	14812	15435	12561	8346	17829	11404	1	1	12292	7500	9467	15879	12980	17708	17223	12995	21936	16977	12400	1	14029	8095	12033	13229	13858	13517	8053	9866	14401	1	10465	11118	9362	6239	13741	15458	11868	12754	10697	10700	9578	7163	10654	9186	9463	10378	13096	17399	7163	5827	8245	6795	1	1	1	8324	7825	1	1	1	7833	6038	6491	1	1	1	1	7273	6511	1	7719	1	8804	10092	1	6963	8632	5878	5720	6174	8637	5700	9316	7683	1	7579	1	6884	1	6166	8073	7316	1	1	7461	6438	8374	7200	1	1	1	1	1	1	5657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7137	7315	1	1	1	1	1	1
340.2078@11.548616	49400	56782	78894	40589	96338	56775	73493	117276	99373	45967	85545	52253	59914	47367	62395	72318	138760	43062	51412	47810	69633	95040	43894	144468	62472	32746	49957	80529	55151	121490	136995	126959	86612	58819	87877	115603	28478	19050	75830	94825	111112	94889	22146	129687	92191	21181	50600	23618	53433	26362	49872	51676	60854	68681	24210	28586	95196	106685	50317	53196	47155	52347	47924	42590	45771	50915	49866	60247	53169	53569	51091	46131	55299	50178	33113	30501	19255	34384	37301	41191	132256	36790	47292	26230	52111	25913	1	1	1	34114	18041	21108	1	36818	32220	20571	39386	17137	32867	31298	26549	22350	18483	18740	42949	19267	27126	36531	38313	31300	29030	14175	248135	21973	23086	33399	43664	28904	33403	36779	27119	26962	34304	26077	30362	30145	38131	25785	30809	30822	18693	29676	23398	34167	40096	30673	46847	41428	46735	27420	21004	18511	25634	25801	31527	38225	39510	45355	41556	45489	23405	51563	46996	35890	45718	49180	83582	66406	23986	29624	32860	26343	38101	35667	102230	105906	88815	110448	99772	102471	47576	96438	99902	98997	114166	99613	95387	31176	97493	92604	85323	78269	81637	90202	147354	88149	86437	73167	90594	104001	89804	81794	46887	38375	93158	72727	104916	92719	73462	101369	115062	96410	91680	84776	98420	91006	99002	111249	106096	93686
Methyl jasmonate nullnullnull 9.030132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21633	17928	14899	10900	30042	22050	13478	11087	16031	1	1	1	1	1	10539	19973	15997	21156	23820	19955	36652	32770	143864	1	47622	13141	29283	26810	47034	28243	29258	37426	28038	32700	25283	33296	28566	51932	36297	37952	40051	32708	53223	32531	36742	34004	45420	30266	27243	34806	43454	36708	42014	31734	1909404	64354	27564	12899	15204	15888	14120	14909	13392	23166	14992	15031	13840	1	13670	13343	18160	18600	16425	14044	14211	16470	16358	16971	12991	20085	16023	16084	25215	18714	16874	15178	14749	15631	21334	19638	16221	18971	15122	13409	16358	14798	18621	14300	17902	18049	13846	17034	14442	15144	12716	15698	32966	54982	25180	21021	14986	13378	14021	14035	25864	13197	33129	36412	14629	17312	1	1	1	1	13832	38534	11077	1	11619	1	1	1	1	15038	1	13830	9038	12151	1	1	1	1	42569	39512	9310	1	11935	1	1	1	38743	1
C19 H21 N7 O18 nullnullnull 11.289999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79468	96741	92556	72351	79180	96626	96860	74664	80321	74439	89206	69182	69940	67226	30516	31460	26540	38617	36567	25773	31936	25032	1	1	23232	29204	23015	29496	28131	29374	33303	26226	30294	28752	30658	35727	36139	32927	33439	26173	28631	30155	27595	33091	31793	22003	59749	37632	28279	32370	31663	34969	23880	29526	1	37456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
943.0459@0.8770001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7168	1	7396	11817	9020	1	1	1	1	1	1	13268	15945	1	1	7035	1	1	1	1	1	9205	12365	1	10378	1	1	18488	16332	11579	14936	11712	11811	1	1	16990	11976	11898	10984	1	1	10797	9145	1	1	6792	1	1	1	1	1	6349	1	1	6816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8738032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11377	14905	9384	9170	12298	11855	17986	14493	19098	19866	14295	11838	15675	15993	1	9493	15649	23197	21693	18064	12945	9586	10803	14904	12352	15018	10678	12101	16152	13593	12395	12914	13306	13044	1	1	11563	6951	7505	1	17195	16504	14004	10958	9616	16182	14644	13480	23070	20421	9206	12019	15735	18225	15826	16771	1	1	12599	11046	14627	10119	10826	12083	10729	1	10651	10466	1	1	1	1	12044	10672	1	1	1	1	14677	12822	1	11012	14468	12448	1	1	14582	12713	1	11359	14429	15923	13890	10507	11047	1	1	1	1	1	11857	13559	1	10116	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10547	12560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
914.7936@0.8429998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11462	13198	13764	13742	13784	12931	11763	10052	12074	11249	9260	7258	16765	15392	19536	15961	16771	20688	16119	9045	1	1	1	11785	1	12448	10085	9712	15465	17027	15967	13377	20426	16798	15084	13630	18932	15801	18728	21505	16373	17561	22328	20763	22577	21197	18097	21307	16557	14886	21805	23591	22712	16874	25024	22696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
892.6034@0.86700004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11002	9900	1	1	1	6898	1	1	14062	11492	1	1	1	1	1	8381	1	10099	15170	9771	10910	7419	1	1	10882	16305	7308	8624	10771	11121	1	1	8834	8685	10036	8367	1	1	8927	1	1	1	1	7050	1	1	1	1	1	1	6767	7062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21417	23021	19108	19392	24525	23794	16559	17450	19852	20569	10502	13926	16982	25738	14242	16270	16460	15851	17873	14932	16725	13828	16731	11934	18973	27081	12299	11234	16961	20044	22433	27652	24776	23661	27486	27815	29538	23248	30934	27730	18914	21419	30134	27209	25334	25517	25319	19542	11688	14475	25040	21988	22905	21066	31426	26435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H Cl2 N2 O21 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16274	15276	13152	13458	9915	11115	7145	14676	11283	16315	8597	11459	13106	12232	1	6246	9101	9642	9087	8322	8225	8773	1	10802	10300	7737	11292	9541	11044	10340	8690	10241	1	9024	1	8481	10502	11464	12734	7641	12842	11188	10913	10358	11597	9503	9751	12847	11394	8218	9727	15170	9822	12163	12674	12588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H2 O5 S nullnullnull 1.0422989	16263	17400	12988	11992	10490	11679	7441	10129	9009	13056	13278	14434	29980	15875	18410	12971	96830	19743	23612	18738	13443	20847	9647	10629	14206	12004	13300	11883	11052	7685	31740	33418	34574	37877	46377	39744	27409	31535	41258	42777	31163	20432	36964	41738	28619	28034	51345	45953	33130	36390	20390	30152	87059	74300	36776	33679	53251	61938	39528	36643	30949	21573	13353	20906	24601	27736	33462	28421	23441	27822	18558	15802	34517	34284	29336	31761	33662	46804	33370	36910	32137	26193	36815	32814	31639	21186	11710	16782	20964	20941	25124	12063	46151	39883	15312	9589	26298	28339	40273	33822	33685	32344	40580	35184	40820	30620	37332	35034	41912	41683	40479	40872	18580	28586	41228	33025	27805	1	30106	32556	38870	41068	39756	36512	41824	45622	37148	38254	41835	42788	32012	36919	37933	44964	33552	36650	40679	41322	39616	39662	42661	41402	39660	37317	35490	40126	33894	30116	36174	31663	41745	40971	32012	39926	36957	36570	38382	35563	34449	34714	40636	41332	39862	39769	27926	21994	1	1	21489	1	20436	1	22774	20543	37062	39534	24934	25239	1	28802	17783	1	22762	1	31725	29255	1	1	1	17423	46059	35869	1	1	19685	22603	1	1	39586	24337	82002	37888	28938	27950	40718	28714	66424	77914	17708	17433
70.0031@6.290808	47936	19728	47868	1	46702	21535	1	1	1	30633	65558	1	22822	59002	52089	1	1	43353	1	1	1	21008	1	1	1	32824	52748	14634	55541	1	1	55478	1	20443	27180	21996	57757	58814	60890	24695	13557	1	24904	23049	38373	1	56025	58134	63088	17703	1	28459	1	67922	65288	66475	64488	1	12252	1	17411	40735	1	1	1	1	17245	1	1	15483	12791	41815	52154	22779	1	47201	47881	49470	1	58776	16625	21713	11451	1	18291	57207	59433	1	16053	46292	60922	10344	1	73856	55736	1	16145	42687	1	17422	19903	15606	15077	16355	47567	58849	1	1	1	23455	24026	1	1	45952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
817.6683@0.87000024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6783	12354	9315	1	7061	1	1	1	7729	9766	8415	1	1	6951	1	1	1	6944	8730	12919	13364	11475	12007	1	1	7720	11405	11148	12025	8550	10377	1	1	10071	10691	10101	11072	1	6944	8757	8135	1	1	1	1	1	1	1	8088	1	1	6450	6878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8530003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13883	9894	12913	15234	15228	14528	17535	12168	9582	1	7667	10373	13807	1	6882	1	7533	6925	7445	1	8446	8997	12456	12008	13573	6016	7347	11214	1	9375	11010	10928	9238	7312	1	12289	12057	9666	9340	7859	9185	12982	9383	1	9650	7286	13461	5951	1	10094	8129	11417	1	11136	12055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84400046 :72	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18083	12399	7028	17014	18485	16433	8791	9297	1	11305	12375	13586	20766	17422	7887	15494	8834	1	8361	7910	7453	6958	15512	19976	1	20097	9114	1	18440	22950	23742	23379	28955	30379	16197	24175	24847	29933	18928	27845	9876	9949	19886	26498	17136	15282	14125	15527	6775	6451	17187	14526	10516	13853	17749	19771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
824.3369@0.83992946	17654	16296	11969	14151	14394	17033	12434	18916	15060	17970	16083	18350	20420	18459	12266	17332	17826	13112	20102	18993	22226	15986	13893	13616	14999	20976	13975	18121	15775	13501	17537	16717	18638	18260	16760	16667	16928	18276	18314	19773	20027	16524	14022	17641	18955	18112	17699	19578	12063	16959	19512	19071	19775	21008	16658	16556	19823	22148	13126	14191	13797	15600	12489	13145	11743	13374	12055	16428	16836	19524	9589	7021	23876	23075	26553	22934	16603	6548	1	1	8914	6839	8668	11352	16689	18579	7951	5874	12935	9081	11206	9247	18938	19611	16462	13748	22992	20410	24206	22969	22613	21276	20893	20186	20310	25452	25665	20470	24478	26724	24900	20383	31141	25806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.87900037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15325	19154	9594	16393	13201	15414	11642	10588	12174	14648	9556	1	1	14301	7824	8980	12288	13241	14546	16815	7852	11379	8319	11745	19174	14190	9092	10929	11374	1	8016	8143	15984	17825	6790	8593	1	11972	10068	17543	13286	12995	11466	15039	15865	17175	16936	15283	14721	12726	9469	15773	12948	14568	14422	19883	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Hydroxydodecanedioic acid nullnullnull 6.927001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21444	25780	1	1	22524	19131	1	1	1	1	1	1	37661	36694	18809	1	29089	23615	49387	42264	47564	40604	42506	51455	29425	16318	1	1	18563	14717	1	23037	20247	42642	22001	27425	33587	28909	44978	43787	30842	37154	39186	30785	44377	45086	28092	13853	46057	71833	40925	35599	782698	64128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	63951	128710	119789	100353	53711	122644	51264	80865	43151	114114	122663	53019	108608	74348	60965	37639	47417	33557	28700	78104	63654	44214	75502	65372	49916	40702	34873	79488	55531	28721	30801	30880	57027	22551	32528	31164	38831	60417	39716	39298	45105	33600	23641	61431	37119	41881	59833	37389	49306	58069	16519	42028	40224	33657	78235	64957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86600006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9759	9615	8648	6980	10277	10573	9968	6006	12495	9067	11881	9045	11210	8279	1	1	14819	8841	7956	13578	11368	10402	8473	1	9338	8522	6997	8855	8798	6165	8412	6845	8832	7560	1	6392	10293	8786	8438	7178	1	8735	7854	9146	7545	1	7990	1	9787	10307	6271	8366	8091	7751	10164	9167	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.1301@9.907503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7602	17559	17291	10373	8384	1	1	10261	8479	11859	10493	1	1	1	1	1	1	1	1	1	1	7504	7166	10385	11473	8250	1	1	1	8634	7967	1	1	1	1	1	1	1	1	1	1	9763	1	8212	10240	9238	10101	1	1	20992	18497	11010	10253	11518	11712	1	1	10263	16974	10204	18071	1	1	11706	10879	9464	10163	9143	12007	1	8757	7545	12662	1	1	8467	9295	8359	1	10302	8943	1	1	11319	11690	16690	6267	1	1	1	1	1	1	1	1	1	1	1	15475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9575	7362
> limit nullnullnull 12.388999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	364045	80766	94356	121335	104283	131927	126263	107152	121685	71114	125830	66501	74406	118964	59575	59455	54343	66050	122358	58801	27779	49124	1	1	40968	53074	69360	26129	32669	39216	24811	55701	47000	33137	58251	59919	62579	128685	39337	51023	68390	39543	34725	44310	54705	85233	1	47028	56124	49592	38210	50710	59089	24824	43155	34542	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
177.0172@0.9080006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12261	16301	11631	12994	23905	23329	9400	8423	14714	11829	12216	16843	25272	29546	11225	11014	6833	6288	8204	6973	17330	19653	25658	29865	13134	7232	7717	8201	25986	20249	18587	18378	20988	23204	13657	18072	29891	21095	24108	28594	14386	7675	27232	23135	16754	26491	35707	20811	8323	7949	30557	7836	6329	7258	10626	37889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
966.806@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12090	12542	12422	14912	12208	11284	15674	17684	16322	15841	17328	19435	1	8956	18513	19697	28004	28399	13962	9689	1	1	1	1	1	1	13509	13921	11421	8720	17703	12094	11621	15802	7668	8433	14017	11552	14356	14362	27595	27483	13797	15130	18102	16440	20050	19085	24853	27938	15508	18118	25423	20150	29624	21747	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid nullnullnull 2.4264219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40910	1	1	1	51282	92717	74085	70024	124046	129586	1	32228	280171	421115	263159	294899	83280	79775	28776	78792	295237	292034	134252	193988	56302	80925	265130	156499	100615	74879	99937	104354	38069	43766	66863	52430	106734	66087	92002	89949	34381	39254	40421	41642	1	49133	89320	26753	20617	23101	1	48015	81280	60367	48450	54624	53116	42169	77385	47811	69469	51883	1	60409	79374	114546	18137	59997	108581	92151	11952	1	34198	46116	65667	68246	41251	21280	97779	67677	83508	71326	33130	40510	99431	111071	40316	46902	66915	66324	24570	21257	47342	61341	139061	135315	51803	47581	145718	144996	126258	78846	100725	103104	39226	35142	151491	148428	29428	30498	125632	122805	215923	208659	100229	90192	118250	112677	213025	226397	36932	31906	186164	172364	26306	34799	117271	112417	50149	50269	103757	110432	193714	208860	127505	139258
<none> nullnullnull 1.25 :73	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32127	22044	270607	274911	551347	70459	181489	174571	274619	269020	232729	228384	124703	1053848	149721	147261	194033	194163	144668	139167	210995	204473	575732	507073	483781	467708	166314	162393	784762	858957	573881	591782	708319	735703	202455	212809	763391	758409	594902	588131	18898	230538	555059	549710	251491	274891	385205	354730	170065	167347	276206	279912	237542	15651	1	434754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
892.8118@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5974	15309	12114	13880	11647	8707	13482	11079	16876	15606	11101	9260	19486	16252	23576	18528	23470	20943	15117	1	1	1	11228	11166	9318	12851	8167	12665	20134	17252	12788	12760	14850	16924	11765	11202	12870	15229	6756	14086	23961	23173	14831	17506	19401	17799	22618	18504	18052	19264	21715	22850	21612	23649	31354	24540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1096.476@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11142	9909	12719	13531	13622	9186	9743	11648	13160	13387	11807	11020	14049	14990	10260	10374	14403	14510	10459	15491	10579	11166	14887	14201	14419	11631	9902	9739	16051	11346	14108	12597	14999	11843	6525	1	10492	10886	10737	11760	14727	12847	13385	13632	15125	13426	13636	15441	16818	13862	11815	16162	13810	12484	18187	13704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9331@1.1055746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12812	27588	1	12357	1	1	13548	1	1	1	1	1	1	73233	28006	61635	25979	22067	23069	18525	1	1	25334	8958	1	19264	14774	19027	1	33801	32027	28023	18531	1	22692	20777	25426	17877	21331	24794	1	31563	1	23043	23267	22137	28067	1	1	1	29273	1	20618	1	1	22767	23454	40505	26395	20362	1	1	1	1	38760	38754	1	42462	27626	1	44060	37858	1	1	1	1	1	20716	36409	39880	1	1	35025	1	1	1	37171	35606	1	1	1	34274	1	36320	1	1	1	1	1	18303	1	1	33139	32865	1	1	1	1	1	1	1	1	55644	54129	1	1	1	1	1	1	1	69264	75702	1	56994	1	1	1	27857	1	38011	1	1	1	1	1	1	1	1	46842	41588	1	61741	15523	1	1	57352	1	25669	1	1
> limit nullnullnull 0.8660001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17730	20602	12809	15332	12957	12071	14543	17572	18406	13924	15843	13528	16945	21165	8544	7338	10532	19717	20256	19903	17701	14865	13423	15571	14325	11897	15605	9544	15814	13388	12814	13702	17226	14181	1	1	11506	13626	8817	10437	14204	18855	17087	12070	10737	14975	15142	15822	13489	14233	12012	13207	15725	13497	17613	18588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0281@1.406	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80150	76114	1	17764	1	1	1	1	1	1	1	1	1	1	1	1	20076	29191	1	129416	58154	1	1	1	204619	203801	76105	1	1	1	1	1	106188	209064	93678	201001	28726	27312	1	72444	1	1	1	16973	14369	1	17656	1	26279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
829.6592@0.86304337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7691	8395	1	7294	7238	11722	10044	6405	1	9824	1	9553	12518	9988	1	1	1	1	6609	9329	1	10510	14061	10288	11393	11340	1	8381	1	12994	9234	13643	7712	11855	1	1	7147	8490	10948	9216	6458	1	1	10264	7294	1	6821	8785	1	10905	1	6911	9757	1	1	1	8259	1	1	8097	1	10030	10254	11500	1	1	11388	1	10032	1	8410	1	7157	10196	7641	1	9074	8492	9088	9999	9753	1	8967	10456	1	8809	10186	12634	7912	1	1	1	10941	10925	1	1	6495	7165	1	1	8551	9526	9069	9634	6369	1	1	1	1	1	1	1	1	1	1	1	1	1	8350	6648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.87205374	20846	21217	20024	19332	34289	31737	18195	16275	19425	20530	34927	33379	27792	26411	23975	22598	19244	20411	22961	22655	36484	35824	14562	15584	27911	29245	26755	26754	17511	17567	87442	89001	87103	87711	92591	96675	93117	95440	87139	86739	80914	82536	97105	97037	80804	88782	84265	85894	97993	98521	56147	56700	79036	78605	109249	119068	73865	73973	19989	21586	24660	24855	11776	11117	33453	32668	33960	34939	43145	39712	11909	12745	23161	21038	44018	38777	26721	24577	18297	18718	9940	10036	11668	12041	34647	35076	11290	8765	10652	10842	11849	11336	13346	11682	11340	10941	12024	12232	33269	36129	14612	12531	21654	22040	22472	22331	54660	53920	23654	22455	26061	24122	21014	21272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8177	11653	6472	1	1	1	1	8960	5802	8631	9269	11794	13375	11172	9444	9179	8816	8710	10765	1	1	1	9620	9992	1	9814	9900	11630	20159	18058	15381	14470	16674	15920	7442	6557	21433	16618	14469	12738	10275	7081	11986	12042	8885	10276	1	8398	17645	10817	8299	10536	14540	13823	14002	10451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.053@1.1639997:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8875	1	1	1	18756	1	1	1	1	1	1	1	14737	15936	1	1	1	1	1	1	11875	11507	12297	14353	12566	13798	1	1	1	30155	19552	23047	16530	17040	1	1	16140	21340	14218	17858	9918	1	14634	18450	8965	8032	1	9568	1	1	1	1	1	1	1	8975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
483.9308@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43208	45584	43563	43992	54138	52563	35242	38698	41009	38327	33310	33070	45188	39817	69334	60417	51982	52736	40530	18594	21543	22369	30632	34446	37132	44830	33484	32432	36479	44943	46528	48879	49788	51537	36395	76839	64968	71061	72691	74183	63372	63576	78560	78101	70121	70625	70045	67593	45695	48805	67804	67423	64611	64030	113859	74263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
883.5408@0.8670002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10281	7645	8963	7113	8189	12279	1	8540	7684	7006	9444	7906	10913	9951	1	1	6580	1	9714	9426	11199	12037	9281	11771	8540	8133	9171	7290	7249	11916	7427	6777	8046	8661	1	1	7794	7547	7022	9608	1	1	7239	6784	7621	5683	1	1	6925	1	1	1	8428	6331	6345	7555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
830.9118@0.8859998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17186	18082	1	1	1	1	1	1	18140	15586	1	1	1	1	1	1	1	1	12432	13711	15271	15504	1	1	18612	18757	19186	21252	23612	24837	11712	13927	23746	24163	27018	25175	1	1	24964	22800	11489	11539	12055	11963	1	1	12896	11072	11353	1	16953	13299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
781.6655@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26720	23025	25255	23065	21994	25475	20827	27457	27505	24832	20508	24345	19543	19712	12564	11716	23344	24897	23946	27793	23225	22202	23784	14445	19661	20188	19604	23235	24291	20074	11064	15072	10576	19243	10172	1	14791	24148	20690	15756	22481	23277	17487	19127	20519	23270	20621	24220	22552	27262	16608	19062	25433	21530	19373	23847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1058.5457@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9971	10284	9942	10533	8328	8761	8067	12765	10184	1	8513	8814	12963	1	1	12268	9177	13217	9500	12237	8200	7961	5818	8049	9358	1	8557	6887	14963	7941	10333	8022	6736	1	1	8661	8632	9121	9983	11922	10910	8310	7229	7072	8810	6337	6915	9817	9583	10089	1	7241	9772	8087	7263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.0954@1.2439997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7262	1	1	1	1	1	1	1	10939	12346	1	1	1	1	1	1	1	1	7291	6397	8330	9688	1	1	12744	10204	9122	9807	9287	8982	1	1	9230	8780	11909	12108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11663	11766	8950	10845	16490	12988	10541	9864	11618	15837	8652	1	22065	15313	1	1	1	1	12412	12329	10935	13333	9516	9111	14186	12676	7133	8505	16962	14712	10906	14110	11245	12510	9137	7423	14509	15196	14061	20099	14168	8146	16527	13757	16539	10816	13651	10609	8015	1	9641	1	13352	9586	15403	17462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.9154@14.030199	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18741	17725	10785	9523	18445	11997	8183	8072	8018	8087	8834	1	9170	1	30102	6573	1	1	1	1	8625	1	1	1	1	10004	1	1	1	47672	10148	30348	10709	16882	10286	25668	22144	13776	37501	24194	18947	18190	10801	54620	12818	1	1	60550	10297	1	13909	1	8998	7459	17783	1	7064	16843	12780	8060	17158	7361	52457	12254	1	9995	13934	1	33231	1	1	37100	33483	1	1	1	1	1	10202	1	1	1	1	93276	1	1	1	1	1	1	1	1	67609	1	34667	15378	37221	63253	1	23937	1	1	1	72305	1	1	1	1	1	1	45205	1	1	1	1	1	1	40293	50258	27674	1	1	1	1	1	12091	1	1	1	15495	7238	1	22567	8660	1	7934	1	1	1	16888	1	1	1	1	1	1	1	1	1	1	1	1
Larixinic Acid nullnullnull 1.2541956	115665	95645	78203	90925	98200	101370	67848	67040	111504	94135	53178	54882	58733	109150	95938	92531	87025	79758	115598	108908	93599	96906	142614	139513	106694	120329	130337	136059	119412	137141	66845	61105	55544	60236	29399	34750	63805	64338	24643	76490	74766	65478	58949	61276	71684	72948	28100	72590	62294	60912	1	1	94660	93292	51271	60310	66741	105189	51109	57206	83178	74229	202640	191823	47653	49615	46974	45635	67100	47436	123795	112794	43342	36496	59361	66245	47726	32584	54664	65086	142517	133709	116709	109575	65671	50343	174276	163238	148726	152311	113236	118742	71044	61650	157618	166085	139361	116714	54184	41924	178165	195861	77610	92849	86176	77657	53583	57734	65186	56060	74069	70700	148847	104077	71271	113717	60522	43414	65930	43155	50465	40462	38664	41571	38044	58113	31115	38862	31061	32612	35411	32615	59902	37730	41483	40530	28296	41854	31193	56060	34820	31574	27138	31702	48777	43799	41353	56090	35891	36204	17396	57505	61164	32462	34452	37176	44105	44556	25691	29884	39923	25773	31287	31918	1	1	1	1	1	1	1	1	18868	22659	1	1	19425	19279	1	1	1	1	1	1	25447	19185	13628	20515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6655	6659	1	1	7777	1	7554	10183	7731	9088	1	1	9200	11292	12250	11746	5996	1	1	1	1	1	1	1	10196	10347	1	1	1	1	1	1	1	7777	1	6632	7790	7666	12762	12857	7693	5604	10496	8807	9022	10086	13820	14987	9817	10655	8727	9503	15391	9696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
698.5659@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7559	7336	9844	9051	11970	15070	1	7680	8492	8303	1	6926	11947	9404	7368	1	9976	1	7025	6954	7222	10251	11926	11200	14503	14720	1	1	8988	8732	8966	12308	9851	11366	8502	10056	11624	9175	8598	13382	1	7658	13982	15190	9297	8399	9766	9598	1	6066	10895	9678	7144	10162	9270	9279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
956.9789@2.5835304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143169	1	1	34682	26157	64914	11196	1	1	1	1	1	86502	1	1	1	26626	1	33425	66892	21322	34433	85464	30166	149751	1	17376	87268	44168	1	36543	23369	28756	1	39572	11247	31704	39053	31517	1	33265	189588	29984	18241	18926	1	21282	1	1	1	353237	44806	41795	1	1	1	53157	1	1	28592	1	1	1	28416	1	1	27174	1	1	17212	1	16922	20200	1	1	26123	33837	1	1	31772	1	28444	1	1	8373	35697	27062	1	1	1	1	1	1	38037	1	1	29673	1	1	1	1	33360	1	1	23420	1	1	25349	12698	1	1	1	1	1	32714	1	1	21484	16689	1	1	1	16132	1	1	28875	1	1	16842	1	1	84383	81495	1	1	1	1	24087	1	1	1	1	11539	1	1	1	1	1	1	1	1
321.8956@0.83220476	37978	35685	37130	36838	30006	32819	38001	39562	39718	39051	34069	32433	34123	33229	28345	30091	39568	38146	35903	34880	28830	30034	35142	34884	34167	36122	32111	32670	38030	37451	14733	7579	7932	15994	8348	7861	5852	7190	7315	19762	6794	8553	6333	22340	6671	15165	15981	7629	7421	6906	10359	9931	4959	25698	6728	9970	6597	7594	9433	8110	1	1	7556	1	7050	9818	9534	7779	1	1	9382	9961	1	1	6781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12344	7544	13640	12843	10195	10345	10327	10827	13486	8595	8385	9717	9702	10449	11298	10192	7718	7933	9355	8054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1099.5767@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10722	8384	7352	10404	11889	9326	10676	9278	9421	12585	1	8939	10817	9808	1	1	11131	8543	12911	11168	9651	9978	10299	8941	9943	10454	1	7118	11719	12235	9285	9316	11568	9747	1	1	1	8601	9291	10989	8843	9658	5870	9143	9053	1	10963	13541	8420	8279	8540	7909	7949	10594	13155	11893	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
642.6005@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7882	1	11964	12146	14389	11264	6728	1	10500	9500	1	8784	9087	9628	1	1	7423	1	5546	1	7432	10632	13119	12749	13059	12625	8416	6722	5662	6989	10814	7637	10734	12229	8899	8602	9334	10267	12146	16057	6804	9870	11529	14431	7784	9600	9774	10332	1	1	9585	9570	8398	8888	10459	11097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
268.0818@3.0322096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25574	21118	56867	59685	98335	65728	1	1	117055	108361	77434	78397	59616	77001	659795	1	1	51634	71355	110193	21460	17107	47738	54649	16905	24161	13857	17390	1	1	1	46354	48440	37255	1	19304	1	13713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8671	18898	1	1	1	1	1	1	1	1	1	13182	1	1	1	1	1	1	1	1	17700	14814	1	1	11132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16663	1	1	1	1	18533	1	11848	1
C9 H15 N2 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15262	12356	9133	9390	13875	9699	12602	12343	13456	11931	10131	9343	9904	11934	1	1	15729	15064	21549	19965	1	8525	1	1	13981	12734	9784	9368	15690	10726	12768	11355	7843	8869	1	1	9460	10871	18745	18906	11910	10604	20075	21048	8604	10069	9470	11006	13180	14212	8876	1	12574	13049	17427	15163	54080	55157	27311	27157	52736	46975	31006	30112	27518	27411	48301	41173	33365	35394	27504	29333	57066	55662	31130	29574	90873	87511	62412	65437	30405	30131	24811	24823	19341	21051	41539	42193	25844	28032	24621	24283	21787	23032	35322	36759	45696	47016	28677	29161	52747	50495	27524	29262	42362	40840	14756	13942	1	1	10829	10628	12213	14691	24636	24867	8112	9125	12928	13871	11449	13275	9299	8913	8571	9935	23191	21387	34915	34305	8199	7931	23384	24371	31430	28693	12888	13579	22938	21601	19201	15837	19580	23150	12317	11653	22868	26952	26339	24904	25566	23294
801.8338@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70613	76186	66891	64336	17037	45798	67981	75070	66114	68836	70577	70479	23462	31891	77603	78243	86688	98809	76082	37167	33850	25584	23729	30716	44192	39081	55907	53089	21832	27622	31445	23138	30109	23401	35382	42480	30303	28214	38965	45379	84079	92891	43903	42476	77958	78083	66898	79742	83071	86288	75063	72608	76007	81108	81187	82931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
245.9052@0.8578391	203586	204092	208195	198417	218862	212358	189330	200763	229228	223988	219986	219871	214613	214455	164990	158977	222913	211088	201509	206744	198780	196467	168602	156639	213049	224770	196198	197862	172283	176524	250114	249014	280466	268623	255726	260055	262466	260075	208948	200736	258954	254610	211960	225800	193091	192190	209012	217099	251340	258794	145140	138033	207189	205066	298956	296474	264939	270329	149784	150631	131646	126432	101967	104889	153252	154736	148828	149865	142835	148047	97726	99787	104172	99166	134765	134347	135344	159024	155937	155105	102082	91374	114439	105699	130771	124840	62447	62270	72811	72037	74456	77722	69526	61011	82951	80491	93950	92959	124634	119613	97688	94924	123924	120537	118351	112711	134317	134786	120074	118415	121027	125809	121117	126093	122625	123974	121204	129635	92849	90460	124548	123254	126396	128547	134300	129623	126989	125776	130283	128733	128305	135582	135430	133633	132507	135135	129890	137453	130418	130672	128447	126060	132550	134909	135069	135001	121553	126732	134503	133672	125305	129652	128265	129785	91226	97126	136641	139109	93252	98027	139661	135790	138038	132549	67087	63540	66615	72722	64424	63837	78807	85218	71354	71003	73393	69997	91519	92516	76074	75648	58578	63071	74450	75309	58081	55692	68943	60244	68453	69843	60131	56254	67614	70225	76187	72271	65951	64334	74707	73531	56459	54961	90377	89761	68043	62034	49605	50794	72337	66173
C27 H13 N8 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	117223	79709	107568	116756	105806	105663	66115	72210	132988	100528	65566	71717	102549	70345	47442	46851	55858	55043	39330	41131	44705	42168	1	1	26550	39858	38787	37971	41368	45668	31954	48097	44743	75041	29182	40541	23638	41018	29862	39825	40915	35196	35736	41316	74803	62571	1	51405	52122	40606	42697	53167	46777	45257	1	46777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
805.9134@0.84191066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14837	13906	1	1	14178	12439	1	1	1	1	7905	9139	14492	15039	10641	9655	8944	8166	8438	1	1	1	14499	16306	12416	8276	8921	8083	19875	19156	20360	19783	11538	14609	9854	10518	12689	13980	18081	19707	1	1	14956	17503	14379	13244	11610	12911	9864	9042	12755	15503	17438	16223	17538	14544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
856.8378@0.8392781	15940	15960	15212	15226	22943	18001	10621	17653	13635	17052	19015	20199	21276	19552	14184	17241	14982	26264	16705	12895	23186	21324	11519	12997	23644	20434	16799	23345	14403	15281	25182	26061	20872	29722	26557	23110	28294	23597	25678	28815	23280	25045	24251	26009	26844	21262	24493	24307	25528	27293	22883	24763	28921	30322	27295	30502	27156	25858	1	10247	9507	12907	9280	7824	11319	9382	11188	9271	8573	9223	1	8874	12359	13670	17521	16869	11060	1	1	1	9115	9367	1	1	9215	11744	1	9410	1	1	1	1	1	9537	9794	9846	16163	13621	17611	18383	13443	9274	12907	14541	12350	14608	21754	23143	11925	11429	16505	15517	17630	14709	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
820.61@13.535002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20333	1	1	1	1	1	14291	1	1	1	92003	43718	1	32002	40130	1	39697	1	1	1	1	14751	20176	1	1	1	1	24737	1	1	1	1	23572	1	33114	1	1	1	92614	79534	32378	1	74648	27802	1	1	1	25979	1	90368	54169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C44 H68 N8 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7942	8158	6939	10595	15028	9840	7870	9610	11083	9685	6981	7868	11757	12932	1	1	6836	9115	8372	8156	10977	11141	15127	12230	10343	12001	6827	6871	12439	13322	13991	14251	12858	15917	11294	1	9672	11478	12892	11859	8510	8659	11404	9295	9060	9949	8215	10865	6447	7080	10748	9762	6457	7093	7244	8758	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
232.9741@1.2479998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7320	7081	1	1	1	1	1	1	1	1	8070	7418	6826	5731	1	1	12501	11141	6365	7084	9745	9395	1	1	8714	9769	7682	8568	1	1	6319	6065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H3 Cl N2 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	285969	275229	190308	193409	114942	117081	307933	312866	313572	319418	251807	251770	57652	51331	242614	236581	305452	295190	269109	209715	91551	92716	7442	13239	52266	51064	160822	169262	26981	33352	33811	32310	36935	40712	84215	94418	44139	43318	62235	58363	227465	216734	75588	70149	153951	157163	154885	146779	276056	266201	121165	123046	197118	189616	164503	174281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
587.8273@0.8530682	49980	49092	49493	50190	49869	47099	47928	48215	54285	51079	46637	46057	47491	47501	43365	42081	50705	50994	46855	47339	41279	45105	44009	46744	52824	49859	46540	47840	50407	39723	26950	27113	28677	27831	25889	27394	25798	22037	27431	30249	31451	30239	24645	26777	23494	24540	28225	28573	16874	17044	17254	17563	33614	29772	17219	19357	40841	34589	36089	35504	38554	38212	28727	30636	39022	39820	41248	42618	33725	33388	24358	22399	26681	22668	33005	31948	39696	40727	38247	35397	21314	22679	26815	26592	29826	30642	24939	24580	22786	24324	26545	24319	24806	23869	27930	31829	28722	27890	34998	33239	27320	28433	33767	31109	35447	37507	31314	31455	33296	30705	35152	34112	40935	39209	25159	26995	26856	28979	30094	27136	28810	24849	24301	24274	32140	28564	31766	29218	29964	29531	28561	27553	31181	28562	28250	28928	30570	32096	29434	29123	34633	29938	29601	30171	30015	26324	25187	26497	23242	24230	26504	31103	22664	23871	29307	24614	19091	24768	32624	30458	30202	32159	28730	22562	17811	18414	16643	19627	18014	20113	18620	16119	23841	24619	19884	18842	23985	22471	20899	19011	20360	22933	16096	18103	27422	26319	28495	29223	20343	21408	26552	26570	32113	30574	16711	17332	26786	24518	18883	18882	29098	25908	20366	20559	27956	25914	27620	29216	24544	23988
782.3534@0.8389503	11577	11806	13177	12715	13054	14113	10593	11694	12808	10460	14318	14452	12265	12109	12362	12022	10761	8790	11810	11454	16024	14552	11301	10141	13847	13973	15088	14059	11029	10126	22955	23133	21142	24909	27905	27515	23904	23398	22509	23318	24472	23622	25688	25429	23715	25643	24062	25227	28721	26156	24876	27266	25206	26024	30777	29401	25001	25773	1	1	1	6547	6325	7012	7564	6850	7173	6159	9091	6436	16470	18173	14238	12766	13358	14470	7511	1	1	1	12715	11668	7718	8316	5871	9175	28159	25966	15807	15886	13980	14313	5790	1	17079	15334	10636	11428	13431	13350	6329	7206	10523	8438	11110	11013	16460	13765	9378	8537	10542	9660	12388	8095	5643	1	1	7077	1	1	1	1	1	1	6369	5923	5671	5676	1	1	5931	1	1	5949	1	5815	1	5733	6249	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1723@10.001004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22078	26786	36926	34965	1	1	1	1	1	1	60150	58455	1	1	1	1	1	1	33969	32831	88294	119982	127224	111512	18570	1	76619	77765	76249	79863	64116	69812	1	24592	105299	97232	114689	112274	17310	15610	88527	81449	35516	33661	46541	47729	1	1	38076	33459	27013	26988	21990	38979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.8596@0.8551554	1	1	18265	9654	9478	12040	18321	19505	12142	21317	13686	11925	13440	12691	13813	9440	12277	12884	16030	12520	6155	8692	19128	22003	16424	11319	16799	10938	13941	22239	12388	9071	11981	9056	6928	7882	6689	9038	8262	7823	8064	10797	9431	7776	13428	8479	11316	9972	6773	10358	1	1	10640	10085	9878	7118	12976	11301	17048	16634	16041	17833	20504	20679	16823	14915	21102	17909	16885	11030	22830	25566	9566	8548	14639	11894	16950	20729	18100	15746	17294	16454	19069	17696	14612	15074	21626	19857	17306	16721	14875	16708	10983	8995	15693	16458	11537	11128	13880	11713	14353	11712	11327	11302	12085	12622	15939	15919	12907	13920	12351	11062	16244	16214	11041	11545	14593	11375	11342	15111	13592	17084	10919	12867	15254	16345	16989	15082	15399	10074	12779	14950	13500	11007	14333	12086	16045	15416	13574	11874	16771	13179	13808	13091	15696	14464	14206	12372	11733	13147	14789	15776	10881	13544	11978	14253	12158	11742	17854	17820	15476	14142	11425	12452	7030	8766	9920	7215	6386	1	9276	5739	10652	9721	8105	8578	11456	10923	7515	9631	9654	7734	6444	8942	11116	8873	14119	11320	8634	1	10965	11441	13855	16701	7946	6842	9754	13770	8808	8357	11235	12412	9266	6802	13019	10264	13034	13834	9468	8912
742.3548@0.838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6116	6701	1	10095	8215	6996	5866	7038	1	1	6340	1	1	6723	1	1	5907	6215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1035.5847@0.8640682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11326	13208	1	1	1	13490	12420	9725	10974	12509	1	1	14918	13836	1	1	11703	14316	10763	12130	9121	11247	1	10105	10914	11163	10050	1	14386	12226	13578	8201	11983	12209	1	1	9294	12433	9882	15619	10577	10874	9471	10782	9450	12274	13049	12281	15137	12837	8728	1	10904	14289	16090	12853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Gemfibrozil, metabolite II	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16352	17004	26773	25352	22466	18302	20433	17097	17473	14993	19922	20903	16487	17160	1	7634	10155	6391	8317	1	13569	11747	33411	16986	13132	11066	10411	9613	11675	9251	12346	12666	10796	8979	15144	18258	25756	22562	22179	19281	38838	31267	19913	18131	20629	20083	29457	20884	18751	19325	28511	26536	21414	20001	1516126	32929	30211	30688	29451	28601	30057	28837	31210	34051	29234	32057	20161	38201	30643	27433	28478	27262	29415	26859	27147	28301	31963	29568	40313	44003	28205	29511	34573	37547	29245	29667	41806	43716	43899	43368	47268	45931	39259	42524	44007	44242	25419	29440	29816	31666	27672	28293	33864	30469	37544	36334	51659	46496	50799	51639	48322	46548	44331	47653	50060	49592	44896	55918	51818	56213	58834	59503	60887	65618	60524	64146	57240	56881	49630	53836	55925	56226	58847	56926	51655	54930	58511	58102	55966	53814	60731	61713	56054	63184	60050	62145	58468	61498	58293	52744	62005	61655
4-hydroxy-valeric acid nullnullnull 3.3685846	48728	72057	78183	42897	23296	32340	38242	23672	61998	28409	41348	39038	75986	39120	65825	24151	63928	50677	27677	69617	67928	44320	68436	63835	79250	26955	41513	40776	56165	80806	55058	71041	31639	88683	31165	40967	26555	28974	67534	42441	50282	56329	87722	81678	51119	44589	84229	84624	81818	119460	97712	46511	50929	96681	110561	96446	76221	53648	28253	23813	39759	38517	38313	35755	18619	38745	19154	43271	47141	39674	16667	29078	19315	42829	53000	36744	35683	36179	29439	60653	55633	42776	54499	37176	25158	29940	61299	56386	22855	28105	20601	19755	70664	28740	52417	33371	28443	58185	20933	18978	63602	44429	33439	53434	36729	41681	73244	34882	48927	41934	22321	20753	44456	46562	17595	32903	64389	41496	30265	55800	33177	22086	56490	18354	18051	24039	56949	25774	18900	89938	34620	22571	32185	54603	21138	17595	54801	49826	36678	51732	27924	70611	61624	36223	15912	39533	61167	44743	33276	36865	35849	54068	55952	39625	41166	21207	32426	63129	78547	48236	53746	17825	16507	54637	54005	51466	25049	25870	19234	22560	50161	65368	27705	26915	26811	23579	21596	31930	49564	62913	35079	72910	14740	72000	29552	22755	39906	51788	42830	22544	66904	75319	29912	26616	41730	18582	41542	28135	91300	78991	69865	64814	29778	24865	46543	66333	34416	78388	76425	22418
> limit nullnullnull 0.8650002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7591	10895	12245	8057	8797	6117	11547	9282	11247	8227	1	9844	14047	11951	1	1	9145	9355	9361	11149	11572	7101	11282	9351	8634	10417	7307	6726	10375	14158	7759	12033	10789	1	1	1	7606	11984	10535	10811	8811	12154	9710	6785	5718	8331	6239	7470	6758	10258	1	1	1	10001	6728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.9227@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118176	99546	107422	108603	126482	102137	112043	94153	116148	107688	94753	79487	96325	114176	95668	76585	108526	112338	100373	83902	59355	86045	68606	87379	99188	117952	72384	87670	88359	82033	85869	109150	113996	112880	97247	94281	128524	115282	140183	131921	115585	94080	122572	142067	134284	117125	132325	117340	101880	87786	106377	113613	124732	102793	147967	137290	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H15 N10 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11535	10177	12115	10599	23920	23595	10422	9568	9266	9715	1	1	25564	26654	1	1	7573	1	10590	9757	14193	13731	19903	22531	22154	19391	1	6585	24076	23775	21326	20472	22914	21685	6985	9786	27696	28044	23644	23655	7563	9312	21794	22672	13358	14271	14336	14935	1	1	12188	11821	14881	12229	20382	15623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C22 H21 N O17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81923	139360	162332	90938	74406	42750	141968	74764	61591	49330	62069	71145	76599	43675	32321	29997	42525	46026	44574	37358	26390	26494	1	1	41195	10524	27241	25525	30868	24176	1	48728	28841	11615	45167	23082	15164	29069	39861	24689	14550	23891	36018	17548	21963	19310	37348	69084	20940	14348	24631	30850	16787	29591	1	30719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.6491@0.862488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14318	10002	7811	8132	8122	11291	16079	14212	16123	16072	9038	1	11716	14142	1	6908	11314	14777	13220	11483	9253	14044	10477	12324	15370	11128	11221	11992	14586	8714	9688	13186	11221	11666	1	1	1	9942	9607	7971	8518	8483	7588	13855	1	7973	12290	10919	15962	16116	6637	10657	13219	8863	12909	9123	1	1	6831	5958	1	1	1	8534	1	7781	1	7373	1	6478	1	5573	7564	1	6185	5845	1	1	1	5945	1	6728	7186	1	6402	7350	1	8879	8312	7419	6760	8722	1	8512	7989	6537	1	1	1	7812	1	1	1	1	1	6617	1	1	1	1	1	1	6069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5942	5610	1	1	1	1	1	1
1282.7085@0.84296477	22110	23135	27375	21059	21646	24986	23538	23292	26468	24664	26738	25104	29414	21728	26659	29048	21600	24847	22736	22813	21042	20526	24026	21251	26525	26036	24726	27658	23321	25526	15963	19169	17358	16713	15710	12133	16152	11045	13282	19109	14335	11621	12262	12768	13344	12518	14147	13368	10297	12816	9794	10660	15018	16819	10261	15534	14653	17470	16109	12676	16272	15396	14201	12862	18025	15379	18756	14151	16336	16305	8620	13296	14712	18948	17514	18676	15288	9276	1	8605	1	8614	9702	13362	16261	13583	11025	13128	17837	15847	12545	15214	18247	19942	18066	16853	18948	20020	22753	22147	16538	18959	23582	24796	22326	24219	12835	13508	24009	24080	19497	19033	24099	22464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H43 N7 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28650	28250	12288	11475	24049	17688	1	9144	1	1	1	1	26862	21263	16693	13126	1	1	15044	13529	38776	36575	172779	71996	32748	27597	8996	1	23353	23324	30615	30019	35795	30358	17867	15434	39584	29323	47029	33948	25263	22691	47769	37966	26889	24509	56635	22924	1	1	36339	30882	22060	22124	27005	19887	1	1	1	1	14205	12783	13968	12044	1	1	1	1	1	1	15500	16536	1	1	13378	12567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12303	13124	1	1	24603	19666	1	1	12424	13562	14384	13885	1	1	34201	32690	36934	30617	13923	8106	1	1	16944	12572	79456	61614	24981	21661	27373	28852	47736	38552	19775	19669	28551	26218	14780	11512	26454	24551	27030	25000	14655	12504	26826	26268	22874	16106	27567	24937	56545	16070	1	1	28455	22603	60135	82180	21177	19841
718.0608@11.994997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45079	47166	50663	46454	47392	42017	49246	41531	47182	41354	48036	47094	55932	37524	20019	1	1	1	1	1	21128	1	29198	19965	22094	16324	1	1	1	1	1	1	1	1	1	1	20533	1	23767	1	1	1	23809	22131	1	1	22155	1	1	1	25838	19520	17455	1	32496	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8710363	27669	29977	28092	29360	42685	41573	29612	27108	29981	30919	38669	40477	33484	33094	28533	30712	33231	28230	34813	28904	44762	44702	24150	24296	34605	37378	34613	33372	27778	28544	106352	102324	101525	103594	108995	113760	110294	112251	101029	102961	93909	100476	116621	115684	100062	106173	98458	96302	121245	125491	64144	64675	88424	88587	141392	143458	83239	84512	21557	20809	25262	25024	13632	12019	38322	37268	36161	35182	47611	44324	12812	12947	24616	25609	48647	41834	34072	25861	17592	18976	13516	12292	12935	15218	39920	43137	8633	8080	10359	10501	10437	11487	13962	12107	11309	10371	13270	14743	35632	35180	14231	15897	20696	20249	23701	25542	60149	59975	23668	25521	30601	24004	21607	24336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
349.9986@0.84400046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41572	36647	11479	10439	19181	14108	1	9136	8973	1	28379	28259	24914	20112	11491	13042	10971	10936	17396	21217	21633	23073	46500	41260	31784	31652	28486	28082	50506	50073	36573	41260	24068	24731	15208	10298	23447	25304	21783	23502	1	1	19201	20358	14847	17340	16073	14190	15846	14979	21001	17356	23924	21228	18023	15182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
540.7685@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12807	12373	12220	9502	10200	12657	8969	15813	15126	12806	11335	11627	13583	14772	1	1	13622	14151	15960	20250	13837	10890	12974	11939	15398	13654	9679	9564	16387	15172	13771	9691	12493	1	5909	1	12645	12399	15152	14572	12370	12220	7395	11349	10680	10884	10566	13153	12735	14561	13233	9631	12068	14151	15546	13484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868 :74	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11666	6981	7376	8354	6665	9839	11478	8831	10645	10595	7166	6251	1	8700	1	5934	9876	8498	10469	9702	9505	7959	1	8069	8278	8919	6481	7032	1	1	5652	6161	6231	1	1	1	1	1	5877	6524	6574	6035	6851	1	5916	7465	1	1	6426	7582	8329	9908	6628	9174	8733	10781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
185.0851@0.9125054	53235	54214	79002	73554	42321	39957	90750	82343	79819	73716	40814	42040	61196	55593	50002	51100	59539	62629	60534	63429	24831	24875	91325	92031	48118	56475	45343	44351	79743	82309	6382	1	1	1	1	1	1	1	9431	7643	8531	1	1	1	1	1	8662	9093	1	1	1	1	10703	8625	1	1	8218	8560	1	1	1	1	7853	9293	1	1	1	1	1	1	6763	5658	1	1	1	1	1	1	1	1	7516	1	1	1	1	1	13448	12031	8939	6902	7505	6333	1	1	6904	7663	7022	1	1	1	6984	7458	1	1	1	1	1	1	1	1	1	1	1	1	7879	1	1	1	1	7279	1	1	1	1	6820	6296	1	1	1	6724	1	1	1	1	6995	7279	6680	1	1	1	1	1	5729	7552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6244	6282	1	1	1	1	1	1	6535	7333	1	1	1	1	8080	9070	5992	1	6822	1	6615	1	1	7188	1	1	10583	8460	8654	7990	7696	6974	10082	12809	7779	9261	7124	1	1	7603	1	1	6980	9141	1	1	9725	10477	13400	12872	7344	1
<none> nullnullnull 0.87335885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23104	28717	20169	18904	24213	23306	22405	20147	16957	18564	9115	14116	21361	21987	1	9097	16313	10963	22942	24152	20123	23514	22236	17426	24598	25840	11243	1	14673	13601	17043	14537	20976	15219	1	7344	15902	16261	15705	16544	12001	12299	16989	16789	12760	15627	15180	18297	13062	13796	10865	13007	19050	19112	16707	19806	24986	25192	28850	25068	30534	29795	36780	37350	20469	29089	28975	29438	24604	24563	22965	23374	29048	29735	25867	23760	24865	30666	32424	31758	24267	24661	34699	34686	27680	23793	35563	28368	32732	27212	28644	27306	35974	32607	23555	22686	20698	19022	20847	24843	31031	27281	29313	30344	22327	21219	9776	12128	12525	11629	10548	11457	14040	13757	17396	19276	14621	13976	11453	13919	11852	10604	20274	17443	10286	1	19273	18879	21779	19102	12788	17998	13414	16870	25834	31261	15108	15937	17029	21411	13483	13792	18465	13490	13068	13130	17146	14930	12851	15960	15103	16528
969.5047@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8972	8943	9691	10494	12050	11549	11872	10308	13098	13120	8958	13154	6404	1	5615	1	9375	10069	9580	14750	13946	13227	8084	7064	8781	9056	9628	12025	9902	8176	1	1	7905	1	1	1	9961	1	8310	8006	11284	12535	7582	8024	8224	8817	7565	6798	14125	9642	7856	9711	12431	9450	10296	7992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
481.9865@0.8909999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9864	10223	1	1	1	1	1	1	21803	19619	1	1	1	1	1	1	1	1	9259	11104	1	1	1	1	20263	19125	10505	11816	17296	15936	1	1	14702	16504	8414	9278	1	1	11704	7941	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
262.0748@0.84349525	9415	1	1	1	6094	9506	19485	18336	1	1	10414	5401	1	1	1	12190	1	1	1	1	11356	11594	19158	6531	5978	1	1	1	6413	5856	149361	152376	144870	144796	135323	126776	107603	106284	88894	86579	131663	136633	100579	97917	110300	100690	104331	99514	107482	108465	70020	77509	79373	63924	57512	57119	130655	126894	8227	9378	10275	10485	11469	11848	7913	10211	1	1	1	1	13217	12364	1	1	11520	13120	10347	1	1	1	15053	15708	10561	9027	1	1	15522	18597	12315	15471	14489	11644	1	1	16940	17090	10717	15957	12174	13358	10107	11435	11646	10181	10552	12803	1	1	1	1	13771	14147	11843	12880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
666.6086@0.8674317	25807	28645	29868	28897	29116	30451	30533	35695	30729	33859	30175	27138	35812	32306	31776	27073	30644	31206	32198	32189	25277	23445	30634	33052	26128	30496	27986	31269	33314	30512	21654	19251	23185	25701	19286	19204	19680	17551	23541	23249	24879	24543	20431	17478	20202	17320	18541	18398	14207	17884	13096	10258	22655	22793	18373	17385	30086	31630	19734	17314	22893	21010	14976	16008	25922	24389	23959	23931	22673	21282	10682	10883	14140	14366	25498	22338	23669	26247	22084	23070	17002	6623	19286	15326	20675	24798	14565	10648	8437	11490	12124	9385	13109	11432	9558	9419	14432	15226	24262	23940	17143	13746	18795	17199	22220	22944	20391	22825	20862	19977	23764	23405	28460	21455	17369	15902	17674	21915	18020	16842	21027	22305	16562	12787	23624	21834	21767	20243	21763	22138	18500	18885	22436	23828	20025	20060	24307	25826	20386	23601	21042	28090	21574	20864	17216	20274	18346	19527	17134	17486	22320	21481	15158	17169	16970	16881	11714	14907	21499	18169	22517	23125	16027	17505	10477	1	7930	8677	6988	10280	11372	1	14289	11909	10156	7439	18924	17283	9534	7467	11861	10210	8250	9232	13985	15121	15394	14354	9188	10289	12151	14530	14907	13405	8529	7904	14160	14387	10119	9689	14562	13081	10947	11386	12656	11305	15351	14000	14815	14458
Phosphatidyl glycerol	39585	38356	38568	41134	30593	29207	38537	42353	33493	34952	31771	30834	31940	31203	45196	46153	33403	32803	28117	30706	27997	28026	48323	49511	31376	30555	46240	46108	52640	52305	8754	6936	1	12656	9369	10191	1	5904	12176	12736	9771	9096	1	1	16741	12324	12347	16544	1	1	1	1	21022	16123	1	1	18484	15658	64804	62778	60012	63417	13458	64878	71466	70826	70061	70655	13986	1	18059	63719	62836	56935	83280	79318	77713	74752	62397	69576	32731	43619	62519	1	12503	67769	47278	17175	1	15391	55958	53109	54047	63210	11155	67797	70003	94331	80140	83889	19230	68540	74992	82054	78869	89434	82007	83518	63449	61666	78394	80139	93566	91776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyrroline hydroxycarboxylic acid nullnullnull 1.2664217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90923	84053	100089	100281	221971	209440	80660	78284	80452	77670	60584	70090	304257	307448	68333	68284	90873	86263	77917	74353	113782	123767	279663	278482	263702	266010	83776	90677	498499	484188	431449	466206	304930	322911	65389	69014	364500	12528	316590	324401	95443	87704	331986	338881	14735	12601	128417	128213	91788	93467	145069	142554	96863	95308	176746	156281	29615	30442	35323	40189	35043	38669	38881	42262	27844	24727	29935	31321	42851	43327	40090	39362	39441	40281	39997	43782	54401	53751	47336	48820	42385	39718	46918	45194	39004	41888	35920	37247	37808	42737	30810	30017	34941	36035	34648	37409	51043	44251	85341	89587	60018	62903	44141	42557	40717	43561	15395	16906	18626	18405	26247	26846	20631	17392	39921	42971	18895	20035	38881	38835	14896	15814	23831	28003	19922	24048	55434	55951	62671	62034	19670	20338	46566	47717	53733	60076	17621	18462	42728	45918	17378	19957	40328	36868	24652	23320	35295	36495	64365	62848	39830	40642
C48 H82 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9103	9950	7569	7359	6855	7599	11636	10046	8043	13211	9566	11399	7098	8136	6753	1	13151	10462	11428	9961	9078	8509	6878	7307	10449	8551	10546	9815	7169	9494	10280	1	9812	11346	6152	6467	7536	11082	12905	7333	12498	9842	8692	8309	10402	9372	6944	10216	9394	11438	10950	10881	9304	10365	10235	8489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85499966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12415	11379	13518	10288	20085	12376	15782	13514	12941	15813	10807	11807	19174	22333	10772	9438	11214	11487	13621	10619	10305	11130	8872	11615	11964	10650	13626	12052	15926	19094	11560	12825	21050	17632	1	7768	17944	12115	12844	20004	12716	14718	15147	14511	17867	18060	14944	13104	7858	8380	8978	13042	10629	10097	9685	19377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
940.3071@0.84400034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11485	11513	14888	11503	10464	6858	12559	12220	12409	12256	9117	13431	1	8590	13414	12666	16068	18101	11002	1	1	6386	1	1	1	9095	14132	11728	1	8209	11585	9799	9977	7761	7291	8628	7416	10296	13847	11896	18001	21279	11564	15357	14476	15208	13054	12885	17832	19379	16905	16658	18910	18527	18206	15476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
341.9196@0.8849996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7673	8397	160787	157011	146167	145054	141381	142430	9368	7467	83239	90089	5989	7029	95055	92551	9979	9827	9845	117872	139735	140297	120743	114353	134851	143700	78770	80178	65301	66570	92510	94354	6542	103737	108407	108467	116759	111677	138551	140683	139972	7955	149975	150735	162229	163608	6019	151854	71341	72687	143774	146080	152498	149573	174587	169940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
942.6302@0.87799966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16104	21174	13796	12466	11686	15706	16243	17180	17176	19036	16400	13314	9351	12224	10686	1	19360	18743	20741	17601	16093	10819	9034	9661	15962	16600	13804	13536	8733	1	7760	11678	7642	13424	1	1	7762	8422	12423	13334	15875	17329	10660	14311	15340	15997	17265	14037	20280	24087	14147	12844	15754	17630	21978	17226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C9 H2 N2 O5 S nullnullnull 0.836736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1993036	1924619	1967592	2013648	1602594	1508455	2189734	2044523	2114843	2101821	2103110	2002522	1038801	1001558	3105862	2998710	3043138	3005727	2367592	1477091	1127585	1326712	913171	990993	1273087	1436686	2025843	2146640	1023372	1007907	1369901	1449072	1492419	1497627	2513951	2582963	1753279	1813709	2048009	2030033	3031141	3069761	2335470	2294400	2786613	2836031	2816453	2815492	3065620	3092192	2812110	2825555	2910934	2885120	3695582	3090935	2896402	71815	2976973	3040251	2928961	2951628	187442	2931719	3016353	3085278	3020550	3004001	3029975	3016490	187650	3013474	3029316	3032253	3014774	2966824	184286	2974156	3033747	3019574	2998724	3005676	3052951	3054588	3010862	3032312	3103354	3029684	3080462	3044989	3088211	2971639	2997219	2933794	3031365	2974555	2824440	2830298	167006	2996348	168410	2820232	2969725	2904406	2935256	2948499	2940111	2939859	3106331	227223	221933	2990882	3185955	3224751	174652	213887	3090628	3083646	226369	3167161	159403	3304855	3170927	3172173	3255923	217905	3141800	3203908	3000248	190680	3349462	3286368	3236419	3173863	3135640	181500	3360794	3340896	177330	3145492	3418906	3250704	3312129	3262466	3553590	3478853	3188510	235185	3248130	3285242	168915	3257328
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C6 H Cl N O S nullnullnull 0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24121	25908	51461	49148	55640	52192	15025	15276	14942	42191	32220	36566	53147	57079	25240	35339	29924	28938	38406	141405	29471	30772	42228	40015	35307	35172	41687	41016	37618	30346	35117	36229	63674	71559	39235	41983	60975	52899	64141	60816	36137	37603	47222	48687	42311	42459	54308	53620	51252	34904	35937	34663	24529	13990	64625	51779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.9554@0.87999964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9100	10363	8240	9245	21403	20377	1	1	1	1	1	1	25588	30314	1	1	1	1	1	1	6653	6922	17907	23387	19467	22223	1	1	44587	43297	36983	36443	37378	41906	14938	16750	46608	44945	39474	38807	1	1	28133	27826	10568	10190	10434	11297	1	1	11193	10751	9277	8501	14804	14203	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.0699@6.2350273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8964	1	10844	11281	10228	1	11011	8587	1	1	1	1	1	1	1	1	1	1	1	1	10413	12022	8496	8855	9091	9007	12132	9466	12083	10102	1	1	1	1	1	1	1	8323	1	1	13326	11582	14177	13736	1	12637	1	1	1	1	1	1	1	1	1	1	11204	9842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9518	1	1	16131	16443	1	1	18890	18679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10892	12625	8947	1	1	1	1	1	1	1	1	1	1	1	11114	10473	1	1	1	1	8439	10068	1	1	1	1	8790	9722	1	1
622.1176@13.403006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38643	18102	33881	27547	56933	49766	22510	40867	41098	39824	29386	24125	43722	34620	1	1	1	55576	17152	1	1	1	32995	1	1	39368	13363	68187	44346	1	1	1	1	36240	90423	38669	50874	1	37355	1	1	1	31914	43712	1	1	1	1	1	1	17199	23423	22598	31572	1	25983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
896.4421@0.8700004	13101	11302	13433	13869	13330	10005	9360	14835	12872	13568	12721	10962	13463	14487	9894	11970	10230	13989	14124	13057	10537	11203	11463	9255	11642	15428	8214	13923	11998	12229	7702	6774	10450	8032	1	8473	7036	7326	6669	9114	10838	8644	1	1	5832	7254	7872	1	1	1	1	1	6476	9221	1	6544	9911	9589	7956	11002	8601	10764	6285	7137	11083	11754	11017	11751	8877	11794	1	1	1	5625	10731	10268	9525	10663	10356	8140	1	1	1	1	9304	8116	6545	6300	1	1	1	1	1	1	1	1	5613	7404	10755	8706	1	5359	9662	9694	7435	11475	8024	8414	10994	7011	12137	10302	11991	8775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
951.6891@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15758	11809	19370	16003	27669	27069	12748	13282	12913	13740	10023	11905	20408	21483	8044	10498	16177	8190	17225	11774	10830	15922	18268	15966	23898	19335	12049	10166	15369	22251	18818	16521	13142	17452	7733	11271	19272	21055	17026	22149	10667	9047	17934	15704	17279	7640	16709	13631	7923	1	13823	14497	12506	12640	13117	12802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8670003 :75	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12649	10377	12223	15037	12120	12481	9221	13079	9919	13329	13536	11227	10000	10548	1	1	9711	11059	14053	11511	16192	15501	15514	10378	13889	8723	13294	9158	9996	7206	8550	9989	9722	9040	1	6880	14498	7943	10034	11284	11459	8027	10331	8050	8802	12206	10396	7578	11137	10731	9527	6804	9253	8490	11351	12377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.7821@0.8709995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26137	32218	23337	29420	22236	29069	24878	24037	24843	25964	17702	17135	25229	26509	13930	15227	23091	22315	26500	22200	16870	23791	16608	12795	22114	23229	15203	14408	28649	20296	24131	23842	21873	23142	12757	14769	20570	26457	33230	24193	20617	26279	35757	23244	24043	25248	23129	24288	15488	17671	29156	21430	26745	24782	29045	21690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1049.8452@0.8770002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8650	9128	9508	8649	15983	15372	6981	6364	1	7497	7430	1	17712	21630	1	1	10081	1	9701	1	7790	1	16706	12386	14695	14634	1	1	16271	15040	18078	19258	16223	18823	1	1	20962	21423	16931	21778	9154	1	17798	16725	13599	9326	9544	13303	9924	1	1	11668	1	1	13663	10642	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.86399966 :76	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18835	16479	17694	20306	39292	38034	16031	13780	14173	15069	13535	13552	49595	49072	11137	11398	11231	11240	14599	16353	21998	24963	46579	41903	34284	34808	14482	14166	56686	54528	45107	44825	43590	44183	25200	22688	39783	38671	32868	34146	13965	13009	31865	30151	18595	19553	15675	16484	8249	8800	18190	16942	14408	15814	19834	18872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
812.6056@0.8699999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12053	7492	12544	9028	13563	12927	12735	10265	11539	9458	9129	13981	11086	12945	6422	1	8827	8320	10788	15609	12610	13700	11033	14062	11255	10298	11065	9885	10377	10288	7790	7568	13947	8950	6705	5975	9619	11520	10576	10736	9859	11359	12829	9027	10439	8356	12688	12019	7062	8709	9577	8323	11142	10230	13294	11782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
349.0679@0.93300015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9701	9525	1	1	9409	9415	9983	8682	8678	10456	1	1	9027	8247	1	1	12167	13118	12937	10642	1	7248	1	1	1	1	1	1	1	1	1	1	10287	1	1	1	6467	7926	11133	9662	8200	8855	8104	8815	1	7365	8768	10058	12531	11818	1	1	8300	11052	12085	10801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84700006 :77	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11421	10790	11979	13444	12135	8775	16173	13327	15948	13673	14882	10285	7224	6789	12670	14100	13084	19979	12848	1	1	1	7356	8111	11375	9922	15506	11874	7116	6806	8882	8647	13352	13980	10231	14038	13778	15744	13246	14918	18394	16723	19193	15324	17615	21580	17310	17238	12810	18285	17132	12825	12084	18806	15755	17367	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H15 N4 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27605	28258	24106	23046	78946	83125	10364	9195	30010	32782	31316	27924	67000	70383	9358	11985	10715	9898	1	1	8572	10934	31274	44423	38491	37785	14175	15585	29471	29952	111559	104449	37185	39222	21341	18584	37597	40905	32799	33770	20373	19425	43563	49315	38790	40698	23706	27686	22665	22568	10398	10227	44310	44341	19585	32004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H5 Cl3 N3 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	432245	443688	411584	409963	335224	340399	442547	438659	433852	446324	429148	423661	307134	311730	353801	335949	412060	412794	398769	377163	363298	361664	258851	281648	325161	330471	378675	379968	197540	201380	255878	246680	247904	251955	201516	273930	299229	291541	327775	334937	432022	444301	369217	364282	421276	434717	423584	423088	443133	434619	426191	421860	428953	428392	441694	438671	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
109.064@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5992	6912	6945	11105	11238	1	1	1	1	8585	9466	14585	18185	1	1	1	1	1	1	8259	7187	13252	12740	11916	10331	8996	8026	13060	13991	10297	12741	12924	12515	1	6684	14160	13644	14709	12416	1	1	11199	10804	1	1	1	1	1	1	1	7653	1	6310	1	7878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
127.9945@0.89824635	7252	13061	12439	12093	9191	12931	1	8846	9272	9175	8145	11030	9402	14737	1	9761	10482	8457	9008	7595	9877	10235	15038	13833	11621	10363	16657	10605	10207	9399	1	1	1	8195	1	1	1	1	1	1	1	10033	1	1	7309	1	1	1	1	1	1	1	1	1	1	1	18566	13003	1	1	1	1	6589	6140	5974	6977	1	1	1	1	10386	10077	1	1	1	1	1	1	1	1	7948	1	1	1	1	1	11745	10530	12517	13146	7672	8872	1	1	10922	10828	6629	1	5613	1	1	8082	1	1	1	1	1	1	1	1	1	1	6948	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.843 :78	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10097	14316	11387	10817	18239	20021	1	9113	1	13439	9651	7117	24730	17792	6585	11719	13121	6505	1	1	1	1	12339	14781	15533	16095	1	7906	21988	21398	21535	20545	27868	25619	21661	19666	27370	32623	27523	27127	15248	17469	24695	25387	18284	20209	14555	19769	1	1	17376	12364	1	18015	12351	18271	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.7547@0.86499983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6679	1	1	5417	1	6503	1	1	1	1	7652	8510	1	1	1	6393	1	1	1	1	8046	7720	1	5637	1	1	7015	1	8744	7098	8703	9569	1	1	9313	7227	6565	7804	1	1	6279	6292	1	6871	1	1	1	1	1	1	1	1	1	6439	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
364.8813@0.86544114	58990	66678	66075	62056	48923	39458	67491	67929	59999	65569	48562	48720	54286	55715	61604	57178	63840	56399	53696	62655	42493	45222	62801	71579	53596	51528	51157	55701	68802	69029	11374	13527	21014	27687	15949	14725	17652	15956	16342	27339	13313	19026	11692	11995	16239	11805	14478	16409	9251	7916	9316	8721	27942	27043	8479	9958	17641	18956	8709	10745	9694	8361	1	8112	8230	8915	8333	9225	7348	8554	7541	9445	9570	7885	10820	11018	7726	8195	6956	7627	7153	7382	7948	8668	8647	8075	1	1	6299	7881	10244	9714	1	1	7547	9999	9477	8639	9746	9852	8674	8324	10544	10566	10467	9054	7475	7013	11042	11991	10464	10448	12658	9045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Gitonin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6340	6950	6858	6635	11617	14363	8186	1	1	7402	7458	6181	12238	13755	1	1	9889	8201	6582	11436	12479	11090	11595	12027	10482	13606	6604	8346	14961	12321	12501	10254	11193	11500	1	1	14964	7600	9022	11905	8824	8512	10440	12763	1	1	8123	8508	1	9255	7080	10530	9150	7455	13509	8350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
932.6138@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16310	14781	12923	8691	18484	16417	17687	20145	12694	13569	15993	10402	26568	31186	6935	1	10789	16879	11660	21719	13768	13536	20659	19983	20186	20913	9263	11239	31006	21249	20677	23913	19183	21495	6906	7290	19241	23922	15933	22391	10946	16721	16960	17893	14314	10505	14129	15878	14874	15724	11541	9513	14256	13286	13183	17043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
805.6046@0.86500007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9976	1	9280	10239	9265	8252	8192	6090	11447	8726	7790	6853	9898	9914	1	1	9186	7015	7530	10844	12347	10269	10544	9656	10296	11546	7020	7367	12629	14923	9846	7714	1	8420	1	1	1	1	10465	8933	1	10473	7474	8374	1	6403	9295	7358	11367	1	1	1	1	6765	9339	6721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
920.4185@0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9948	7626	11943	10440	8812	1	12974	11788	12026	13252	11750	10733	6084	1	6889	6592	12068	12475	12892	9104	10583	9258	6025	7458	7444	8612	9838	10149	1	1	5913	1	1	1	5553	1	1	1	7650	1	13508	10191	6825	8282	7140	10888	12124	12641	13178	7843	9219	13221	12362	10844	9742	10407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.0755@1.1444044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13932	17872	6569	6614	21470	22697	10248	11060	53442	55337	6846	6438	30161	28350	12907	11088	54036	55288	17153	14849	14076	13887	21945	18656	33841	31647	8013	75081	39517	49310	34055	30708	25506	28719	58807	6759	26144	27389	33765	35580	10860	10708	20437	24775	13925	11663	11623	15216	36222	35558	19596	21862	15958	16918	17165	13020	35663	33813	36705	31030	38314	39332	68174	71946	24361	25074	75773	74425	37226	35241	88145	85068	31936	31464	87165	91757	41397	39055	40926	39243	79208	79805	94005	92957	80674	79435	32447	35022	33640	32343	27875	27841	74566	77791	31023	34972	39828	40909	27082	28982	55901	59100	85431	87263	29786	33604	1	1	1	1	1	1	1	1	5790	10994	1	25108	1	1	1	1	1	1	1	1	1	5723	7818	6910	1	1	1	11758	8929	12868	1	1	10288	10782	1	1	12767	5633	1	1	7766	1	1	11649	6398	5868
803.5683@0.86599994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7528	7361	8560	7864	11822	11691	7249	9695	7958	9757	7030	7335	7966	12029	1	1	8105	6205	10256	11037	7678	7124	13036	12524	8611	13351	6827	8261	6890	8290	11159	10989	11297	12164	7356	1	7384	10860	10543	7218	1	1	8488	6763	1	1	1	8677	8421	6711	1	1	1	8499	7397	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
937.5862@0.86000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7807	9151	1	1	10754	8784	1	9241	8272	1	6250	7303	10648	15419	1	1	6560	6966	8586	6930	1	7309	10637	6513	6726	1	6376	6662	13694	12443	9733	12003	10499	11141	1	1	7393	1	6852	7754	8798	6548	7180	6690	6030	1	7124	1	8691	1	7293	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
706.7054@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9270	12617	7811	7909	8187	8479	10845	12887	12909	13739	10373	14591	6639	9474	8061	8140	13016	12876	12568	9963	9829	9334	10241	5948	6860	8694	10136	9813	1	7623	8589	6892	1	8244	1	7561	1	8850	9387	7278	13827	13365	8957	7879	10124	8661	10950	13482	16386	15500	10518	11591	9263	11253	11361	10178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PI(P-20:0/20:1(11Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17094	19238	11912	9865	14112	9235	14466	10600	14885	13875	8278	13313	15580	22405	8700	1	16024	14311	16861	19342	13721	12349	11173	11664	11778	14877	11000	9405	10859	14900	12037	10745	15810	14451	1	5867	9555	9752	13006	17910	9298	14982	14228	19694	15287	14773	18128	17840	13645	13584	14075	16816	13419	13737	16263	16246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
253.0809@1.5489999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56005	57163	1	1	1	1	55394	53418	1	1	1	1	37935	37126	1	1	29478	28078	1	1	1	9766	131260	34327	1	1	108646	45610	1	22499	1	1	1	16923	157567	158467	25904	24350	1	10870	40292	46332	22978	46965	20367	20129	1	1	67814	62739	58189	28294	74803	73437	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.833994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22287	17419	18547	22381	14113	20250	26430	21792	18285	21274	23040	19080	25221	16763	1	16158	1	15620	1	17552	15501	15705	17397	1	21216	1	16892	17358	14773	18022	1	1	1	16077	1	1	16224	1	25414	1	16675	16254	14802	16696	1	15293	18112	1	1	1	11670	18865	15550	14881	39601	15674	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
646.6398@0.87012935	13340	15172	11761	16931	12254	14262	18450	14428	16312	14683	13990	13917	14412	16932	11669	12983	15866	14811	12208	14696	10714	12288	15064	13427	15058	18381	15499	14970	17528	13951	16986	14895	13614	14032	13353	13457	12045	14146	10684	13936	16151	16025	11123	13046	12654	10030	13949	12080	10768	9830	1	1	13708	12657	10077	9629	18566	15217	8899	6144	7104	8563	6959	1	8834	9164	7724	9149	7044	6496	7080	5922	1	1	8112	10600	1	8886	1	6780	5703	6586	1	7059	8048	1	5784	6697	6229	6121	1	6489	1	1	9078	7631	7776	7885	8327	8009	7494	9317	1	6849	1	1	8891	6534	8188	7710	7621	6583	7357	9470	9585	12119	11745	8825	7092	1	13173	11303	9986	7162	13578	8299	10099	10397	13025	9539	11297	12335	10713	9439	8377	9548	12325	11059	12491	12864	10610	11524	10123	9588	10377	11784	8976	11658	10401	10181	11061	11262	9543	8680	1	7869	10284	8562	8274	7919	10703	12358	8622	10636	1	1	1	1	1	1	8498	1	1	1	1	1	7746	1	1	1	1	1	1	1	6633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9489	1	1	1	1	1	6753	1
616.8773@0.8599999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10380	1	1	1	1	1	1	1	10383	14332	1	1	1	1	1	1	1	1	12842	11323	10060	10441	1	6093	17505	17022	8923	13670	10683	16169	1	1	12034	13269	11239	1	1	1	1	1	1	1	1	1	6903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8689998 :79	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7527	8052	9218	7984	6455	9368	7867	6663	6234	1	7623	7067	9566	9021	1	1	1	1	8399	1	9472	7758	9712	8189	7042	8150	8759	6472	7193	8321	7342	9873	9402	7877	5775	1	9421	10910	9407	9234	6490	6271	6740	7538	8602	6782	8066	8645	7905	1	9240	9131	7963	1	5848	7447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
640.6016@0.86899996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11095	11107	1	1	1	1	1	1	8330	8392	1	1	1	1	1	1	6484	1	8980	10532	9076	9119	1	1	8696	6250	10357	9297	8199	8633	6457	1	9523	9010	9669	9985	1	1	10479	9053	6419	1	8802	6486	1	1	1	1	1	1	7858	8295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C40 H80 N5 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7098	6962	11104	9139	8490	6329	9762	10084	8962	11659	10315	9313	1	10874	7328	1	12265	9785	11330	8400	6320	1	8371	7329	1	1	9962	8318	8483	1	9502	7073	11359	8054	7002	1	10197	7745	10830	11101	11928	10429	8354	11562	9989	9248	12487	13592	11160	8766	11038	10538	10302	11054	12221	11484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H8 Cl2 N O4 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12757	14870	10591	13488	12115	9300	15013	1	12510	20388	17455	14372	11808	9900	9171	1	13989	12210	13780	9534	1	1	7321	6973	11726	1	11794	10123	16248	15210	13175	12076	10089	12691	7646	8070	11921	10068	11108	9119	14738	13480	16511	9990	9937	17643	14546	16581	13109	11592	11814	14662	12705	14793	9366	14215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
230.0904@1.1830001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5953	1	1	1	1	1	1	1	6100	8042	1	1	1	1	1	1	1	1	1	6630	7449	7172	6967	1	7114	6826	1	1	8795	8389	1	1	8348	8629	12698	9880	1	1	1	1	8256	1	8011	8329	1	1	1	1	1	1	1	8298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
920.6092@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12897	16359	11570	10958	15445	17846	12286	16329	9862	12700	10408	11892	20918	21893	1	1	8966	11725	16353	17226	13924	13776	17392	20303	16482	18522	9612	9110	15556	18109	17886	21458	19418	15967	7200	1	13813	15484	21016	14096	9907	11673	10184	13154	11983	9849	11805	12551	11837	12145	6902	8598	15024	9696	15604	10078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84700006 :80	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12291	16653	16161	11537	19312	18460	16556	16242	11308	13301	11211	15595	14754	14548	10056	12411	15093	13211	16023	9630	1	1	8834	11800	12968	15345	11427	11760	14849	11897	14896	16115	14523	12115	14552	10276	16354	16880	17124	16231	14208	13582	17375	17202	14291	20832	16442	15078	11832	12914	13710	14283	15831	14550	13849	14356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H6 N2 O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22941	24686	31569	18250	42994	28758	21806	23508	25143	34332	26943	28104	51288	51929	17285	24703	19179	23144	17182	16742	15524	20904	35736	15876	30606	17277	14355	15187	20381	41278	30825	9266	38844	36161	22750	35048	17147	18823	41686	39452	29942	16289	18933	13547	30932	16119	36000	37914	16539	16838	19632	20102	21410	30448	24632	22060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
788.9367@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13559	14814	13469	14959	31553	29474	9704	10020	12432	14240	19850	20988	33760	31355	15320	15765	18394	19231	12233	1	1	8863	27614	27757	22184	23690	20796	21504	33011	31927	30573	34358	29262	29364	12779	14943	31979	33100	32493	35669	12444	13844	31204	31301	20522	18899	21428	22281	26868	26668	19216	20381	22887	19073	24338	24608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
10-hydroxy-2Z-decenoic acid nullnullnull 8.035038	43164	36530	185068	102438	210380	1	177803	109759	69379	23498	1	130148	77905	142785	138809	157955	59753	116525	100989	62143	16848	82083	96578	31114	257392	182837	57048	95899	263204	62126	47304	51094	79845	26997	273269	278921	85992	89577	193794	97050	83986	42112	42101	241083	173100	54402	56272	132463	155637	135832	91973	48409	73917	66063	69866	275939	80086	25503	1	1	1	1	64321	1	1	133564	1	1	1	1	1	128957	226397	110792	1	1	145282	53209	19455	206078	1	167900	159864	133754	196787	167485	19203	51490	39932	98980	159376	1	1	87463	82322	50999	34700	154780	75841	50006	44448	53185	106781	107895	153245	127018	1	177169	97382	105084	27016	149911	1584942	44819	39129	68510	1	1	1	88851	1	138828	1	1	151170	1	1	1	1	276665	110224	1	1	50335	1	1	1	1	45186	1	1	1	243281	19841	1	137670	1	1	1	1	1	1	64061	72268	1	1	1	1	1	1	80027	1	1	1	1	1	1	1	1	1	1	1	1	169571	1	11376	1	1	121338	26485	1	1	1	1	1	1	1	1	52641	1	1	1	220480	36559	1	1	37423	1	1	1	48923	125405	1	1	1	1	1	53230	1	121124
1180.6702@0.84999985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9735	12011	8985	9795	7444	8842	8838	12059	7337	8586	9511	9211	7126	8081	6408	1	9630	8363	10293	8223	1	1	61464	21422	8827	9016	7312	8110	11474	15492	10148	12718	9143	11088	7828	6474	13659	14164	7274	7261	9228	13130	11456	13487	1	13952	9902	11631	1	10111	9093	10149	12443	9208	13360	13095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H4 N5 O19 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14944	8503	1	11299	10825	1	8993	10378	8121	10430	9846	7150	11329	11107	12353	9701	11179	16099	10003	1	1	1	13480	11787	11000	15239	12270	8103	19898	24298	21696	20606	13986	13910	8825	14073	15665	17162	18163	18805	14428	15286	16263	15482	16517	18040	15230	15172	14280	13959	17011	15497	17359	13393	22618	19387	11826	14113	12908	13287	12267	9245	14840	12910	14607	13341	14458	12983	13223	12875	13937	10538	14467	14526	10593	11952	12437	12941	15200	13157	13918	13086	12822	13559	14602	14150	14861	15266	14922	12570	14438	14793	13864	13939	14505	13960	10555	10478	14669	16641	10945	10981	12050	12955	14387	13301	14939	14166	14369	15225	13074	12846	20344	18383	11073	10679	15000	14652	16447	16903	17169	16256	13779	13635	17563	17527	11060	11677	10091	10057	15579	14347	10605	10002	11838	11387	16403	15400	10111	9235	16313	16070	10984	13005	20514	22108	12077	13467	10826	11720	11791	11888
> limit nullnullnull 0.8569998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12565	14067	11403	12376	17236	14719	10285	10139	10877	11498	10045	8020	11599	15443	6052	1	9807	1	10380	13331	11788	10798	11814	13740	10460	10846	9630	10324	18604	10823	14911	17129	10650	13421	1	7835	13271	13662	13668	15506	8816	1	16924	11872	12541	7546	11944	7418	8284	6105	1	9458	9918	12942	13153	13436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84948933	6561	5490	7893	8145	8066	8035	7630	7328	8696	6491	7932	8152	8897	8244	6372	8002	7728	5817	8489	8517	8091	8440	6932	7744	9959	10259	8190	8474	7115	8439	8301	9126	8651	8280	7707	8476	9197	9181	8198	12062	8659	7638	8470	8417	7811	7048	7472	9002	6622	7985	7665	5500	8297	9310	7512	9018	8821	8332	7407	1	6994	1	1	7356	6438	7294	1	7303	10417	8113	1	1	1	7585	7766	7919	9111	1	1	1	1	1	1	1	7193	9557	1	1	1	1	1	1	6459	9033	7925	1	12370	8442	10942	9328	10212	8773	8573	9878	10594	8135	12843	10248	8847	12541	10460	8746	10748	11928	1	7541	1	8448	1	1	7371	7428	7059	1	9489	7411	7197	7207	8552	8600	7495	1	9271	8649	1	7732	1	1	1	7887	7939	7358	7756	7992	8189	7765	1	6891	1	7334	6819	7345	1	8941	1	1	1	1	1	1	1	9439	1	6285	1	1	1	1	1	1	1	6317	7093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8498	7437	1	1	1	6832	1	6731
933.5849@0.866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10685	7560	7531	7074	13010	15856	8760	7966	13924	12369	7824	7096	13738	19312	1	1	1	12070	8333	9733	6869	12426	15010	15184	12542	11837	8322	7439	15260	14289	14679	11706	10330	15942	1	1	11600	11698	12211	10629	11466	11033	11219	13927	8468	1	9359	12536	1	10556	6468	1	9402	8950	8734	8731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H11 N O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47107	44358	49751	51635	80694	77036	43057	43153	45858	48557	43307	46644	112754	11377	29653	6668	41471	42903	40791	46810	7194	5990	7010	103256	90573	6759	6938	45285	5555	9477	7930	8578	102824	8306	33028	39025	8540	5177	107491	12377	8014	8251	6932	7277	7996	5855	6186	6519	39998	33653	6832	63725	7456	59845	6923	76838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
596.6185@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10552	9708	11830	8703	1	11328	8527	12152	12360	12401	11746	12465	8422	8709	10524	10660	18115	15920	13138	6678	6930	6747	10488	7208	9440	8077	9160	11859	12317	14216	11188	8763	11352	15231	7817	9667	12069	14668	12800	15548	11415	15271	15674	16164	13726	11534	11817	11109	12620	13578	15420	11060	10099	12878	14586	12108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :81	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14951	13840	12802	8149	9956	10471	16689	12537	11523	1	8319	12979	1	10657	8113	12838	15526	12527	12151	10263	6964	1	1	1	9869	1	7789	8812	9587	12354	9770	14354	11333	9551	9239	11127	13728	10370	14865	9949	7860	18099	12568	11214	8517	10842	12037	14299	11137	10847	7894	11993	11478	12099	11194	11033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0941@6.3080125	82348	265143	64682	224486	71449	89048	21457	206780	74746	189287	188120	44688	143564	224680	234463	224936	111361	217950	192144	195796	169312	125790	79959	185019	199670	305299	194053	235915	280587	142714	229539	37434	257224	91341	267047	181314	225134	242608	123043	74523	218595	88896	268667	104450	107261	153015	109390	100415	52330	109618	116172	226761	77973	137374	300461	114366	298469	128893	144927	1	1	1	1	40613	1	1	1	52980	1	1	1	1	96811	1	27326	25394	27393	1	198598	180447	1	197313	197803	147534	180812	124343	92897	145053	73050	135492	111692	1	120802	35814	84975	79896	126225	1	81644	1	53675	117943	210141	189482	38942	141482	66625	115840	74004	122111	145182	225821	1	47943	1	1	279676	84682	1	108835	36252	87802	1	42678	1	85007	155407	1	116711	93926	102623	1	87673	252581	90760	217741	79016	74259	38660	282469	78192	99872	1	77591	1	20692	86115	1	1	96974	57773	248876	96234	233625	206673	152327	260242	86248	86915	228237	82374	1	113769	1	265188	250402	76846	1	200217	1	1	153661	167347	54947	286017	96241	1	1	92084	1	65251	279604	177765	117673	212116	271928	1	271243	1	64874	136266	271920	1	280892	1	233792	1	1	244300	1	77283	116924	1	64231	239854	1	54048	268431	124152	276807
C7 H12 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84589	243109	87124	80257	193973	191172	96416	74325	68783	87865	249781	258789	186640	189892	61720	228609	71428	87717	65504	252620	217275	213590	42704	142807	212365	187428	70703	72073	124210	172185	20058	124113	77423	188745	575474	238531	155210	144446	220839	230453	251246	101345	104549	109780	259849	91795	91507	85598	278747	270839	99847	183020	77334	105120	1	1	1	273570	183451	281771	281760	284300	74726	78395	112920	278033	1	270272	107202	117728	167255	108858	264534	181395	264643	1	166451	200330	174993	263341	106577	267411	96020	1	276027	1	1	264943	112753	267951	292175	107583	271382	110089	108015	127116	113370	107709	115450	1	285623	117554	105122	163513	107542	295579	309044	195126	296894	1	1	1	1	1	220985	304101	1	1	1	1	1	259794	142238	282697	300438	1	225576	153070	1	1	304564	183060	1	1	1	307455	262821	1	244971	89303	316524	209544	280422	239281	331290	172110	1	173640	1	1	331379	245448
273.0064@0.89400005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11323	12053	99841	102002	226042	214911	10313	74432	11557	10484	12943	13167	7930	247369	68235	7848	12333	11148	12969	10624	82139	89429	186136	196928	152552	152823	12682	11294	245824	258903	210112	236383	223323	226855	99359	112460	272499	276457	227090	227373	9875	12657	190243	205850	124645	129113	113118	117122	9600	11373	107547	10363	11339	8743	19011	11022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
6-hydroxy-nonanoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	128543	147303	121885	123108	129051	121928	296808	53553	115789	1	115072	111328	118587	113132	127822	143320	303093	312843	25518	134544	343832	1	136054	143224	140248	148485	131687	1	297323	115641	1	131479	135988	1	96562	1	1	1	154765	1	185406	165293	1	157015	179012	162985	153882	151132	157913	160144	171775	122625	170010	164552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
207.0026@0.91799957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18221	19735	18244	15065	61542	60233	13062	11765	15307	12560	15218	17418	75122	78118	10344	8693	16584	12340	12931	14659	18993	20092	40306	38538	36600	33269	16700	18633	81907	71584	62649	61167	36578	37951	1	1	68224	67544	42068	43773	16765	17350	60851	56514	17368	15104	19917	18184	15037	12789	16112	12930	18666	18681	27976	20431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1237.5819@0.90200037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12960	13828	15108	10957	13352	13371	9231	8361	11198	15581	9310	7786	25238	26230	6637	5562	10244	12044	13441	9682	5916	5647	20292	20577	18446	19023	12352	11205	30086	32042	24306	25165	25326	22857	13218	6655	25769	25809	22156	22002	8986	13183	15030	18055	6621	7102	6436	5562	7631	7113	12142	13845	10991	14416	9122	8536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 1.282645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23432	44292	30538	30219	30314	56319	40400	54177	48469	44293	47683	40526	61263	49899	13599	14826	22119	24244	22144	24463	42424	16631	18353	371928	28614	17470	26845	23778	22973	30109	79845	20872	33600	34532	154489	1	14822	29443	27873	10955	19020	10322	13311	11782	14287	8623	12445	8629	10921	13098	68164	1	15603	23557	16127	1	18805	10803	11056	10576	17690	14929	9148	11376	16551	1	13283	10418	11302	8926	11530	9658	15483	10066	10263	11914	11620	11720	10452	11332	11058	9462	11498	9995	10610	12141	12307	15930	12115	10150	9117	13478	14239	13994	12788	12826	11619	13604	13235	15597	1	10597	11725	11530	10680	12996	1	19139	1	1	1	1	1	1	1	1	1	15483	1	1	1	22664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H8 Cl3 N6 O15 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15570	16063	14507	11579	9819	1	14670	14753	13741	15617	10799	12106	14035	11110	11315	11740	14675	16766	14785	13431	9829	1	9790	1	13348	11669	10816	10939	13358	1	1	10963	12793	11784	10783	10307	10197	13159	16379	16518	12666	17199	14941	13366	19441	15842	15020	15383	12986	11331	16064	16298	19533	15887	22979	16877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.9595@0.8800001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	126297	15795	40795	31989	41300	40739	33751	32690	23042	24856	22918	27946	47323	51525	14732	13375	18951	21012	12489	8842	17879	110584	33359	34358	120148	25306	18469	21625	30457	28271	29750	31100	56489	64275	26469	31272	49110	48109	49079	46108	27069	26974	41118	40497	33925	34004	48231	42815	26096	23590	27137	25689	15118	7781	55293	41255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(16:0/19:0/20:0)[iso6] nullnullnull 0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14974	9866	10856	11240	26220	22750	9014	1	1	1	8864	9618	20650	24300	16985	12930	16516	18314	12638	1	9223	10750	15989	16501	17342	21848	11031	9436	22340	23563	29518	28713	27270	29121	16368	16554	30353	29900	32298	34143	22726	20191	32253	28662	16242	19539	17566	19351	22978	17589	17845	6395	16174	17239	24239	14764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
866.7889@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20131	22115	15589	21734	18504	17681	22480	22917	22183	21131	16874	21471	18411	19444	17827	16801	17890	23633	20778	11640	1	8835	11474	15200	15407	14088	15766	18063	17703	19293	16001	17861	21627	18549	16328	16009	20217	23186	24201	23759	17822	26172	26155	22166	19572	25362	22618	23626	19386	17561	20628	19672	20856	26421	25247	24719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84500015 :82	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11305	11234	11808	8094	9571	7191	10396	7586	12080	7009	10940	9731	8189	8301	11060	8082	9138	11337	9359	1	1	1	1	1	6937	6744	7671	7591	9494	9826	10420	10616	12770	13322	11923	12912	14067	12527	14701	14565	11769	9792	15146	15067	10262	11039	12453	11970	10713	9198	12187	10276	11682	12741	14746	10402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Citraconic acid nullnullnull 1.2216258	181845	212466	192001	206550	159094	165110	188872	191163	191316	207809	142078	149222	171505	191914	179644	175989	150681	155027	168496	180734	122502	139816	232389	314664	181858	198775	178206	197629	181971	221251	450034	431769	512225	511146	35382	36314	122919	141462	28631	30187	166454	132757	319301	323564	658820	679831	35979	39256	264910	274031	12267	10027	61828	62796	80875	81352	183431	190733	35663	51721	33872	24034	117193	79240	29848	36504	32834	25387	28010	30084	35015	27746	19603	14767	23411	42654	15778	8258	15861	18538	142880	136959	26172	24850	76558	14559	87020	152446	76133	79427	37435	39151	27567	17930	58104	58939	47719	43478	23333	30029	78652	62657	29741	40994	29460	47077	29276	21659	26511	25583	40767	30782	60213	49330	25468	24714	21325	19771	31433	32242	23975	26916	18462	18378	25707	24517	24796	22345	28930	31731	27172	19459	32662	29543	28130	31445	34469	23938	29336	31708	23198	29815	25540	25910	188520	16342	26211	23748	29521	28161	25815	27071	34063	32536	30522	28630	18619	21933	43393	37278	26568	26859	34253	35359	24587	20799	22311	19807	26640	29944	22118	16880	38979	40059	19527	20060	34342	32698	21385	18121	24971	27807	18110	17335	37282	36652	42652	41639	23046	26682	59222	55858	41463	39951	21599	21923	38789	40276	19694	20416	33881	30729	20723	19247	35446	31483	51356	44286	45423	42229
1064.28@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9100	10573	12570	15097	10462	1	13912	16477	15553	13876	13913	15054	9312	8990	15690	14738	19053	17412	13254	1	1	1	1	1	8386	10848	13305	10995	8651	1	11494	10440	8595	13341	12690	16351	13881	15567	15582	20076	16692	15232	15348	17157	17868	17527	18309	18778	15128	17390	18552	17982	16843	16631	25681	21738	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H2 Cl N2 O19 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11929	12392	12378	14689	14785	15373	11613	10470	9655	8873	1	1	10654	9181	1	1	8288	9697	9312	12118	15014	13703	11319	9286	15496	11055	8862	1	1	1	8798	8851	1	10469	8621	7950	11367	11273	14177	10921	9615	11718	11581	11051	12204	12855	13439	11357	1	1	9776	11507	12521	12353	12893	13559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
840.0083@0.891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11271	9874	1	1	1	1	1	1	10563	12205	1	1	1	1	1	1	1	1	6680	8237	7557	1	1	1	17052	14327	13103	12248	10135	11683	1	1	13120	11365	8513	8200	1	1	8520	6857	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
148.0733@3.1880245	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25034	29571	29157	28651	31157	1	1	1	1	1	1	1	1	1	1	1	11747	33568	31981	1	1	15599	32772	1	1	1	1	1	1	17585	14661	1	1	1	1	37459	34932	26663	25354	49229	35084	42616	41643	12019	28844	43514	49419	37884	32133	48570	58823	64745	61636	60079	68447	46060	50932	40546	47116	70764	78143	67391	51640	71187	83256	34488	36566	42422	41146	36404	37689	37332	41195	38389	26504	45873	49587	31703	29042	54640	60666	34979	41029	35902	32778	1	1	1	1	19765	19798	13522	14741	13583	12505	1	1	11387	1	1	1	1	1	1	1	13219	1	37087	36791	1	1	10967	10828	13390	14997	1	1	16919	16873	1	1	11740	1	11213	11960	16506	11648	1	8958	12853	12626
> limit nullnullnull 0.8429999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17162	15368	15388	17225	9638	10868	19951	20545	20585	19290	20197	15932	9331	10205	23933	29655	30673	36472	22135	8046	1	1	1	1	1	12653	19189	17685	12608	11680	12019	12542	12786	14162	12799	15879	13575	16374	12757	14816	34938	34763	19011	16818	23126	21904	22265	22557	32548	27745	23253	25760	24183	22159	23351	23566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
558.105@11.645	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16709	52516	1	72059	104148	1	26490	1	151787	36283	1	1	38493	1	7109	1	1	18800	1	1	1	1	1	8905	1	6138	21450	1	1	28235	44991	1	1	1	19042	1	1	25826	88910	1	32855	1	1	35246	1	56601	1	1	1	1	26348	1	26482	25272	20402	68304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
868.7134@0.8580001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9179	11031	8939	8865	13560	10529	8028	1	8768	11423	9622	1	9634	9954	1	1	9581	9052	8143	1	7835	1	9421	10091	9887	9906	7487	7788	11871	11451	11174	9932	10143	11773	1	1	8519	13817	13547	9621	7638	1	8707	8733	1	8290	1	1	1	1	6258	6787	8870	9809	12059	7800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate nullnullnull 3.985176	18175	31615	1	196721	1	1	26518	1	8360	52964	85621	15757	48928	21942	1	122070	16386	20774	26479	1	19863	14443	16257	1	1	106497	141083	30159	55003	1	126157	1	173972	1	1	93385	1	93825	108478	1	1	45272	1	98290	1	38688	14837	106738	183467	26742	1	1	1	1	191494	30981	1	43275	21297	26883	19668	17758	42823	42654	20651	22474	23796	21416	48438	15069	41465	39870	1	47337	31025	24479	17856	25655	50317	27235	42043	49819	42332	24487	16056	15956	75460	76810	69104	66339	44450	29025	32858	11497	70851	54732	48970	18085	59282	48634	63931	47037	50023	19623	66840	49390	86862	14649	71904	47450	12596	50474	62755	34049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9007	8317	7021	9916	6454	9740	1	1	18032	16612	17828	12545	1	1	1	1	1	1	1	1	6554	10373	1	1	6657	1	8836	6541	7811	12177	9138	10427	13384	10319	18289	15999	11906	10890	16058	15225	16041	16482	15861	13118	16936	19938	15661	14944	21770	19921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
602.9428@0.84599996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8907	1	1	1	1	1	1	1	9091	1	1	1	1	1	1	1	1	1	8598	1	1	1	1	11342	10040	10437	9795	11094	8638	1	7722	8802	10758	13560	13131	1	1	11371	10027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
88.0154@0.96345466	228961	263184	244241	271472	279748	294442	284871	233812	315583	307263	271265	269733	263686	259166	249087	238736	294794	196264	243297	273928	232428	252369	258906	272420	294715	311803	273996	253056	245568	262652	298043	297349	266471	250511	280406	266962	316657	295149	184451	211414	290134	299499	238531	259188	208989	182733	150168	181598	267694	304804	229649	238795	218430	201871	354554	393438	256333	292793	13189	25395	31674	10457	98296	96562	1	28551	23763	33076	1	13236	230034	11294	14145	14178	46805	43955	28100	30608	36110	34337	59919	68939	55240	53588	23414	15106	15644	18712	55254	45009	84935	78006	10808	26691	78786	86429	83185	81212	31772	35164	73522	68397	34697	26834	12223	39757	23217	12300	32929	33895	14381	16960	38485	42546	125372	119811	130489	136762	141974	144589	143880	119039	123895	117708	119986	121701	123404	120651	115909	103843	134116	128764	98642	101621	115555	118187	131797	134495	123544	124080	153069	154289	112203	115069	153135	153562	122554	129970	155734	150417	156682	156732	132720	135810	88426	87984	121463	121663	165767	143649	115109	114752	120036	122489	87346	92718	89207	92634	105327	110109	123550	123330	157998	174804	135451	135623	99937	103810	105648	103120	115938	125218	90056	92975	168752	165623	119804	149155	125858	127774	138966	125779	177303	187472	122019	99143	158580	155839	109517	106393	156977	160013	89269	94563	172075	170908	142121	146767	172814	166367
1087.6074@0.8569997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14158	13348	17914	11044	22449	19359	7436	9114	12251	11521	8110	11272	27279	20196	7774	1	9821	8949	9564	13311	9946	9952	19212	15942	14155	16901	10675	7484	22930	23588	21272	21349	22472	18254	6760	5901	20882	18048	14961	17741	11700	8395	15596	10057	13285	12915	11551	8960	10628	1	10237	10266	8919	14668	13408	12634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H45 N14 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10033	7486	9407	7589	9521	9475	9644	9342	6934	9316	9678	7422	8057	8363	7469	8316	7826	1	10097	9141	1	8766	1	7171	7817	10551	9574	8013	7156	8653	9913	10206	7711	8645	12503	10250	9459	9880	10108	9509	64351	10994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14560	14893	15016	14979	13832	13510	12195	13487	14603	14655	13383	12323	13669	13128	11689	8899	8123	8607	8808	1	1	1	1	1	1	7239	7769	7005	1	1	1	1	1	8076	1	1	1	1	1	1	1	1	8008	6863	1	1
730.3443@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6159	5730	1	1	1	6019	6688	6073	7686	1	1	1	11818	11188	8994	7123	5854	1	1	1	1	1	1	1	7077	5741	1	1	1	1	1	1	6687	7307	6251	5977	8722	5774	10021	9671	10044	8821	8949	9095	9163	9984	9171	8468	10410	9228	8842	9548	12161	7390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6066	6634	6859	10800	8452	11181	5982	6824	6124	7338	6093	8939	8990	1	1	6349	1	7885	8114	7497	6031	7950	8875	9212	9162	1	7183	1	1	8264	8734	7703	10405	1	1	8753	8117	7301	8365	9609	1	7166	7037	6217	6968	5904	8796	6848	1	1	7325	6787	7370	7046	9809	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
497.6983@0.8629648	16438	16073	21004	20473	17477	12963	14121	14548	14401	18506	16480	12461	13384	18986	12860	16858	14938	16172	15987	14781	13449	12669	18511	18557	15321	15417	16686	14841	16954	16060	10538	10148	7769	8722	8060	9932	7112	11595	9686	10077	10381	9367	10163	1	9907	7399	11547	9093	7314	7247	1	1	9594	8579	6588	7355	10497	11264	10710	10746	8558	8021	10689	9987	8410	9724	9198	9993	7892	8287	8032	5917	1	1	1	6112	9018	8991	9483	9202	9622	10680	10964	9102	8027	7341	1	6839	8541	7444	8245	8046	1	1	6742	6157	8154	7782	9595	9833	9338	10100	8720	11131	8196	9333	6754	1	9491	9395	8274	8020	6920	7680	6080	1	6745	6350	1	1	7644	5837	1	8021	6020	7139	5746	5672	6345	6724	6076	6416	8116	6532	1	7295	5489	9226	6572	8247	7075	7121	6122	6140	6888	5868	1	1	8239	5922	7184	5879	7150	1	1	1	1	6981	1	5737	6097	7262	1	7267	1	1	1	1	1	1	1	1	1	1	1	1	5852	5845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
462.73@0.8690002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5926	6677	1	1	1	1	1	1	7671	7914	1	1	1	1	1	1	1	1	7663	7417	6185	6462	1	1	6179	6250	7775	8038	8275	7179	1	1	5478	6832	6141	1	1	1	5730	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84092647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8229	7070	10084	1	7712	7287	10255	7916	10732	10445	8512	7366	6820	8469	10018	10032	11637	1	1	1	1	1	1	1	1	7107	9934	11432	12058	1	9111	11195	11216	1	1	12842	13399	10175	8418	15184	13146	7363	6052	8360	10799	7625	10203	12449	7168	9206	11174	9766	10668	9849	12628	14641	11588	11482	7314	13351	11352	17799	13787	10752	15291	14214	11827	15228	12480	15288	11431	11338	12689	11674	12340	15587	10921	15633	13509	13731	12567	11625	12476	10867	11548	14634	15328	16956	10570	14425	11579	15190	13335	13252	13835	16184	13035	11973	12991	13036	14660	13839	15088	15272	16405	12129	14286	15015	12283	14717	15341	13186	18842	20050	12133	13749	15159	17029	16474	15875	16361	15032	15208	12810	13545	12440	18222	12821	14524	17022	15254	14244	16047	14946	11135	16115	15444	17195	15309	14325	16241	14211	14260	13654	14648	15107	15085	16745	15557	14487	19121
932.3924@0.8660002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9726	10579	12387	11896	10858	11292	12365	9379	12886	11303	10608	12771	10172	6684	12066	9096	13846	15011	9927	7090	10737	12560	9545	12433	12546	11071	9534	10973	11051	12181	5673	7205	8509	8856	10006	9460	8843	7491	12733	11823	11513	12002	14911	11935	13423	12887	15592	14941	13354	14259	13705	13781	14609	13817	17446	14485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glycolaldehyde	39104	83585	102061	168225	55991	3252139	138128	1176748	580521	600505	66039	98950	310467	173323	146297	888448	227651	173701	929027	870643	221403	115269	406643	79857	268781	118970	641117	444394	263012	184101	236654	542182	547551	561015	2904787	377710	270761	305489	621087	1054693	315911	373239	347385	300107	418310	270895	595502	704588	125396	125991	249628	155176	651096	682706	77042	132225	560183	866466	516333	537395	459872	525695	601248	666234	522230	539258	745124	513776	476863	457884	617918	645509	404809	470938	529856	521315	522941	535005	431091	462904	478539	451604	478306	506030	379925	391382	268348	280068	288868	233145	571038	580079	410165	426107	639900	630225	676412	644897	522341	520774	621639	637725	480273	507121	579074	566333	527104	527892	451004	495296	537968	597770	1	599484	89725	128540	119690	4151	271418	266399	213092	39372	5415	1	100243	29372	220074	3629	83180	82999	296516	3803	2326419	91896	232765	255208	1	9738	51323	82184	204617	162399	230482	101270	121233	218580	676121	198335	142949	161363	1	1	212403	666006	332135	400737	170083	259045	262667	1	236762	3159	253606	1	415429	443395	295244	324996	32008	705894	46877	25966	58812	117379	496052	629967	421460	357019	542719	16494	315827	37539	507475	301636	199465	206256	592969	183200	451071	247360	185079	210880	183023	319837	361159	578548	682889	238330	594098	358621	147475	103877	447401	502326	195001	170205	195426	222390	225220	124820
C31 H11 N13 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41059	33977	61505	260496	92937	130330	122426	112486	47961	82913	109866	53616	118684	240769	59095	52916	120591	22482	45354	79654	1	17327	1	1	1	89927	37212	56865	44174	56365	50005	68531	32745	51347	48610	56302	68744	69337	36608	55343	45112	86207	45730	30838	55982	78969	12599	35608	52930	44024	38016	28972	113515	41616	41118	50273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1077.5048@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7242	7975	1	1	8609	7160	9188	1	8536	9595	1	1	7525	10088	1	1	9128	1	10978	9527	8945	7535	9608	8276	9151	8865	1	7280	9105	10146	1	8087	6968	9758	1	1	7368	8490	7192	1	6763	1	1	6671	1	7946	7786	1	1	11388	1	1	1	7239	1	6691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
695.6285@0.8630003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8851	6661	7948	9513	11242	14126	9291	8164	10178	8046	8497	1	9312	11310	1	1	7098	9944	9674	13564	8893	12450	6691	8700	9145	6944	8530	7069	5981	8274	6798	8250	6570	1	7637	1	5537	1	9463	1	1	1	1	1	6874	5660	6985	7839	6964	1	6471	7266	1	1	1	7914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
892.4423@0.86900085	15322	13858	11249	17260	11172	10712	15133	13263	12465	15795	11631	9985	11125	13838	9872	13345	13349	13007	14536	9395	9749	10207	14580	16614	10136	14175	15358	13313	15446	14830	7081	8338	9137	8780	8328	6970	7863	6633	8274	7643	8853	9037	6102	1	7523	1	6428	6403	1	1	1	1	8681	5866	6306	1	7717	8145	10639	11315	12129	9806	8984	8077	14425	10952	10706	12906	10410	11846	7847	1	1	7197	9155	10211	14183	9880	13616	10188	8725	9052	8243	10798	10024	12665	1	1	7287	5502	5636	6168	7600	1	7127	6003	5664	1	9095	8984	7993	10720	7485	9395	13565	11862	9884	6554	7985	9326	11810	9339	8288	9466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic anhydride nullnullnull 1.2666208	73660	69947	62537	43560	140799	92056	64121	130006	65045	74319	98544	50817	45805	57397	56690	57700	52563	126971	66160	61681	47256	104475	92906	183722	84060	133828	46579	72233	128055	49459	102399	99169	136022	133070	129865	131889	119581	109183	124975	155606	73692	120949	86708	88330	118493	136450	111113	98104	79851	87488	27080	47966	135309	141357	79365	74972	199359	224682	139301	145854	131006	126201	1	1	155483	147231	118368	116805	106297	107493	1	1	102196	94909	134382	137388	129656	121665	162671	175176	66282	1	1	1	128812	137472	1	1	1	1	1	1	112838	102597	1	1	57375	1	150281	147795	1	1	146267	1	1	1	144091	142620	121939	135356	120080	120648	1	1	129153	129910	123630	64934	130615	124653	133928	136476	91426	128879	183483	178098	124578	125455	119077	133569	76086	93897	111540	198212	162191	174615	92168	87038	94184	39302	116586	74231	81888	62263	93404	162088	121375	120585	146709	132386	118841	110800	65118	177954	106637	70013	95115	106327	107790	132813	113520	107693	140211	130518	149727	152006	124118	127156	152551	150200	111752	104880	195282	192833	124266	121989	186060	192489	115485	120542	140155	151365	109673	115850	203365	197666	131987	124113	139420	145459	286516	279777	201466	148971	134040	136164	219839	200790	130042	129511	167788	172112	113990	107180	167468	168532	238000	235322	210072	213072
712.5922@0.8699458	9476	9701	12253	1	1	8534	9620	6725	9768	7120	7676	7229	7469	9049	1	1	11024	1	1	1	6607	6843	7015	9854	6439	7432	7428	8283	7676	6941	9447	8313	9333	10729	8605	10088	9495	7149	1	8717	8206	9785	1	8497	1	6915	6508	6308	7431	6981	1	1	11190	9158	8981	1	9276	9549	8199	9719	7325	9029	12062	15408	8643	8563	6004	9187	7526	6689	8940	14403	1	5594	1	7645	7395	8459	13781	7681	12207	8776	12806	11771	7617	8697	7103	6060	8756	8887	10099	10948	7629	5724	14186	10898	7032	9550	6588	7129	10825	11013	7111	8264	8751	9554	1	5835	7442	6586	1	6221	11944	11986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
590.2656@8.063002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9267	8698	9802	1	1	1	10990	11377	10051	12737	1	1	1	1	1	1	1	1	8989	1	1	1	1	1	8372	1	8929	1	12307	11711	19984	19674	12437	11957	1	1	1	1	1	9917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
644.5971@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5749	7762	8013	1	7370	8163	5838	1	1	1	6395	1	1	9293	1	1	1	7502	10867	7943	7345	8764	8345	1	6160	8790	6756	7248	7398	8755	6450	1	5781	9177	8388	7995	6149	8039	1	7809	8062	7858	6482	8642	7104	1	7844	1	5918	7973	1	7700	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H2 N4 O11 S	11000	9717	14063	13889	8545	7322	14704	16115	6055	11357	8176	9179	6807	5630	10515	12059	6845	12350	11833	11812	7530	7385	15032	16454	11651	9706	8384	8979	16598	15471	11719	10375	14247	13236	15492	16297	18880	16569	11391	9076	12953	12648	14480	12788	1	9190	13376	12929	9623	10388	1	1	16283	11520	10105	12067	22000	19518	37840	38903	17888	16180	21812	19129	12586	11553	15242	10640	25560	25676	22317	24624	18488	13616	19990	17132	22062	21733	19320	19805	17351	16684	17699	16989	24253	25435	33771	16332	33923	33560	20559	19877	1	9977	23003	20343	21722	19867	1	1	21105	21196	24263	23471	23227	20943	19769	21172	26838	23985	29684	28443	23935	28298	12479	13423	10697	11810	13655	14678	14123	14060	1	1	13550	14188	13177	11743	13834	16451	13574	12351	17734	16200	17458	16623	13688	14186	15897	15826	15079	14900	14133	14926	9493	11788	13675	12821	1	9151	12856	15546	8441	8503	19381	18050	8705	9262	21118	22796	17209	16457	9409	8648	1	1	1	1	1	1	1	1	10684	14699	1	1	8448	7609	1	1	1	1	1	1	8051	9688	20367	18667	1	1	12254	8735	14166	15538	1	1	13286	12355	1	1	7532	9625	1	1	9616	9349	14520	12546	13414	11417
851.695@0.8549997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10530	7703	10064	7656	12354	10294	6932	1	8545	10347	10825	5743	8543	9818	1	1	1	6697	1	11323	6396	8032	12077	11193	10855	9105	7355	1	14944	11910	1	12808	8742	8302	1	1	7333	8362	12212	8365	6472	1	1	8772	8426	6304	1	1	1	7323	1	1	1	7004	1	11721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1096.9045@0.88599986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9829	8497	1	1	1	1	1	1	11917	9317	1	1	1	1	1	1	1	1	9141	9277	7830	1	1	1	11268	10974	9999	9736	6902	10469	1	1	10810	9367	8503	6676	1	1	7724	7403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84799963 :83	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14535	10439	15048	11239	16667	19086	12406	12812	14911	10777	8825	9782	13433	11409	1	1	8457	10213	16359	9011	9900	12598	1	1	12610	9713	9241	9877	9980	10828	10923	11421	11453	18759	8075	8850	13734	16186	15362	14722	13794	16592	15281	13553	14880	16100	18115	12870	1	1	11209	13115	15025	11505	17196	10990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Iodophenol nullnullnull 1.1404008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91756	93892	86266	106803	1	56399	108408	120432	100133	78497	104687	76969	24894	24306	176281	437119	103938	1	62960	62843	1	1	32436	32432	32143	38317	1	53349	6790	1	59225	27889	21727	18555	584709	84791	21027	20405	71903	29379	50096	56804	30688	1	57168	53769	46254	41364	67712	53975	46187	57949	61386	137694	1	69184	86890	66838	33271	15178	20923	35407	18596	56704	29064	38454	26106	23189	55720	39250	38855	27470	34909	51071	24551	32226	91205	82923	10203	25260	31478	30414	24795	29199	31600	34264	91870	52086	51392	50636	26315	1	39813	30860	82813	53884	91567	76793	62013	1	1	39556	32480	34025	16141	6468	134974	54616	1	56822	84465	1	160124	37049	1	89943	35363	127017	35613	1	198341	57595	1	134729	142276	148893	1	83362	51323	49260	1	1	42254	36490	66963	52678	21831	1	57271	74314	1	180639	99072	59382	200161	169324	1	121597	104100	41913	111284	63288
4-hydroxy-pentadecanoic acid nullnullnull 11.755125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36210	110291	32949	75842	46647	91395	72523	43265	1	26600	104571	40589	23467	38784	42056	56167	47518	45571	42664	112911	50131	50508	125447	171869	132296	126153	48270	51825	110710	115191	68243	42675	54600	110676	100345	70808	69775	70553	73985	48876	52777	71555	76672	58161	76069	130745	68936	68207	150137	63922	79911	63949	48517	65157	1789822	158994	57541	125370	178059	74481	73414	59395	187686	124218	59584	77982	187842	144610	1	73473	173330	187467	72231	30605	72384	141086	177320	60109	83484	147457	38938	176527	186769	191447	43171	180734	179619	86633	181427	56253	66394	38227	35822	57681	64639	74042	74824	141241	172962	83321	65505	178872	66810	154071	66688	42496	78724	78688	153521	128616	71786	77405	207692	70145	205273	110037	115039	124249	84817	218890	60144	143183	149880	129271	204712	14966	89989	70645	35125	206630	138309	74196	147316	71026	76865	147549	163772	204958	67832	133974	157135	106490	107447	186095	72702	137396	1	83230	82683	102860	84255	214599
768.7645@0.8600002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8479	9774	9017	7897	11381	12487	1	1	1	9449	6989	8855	12771	16740	1	1	1	1	1	1	1	7878	12098	11195	12493	12415	1	6679	11955	9982	10241	13084	8440	12374	1	1	12723	11425	12117	10915	1	1	8717	12727	10295	11070	8196	8107	1	1	10485	8575	10123	8197	8889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
129.0428@1.5369996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8050	14186	13254	1	1	1	1	1	1	22369	19616	1	1	9242	1	1	11081	18924	24324	34667	29838	34181	30945	11251	1	49010	50453	37979	39608	27762	26265	1	1	33781	31358	25594	26322	9690	8933	23865	29282	9412	9869	13035	9567	1	1	16052	16657	9936	10867	20469	19851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H6 Cl O11 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26607	25124	26688	27820	15464	14418	28884	29704	28023	27817	25512	22759	8601	10318	65528	62280	59059	57549	35774	11863	1	9087	1	7753	10240	11598	22999	25444	9377	7332	10201	9620	14420	11812	34693	34658	15524	17022	22553	24209	64343	64428	30063	27070	55438	54220	49945	51558	50432	53056	53260	54079	52553	55396	82911	58552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
862.7714@0.8449999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7056	5837	1	5862	10382	6890	7188	5981	1	1	6943	7526	7962	7213	6517	7589	1	6173	1	1	1	1	5696	1	1	7789	5774	1	1	1	6044	7905	5809	7362	7882	10121	9836	8201	9515	10589	6566	8265	11905	8895	11832	8563	7447	8756	5496	1	8545	1	7163	10232	14847	8688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,4-Dimethyl-5-hepten-1-ol nullnullnull 8.398995 :84	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	253231	261781	242760	257567	228452	266525	297468	237470	286456	252488	271649	253057	210648	245813	253940	70297	115738	286315	80285	60510	310785	267326	257674	328073	130057	496939	145642	450959	123960	151556	305205	222976	295323	438628	291729	237823	339131	256776	111337	386540	338490	333861	110187	175153	127795	310162	416162	612644	355272	386342	322714	128253	683490	623153	1.35E+07	276614	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
373.9903@0.9063955	1	1	30572	42132	1	40182	39576	26267	67971	1	1	20304	26168	31915	21400	23198	25145	31548	19077	28498	18227	13293	48134	41308	29477	29258	22660	19949	34971	37433	1	1	1	1	1	1	1	1	1	7758	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8600	9745	8406	7588	13133	13670	1	1	1	6512	1	1	7664	1	1	1	1	1	1	1	10339	9506	7294	1	8622	7164	1	1	1	6872	8075	9885	10344	9984	1	1	8054	9991	8906	8539	1	7025	10215	9669	1	1	10145	8258	1	1	7142	7316	1	1	10639	9248	6499	6979	10133	11002	8312	7682	10304	10238	1	1	10775	10137	8793	10642	11674	11263	9783	9043	13231	13290	9688	8747	9736	8539	13740	11505	16400	15363	10455	11064	1	6141	8588	10038	1	1	11088	11705	1	1	9737	10789	1	1	21736	22229	13251	12366	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8103	6546	11918	11580	1	1	8569	1	12240	10192	1	1	7774	8169	1	1	1	1	1	1	1	1	8869	10549	1	1
522.796@0.87000006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11541	12387	12229	9109	12024	8876	12297	10715	10702	12002	10507	12164	13233	11903	1	1	16858	15875	11883	12114	1	10167	6638	8600	12533	8719	1	11839	1	7956	9481	9814	6513	8890	1	1	10080	1	10126	10076	12161	14716	9470	1	10094	8767	13817	9606	13368	11846	8901	9943	10393	12100	11968	13240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H8 N2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22571	21062	19636	18603	21723	19730	15562	16830	14856	15165	1	1	20935	26874	20051	16851	22041	20763	16932	23556	21555	25229	20834	19226	20811	20644	13483	14788	18281	9423	20192	24150	23348	18933	19225	15580	23211	16755	21521	22990	23886	20928	25177	25384	16562	19699	22508	19119	12274	14382	28948	32563	23886	24582	18949	24722	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1166.6879@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11014	1	8025	1	8443	9352	7102	14813	8312	9645	9344	6477	6614	1	6124	6456	7987	8291	6797	1	1	1	1	1	1	10089	6251	1	8643	11737	9398	10868	11605	11700	9257	10612	11534	11016	10125	9723	7450	10200	10432	8988	1	8070	1	9054	7415	6822	8248	1	6811	9000	6266	8522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N4 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	347923	333289	367230	360244	373689	355390	348993	348910	378660	385722	349644	370677	348774	357253	286244	263606	365276	370288	374166	369233	373887	375880	371922	348255	381195	369012	347640	342652	284510	283630	302065	303859	343103	339037	246128	296272	397372	410053	421061	404941	373140	382960	417695	409925	421058	424453	436864	428459	375279	378435	397180	408529	414520	409432	613918	489719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H5 Cl3 N O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47582	46503	39518	44132	35022	34218	43041	41423	43981	43171	41065	42756	37560	35204	29443	28762	35830	36711	36239	45169	46892	48370	36522	33295	39432	37772	36555	38017	27856	26794	26795	27199	30723	31282	25028	22967	36187	29935	30018	30820	41828	35371	33108	33013	38946	38161	39913	34783	39681	35382	38804	35851	33706	33001	40989	37679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Protoanemonin nullnullnull 1.259 :85	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81334	80598	52839	56254	150983	194461	97454	100317	67551	68413	53878	46481	134243	122473	51032	46642	76729	60204	73458	60271	98956	108516	149144	132808	146369	132878	67210	68355	143859	177107	214626	226446	103142	112567	36855	41248	178019	165218	165408	175536	86415	94219	214732	205417	66145	66185	68518	62221	74162	72547	52907	63187	53372	49559	97843	78334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1023.8387@0.8820001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12533	14936	1	1	1	1	1	1	14840	15155	1	1	1	1	1	1	1	1	10034	9036	10019	9964	1	1	13862	12678	12993	13590	14272	16234	1	1	15559	16437	15474	14001	1	1	11494	12409	1	1	1	1	1	1	1	1	1	1	1	7246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8403407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7222	10380	8742	10850	1	6727	7615	9093	9026	10020	11061	11046	8808	5864	14264	14049	11108	14939	11012	1	1	1	1	1	6169	6033	8467	8944	9947	10288	7937	10763	10482	11401	7974	8282	14652	15371	14314	12829	17512	16618	11814	9617	15098	15220	13415	15588	14070	10126	12835	10629	11492	14067	20727	15509	12860	11921	10017	8950	12869	13690	14580	11926	9587	13341	11978	10619	15737	10405	14022	12585	11928	12765	11023	12269	12835	12595	13461	13547	13602	13364	12510	13443	11189	12774	14184	13599	13006	11074	14636	12026	13198	13216	10196	11328	14407	12068	10570	11945	11244	12048	13929	11912	12965	13929	10383	13075	12471	11383	13088	13322	11759	14947	15128	13659	12925	13713	15875	14567	13080	14304	13700	13992	11228	10828	12740	14519	13207	13750	14561	13511	12364	11997	13958	14934	13515	13636	11694	12866	12948	13651	16250	12301	14037	12850	12154	12751	12582	12759	11938	16099
82.053@0.8669999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6961	1	1	1	1	1	6971	10471	10808	1	1	1	1	1	1	5914	1	8380	7563	7162	7124	1	7314	8832	8832	6777	6973	9382	7688	1	1	7029	8041	9971	8451	1	1	1	6661	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chaetocin nullnullnull 11.64903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38601	51902	35805	41047	41223	47352	52091	51264	42916	41541	43383	43738	39320	39444	38086	26435	19970	27527	27920	28120	30961	39549	38960	39344	37583	29993	29970	21064	25561	19838	24304	22618	32907	1	17506	21068	33747	26128	28794	29244	31403	31624	30717	25624	27351	29723	36574	30370	25325	24932	34932	29539	29517	25712	49162	26536	1	1	1	16856	18649	1	1	17480	1	1	19942	1	20899	1	16642	19618	21301	1	1	18479	17391	17563	1	1	18505	18458	16047	16733	16746	1	1	1	1	1	19208	1	1	17173	19526	1	19104	19762	17900	17599	1	1	15074	19083	17454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
204.0987@4.2050014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20975	20317	1	1	1	1	1	1	1	1	16426	16019	19807	16589	17299	1	1	1	30077	31315	48745	48121	46503	45494	20580	25990	18921	20239	21310	21064	15956	16235	16732	19017	38077	31857	43673	42306	28363	24479	51813	45566	21906	26677	31188	31592	17863	17895	41680	44188	29626	28197	66100	41729	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
969.0123@1.104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89861	99055	1	1	1	48377	1	1	1	80036	82664	1	1	1	33023	1	158347	1	1	93756	1	1	1	1	19195	1	1	1	1	1	1	1	1	1	1	1	178765	1	1	31479	57345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H26 N6 O18	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14959	59245	48568	32909	31542	24690	23506	46046	28270	33673	28337	31435	42457	20693	38370	22049	31534	18865	18504	1	36366	13155	18240	39104	18508	21137	27659	19566	18652	12652	16340	18374	29835	1	21861	20823	33106	21336	31893	19559	19311	22872	35164	21996	18716	21913	32384	19566	28766	17422	20734	15911	21595	22047	31996	30775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H O18 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10607	10169	10335	13057	12489	11057	14197	12737	11788	15581	17661	15896	16730	13513	19481	18983	24564	27473	14835	12452	9952	7997	11589	8267	8697	1	17845	12209	13885	16782	12311	6730	18286	12308	7730	10884	13265	10501	10809	1	23846	24683	7963	11673	14230	15641	18080	19488	35028	32722	17138	16048	20114	16323	25203	19468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1103.7249@0.84500027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16017	23039	22628	25243	20338	18343	21467	22446	20211	16723	19234	17567	16716	12487	27952	29250	27211	32869	29116	15303	1	14637	9545	13211	12052	17216	20295	18629	15019	13759	17167	18170	18533	16759	27533	29288	17949	22588	26511	28127	29129	38489	27173	27268	36205	33032	36334	32755	19718	25829	31787	31642	27814	28328	42821	34026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
873.5958@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7358	1	7503	9594	12140	1	1	10564	9429	1	10713	13544	12091	1	1	6365	6385	1	1	9598	8120	8261	11354	8378	9061	1	6327	9937	8571	6120	6999	10813	10023	1	1	7329	9341	11069	7942	1	1	7741	5715	6216	6955	6228	7647	1	1	1	8566	6703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1068.7638@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15715	19842	21821	22877	16477	20528	24336	22229	25872	25771	27618	20202	17409	12901	31399	41381	38488	39571	25709	11349	1	1	10313	1	14804	16880	23402	25139	19103	13338	15372	15637	19816	20915	26289	31558	21225	22411	30490	28427	48144	41237	33358	34813	42605	36710	36038	43745	31977	35784	39115	36967	41384	38105	48067	40588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
391.8769@0.8678409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14843	22979	15240	14184	21131	22191	21603	18955	24346	19547	10853	15743	23758	41093	14867	12394	17406	16563	20151	15812	11597	12450	27028	26933	16346	24953	15119	11559	38016	32780	11367	19839	18967	14358	13899	11434	21770	27253	19888	16194	21310	21978	17933	19357	14735	19410	20612	19034	18038	21047	20847	20654	18784	16607	17571	17211	20238	11797	16785	14345	14366	16954	15754	18659	19468	14617	16683	19066	13453	17909	12319	10892	13989	22724	16465	12006	19046	16585	16698	19191	19550	17238	19558	13344	17114	12279	14135	21958	16698	15951	24352	16302	20194	22160	15778	15362	12505	14722	18077	17237	19422	20506	14866	13558	16161	19054	11402	1	13962	14183	15735	11632	19175	13276	14692	12294	15440	15803	14040	13128	14453	15971	13594	13135	14873	14907	8389	9975	12964	13696	14717	15491	10261	8880	14543	13705	15730	14171	14675	13089	13970	17898	13160	12567	8279	11679	16473	14819	10618	12280	11430	13390
1110.018@0.8880002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14509	10149	1	1	1	1	1	1	11160	11145	1	1	1	1	1	1	1	1	9287	8465	8818	1	1	1	15461	14327	15023	9832	11292	10519	1	1	14327	12437	9845	9133	1	1	10552	9142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H51 N2 O20 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13395	11496	10029	8961	9567	7839	9851	9843	9015	9595	6411	7195	1	6730	6469	1	10091	8528	10097	7906	10777	11622	1	1	1	8207	6171	8989	1	1	1	1	1	1	8122	8907	1	1	7959	1	9864	11135	9428	9440	9521	10409	10254	12122	7111	6714	13004	14415	12337	11051	11155	11901	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C34 H22 N12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9450	9620	9743	10911	16136	14629	7965	6337	10390	9022	6757	6770	18661	19650	6630	1	7521	6316	7019	7393	8107	9062	13825	11821	17090	16053	1	7199	39584	39085	26205	26440	13159	16093	7462	1	21860	21547	21099	19305	7908	7737	20516	21956	9734	7984	9413	9189	7737	6350	10112	13148	11323	8515	7071	5962	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1076.522@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11129	10933	7465	7903	9967	10369	10664	13351	10255	11870	1	1	10490	12550	1	1	10019	13419	10499	13745	10857	9848	8659	7878	10707	12908	8519	9145	13686	12670	7770	9968	10582	13098	1	1	11833	9445	9607	11664	8685	10013	7875	9540	6508	7949	10103	11423	9190	10005	8881	8847	11795	9568	11264	7806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
960.29@0.8429995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10458	10650	12729	9626	9504	10190	11874	12674	14777	13059	13980	15751	8381	1	17886	14278	23291	19613	12416	1	6664	1	1	1	1	1	13699	18168	9212	8018	9792	9528	11937	8051	12385	12700	14593	11954	17410	14875	17447	19677	16556	14058	19601	17319	16807	17754	20336	21356	18611	20055	17328	17188	24587	17617	1	1	1	1	1	1	1	7639	1	1	1	7668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7630	1	7133	1	1	1	7351	6839	1	1	1	1	8973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6552	7048	1	1	1	1	1	1	1	1	6916	6502	1	1	6280	1	6048	1	1	1	5989	5725	1	1	1	1	1	1	6699	1	1	1	1	6298
> limit nullnullnull 0.84700006 :86	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15148	13843	10856	10929	14066	14839	15612	13917	8225	10522	12925	14035	10731	10539	7752	9171	14572	14659	13185	8187	7389	1	1	7797	6462	13747	12299	10984	9531	10093	12604	14205	14145	16460	14230	14458	24662	16580	18159	18185	8932	12444	16803	21952	12963	14988	11537	13596	9435	10822	8470	9675	13089	16875	12377	12425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
526.8208@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7897	8430	1	10609	8738	10847	7704	8177	9328	10786	13877	15309	11669	10090	1	1	9196	11639	8431	10404	10147	8572	8861	7187	6975	9096	12156	11849	9386	7246	7547	5909	11037	8303	1	1	7900	8384	8841	6503	7820	9230	6401	7636	6531	7292	8175	7279	11159	12370	1	1	7522	8608	9555	8452	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.1252@8.537495	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29066	109173	1	1	1	1	8145	1	1	1	1	1	9498	12186	25247	23200	29637	9581	11789	6891	34114	16798	9780	9805	23807	25201	16319	19038	1	9414	22848	10229	1048901	28233	13207	12719	12815	15120	25815	9223	15812	14390	28206	33068	16149	18313	20190	21522	30754	18235	22233	20035	10824	17622	12595	16500	15413	16860	19841	16140	15451	14493	16413	12956	19977	17714	23179	20507	25620	19534	15728	21300	22586	15721	10175	14394	16107	21648	10782	8232	19830	20459	17890	14238	31774	46029	30317	1	14753	1	14685	9919	1	1	224252	1	16193	12574	20809	16028	32559	25552	21275	22900	28703	15954	17815	32847	48070	17849	32877	27729	22706	22411	19935	18162	9134	26583	25072	22847	144296	10979	9243	22370	17312	1	84326	71608	13597	1
1189.6937@0.846426	32964	33915	35638	34840	28635	27859	38194	30283	33902	27295	32110	28225	33298	35627	27968	25076	30963	32609	27814	29767	27096	27434	30188	35509	33628	30621	31610	32015	36144	31869	16181	1	12723	17226	19250	11567	16552	11743	16988	17270	19078	15535	11962	18500	18072	13690	14415	16858	12319	9055	1	8976	11052	13020	16721	15755	15322	11997	7446	7277	8281	6722	11105	7590	7757	10037	7336	10211	9334	9063	7751	1	1	9097	8231	9955	6754	1	1	1	1	1	1	11501	7213	6192	8153	1	9295	8425	1	12999	13645	13204	13072	10396	14225	15771	1	9992	13349	16475	10092	9233	11885	13341	7994	7356	1	10250	9947	7133	1	9017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1119.5614@0.8619997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7875	11907	1	8548	12250	10595	11990	8702	10485	10730	6205	7390	13645	17163	1	1	7810	10456	13153	15212	13829	10212	10441	8692	12203	9546	11296	1	13257	13373	8862	10479	12433	11351	1	1	13611	12953	10135	12503	11378	7451	7397	8048	10316	11156	8481	9421	9273	7007	8397	9263	8446	7591	11468	10220	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
893.7789@0.84299976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28142	37573	34483	37412	44145	36702	24631	20541	26401	27673	27368	28099	39004	30547	40324	30911	34302	23374	17044	12138	12907	13638	13556	23122	28055	30179	18365	20753	27501	30047	37333	33471	45642	35237	28880	25246	32816	44516	63693	52166	19118	28253	41076	66146	35177	38756	31846	31763	20838	21895	28528	28229	42164	59566	53326	39126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1115.6748@0.8510004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14894	10887	10784	10633	9943	10565	13899	12061	13812	8439	9009	10206	12410	12230	1	1	11096	6674	9763	7995	7644	8225	7283	8564	13625	12717	8364	6842	11751	14943	13682	16752	14580	16394	6723	9646	16806	18832	17122	15202	9611	10575	10936	15246	10789	11599	11432	1	1	6569	11422	9249	11027	8656	11458	13851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
160.1103@6.337002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57069	1	1	1	68266	155593	43407	166334	89970	46805	155781	140692	65665	1	1	44676	90101	1	1	170367	165622	148713	35645	57678	1	50300	71331	65881	48037	1	66772	20528	1	70357	108442	178330	206391	1	193036	94668	119667	212296	1	1	103376	1	1	192882	64534	228096	221818	1	1	1	520298	74388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
134.0582@1.2490002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6487	15792	14820	1	1	7231	5759	6084	1	23704	28190	1	1	1	1	1	1	1	8096	21635	20800	18229	17090	1	1	30069	29844	18756	20842	29532	24756	1	6315	28173	26225	24458	21975	8523	7230	21423	19458	8682	8525	11760	12318	1	1	8750	9096	6764	7367	15883	14364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1093.4863@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8414	7632	7415	7698	12476	8566	7395	7476	8043	9026	1	8279	11635	9288	1	1	9521	9230	7223	6860	11351	11726	8693	10984	11412	6632	1	7383	11993	8759	10132	6473	6376	6501	1	1	7330	8024	10635	7588	9369	1	8794	10760	7385	8829	9107	9171	9593	1	9060	10138	9715	10039	12581	9519	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
L-Arogenate nullnullnull 4.9089975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34488	29885	29754	27899	25836	29467	30251	29695	28414	26370	25827	25515	26007	24759	24138	20165	24811	24963	25067	25377	15656	23004	26513	22891	23771	24494	23594	20567	23669	21864	23355	20441	21067	18945	19871	18469	23025	19534	23066	20673	100286	23652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1077.2849@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8822	10597	10246	12627	7965	7396	11135	7969	10996	13221	10934	14497	1	1	14502	15066	13862	16951	10725	1	1	1	1	1	7525	11603	12581	10516	1	6300	9344	8152	6989	9955	11165	11729	10503	11506	10723	14777	13750	12311	10278	13117	15291	13963	12142	14104	13224	17240	13533	15083	14427	12423	19288	13841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
589.8162@0.85537744	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42792	42239	36770	34148	40519	39485	38083	38452	38263	41037	27380	30508	38784	38112	19620	20018	33582	29485	31102	31971	43485	38043	26095	28271	34976	39761	32671	21207	23218	27332	27524	26637	21742	22129	23088	18494	36480	28494	30197	33250	42248	41089	38953	32248	42418	28155	31977	30471	31043	32780	30284	32369	41919	33114	40080	38113	15970	15099	16857	16318	15216	14534	15952	18307	10903	12032	16487	15350	15692	16756	16434	14016	14045	16241	15665	16816	20318	16556	16159	15131	18084	16109	17579	17167	17419	16502	15250	18317	14129	13898	13673	1	18819	15991	10564	11825	12565	13687	12550	14442	18324	18238	18860	17715	13865	11535	7081	6669	6309	5954	6929	6863	6283	9174	9772	10550	7069	8591	10867	14263	7475	10023	7603	11098	6843	1	12646	10528	9573	15309	10455	8983	11154	12035	15035	13876	8339	1	10716	14905	6407	7585	12462	10728	8298	7613	12948	12384	11296	9577	11074	8891
Maleamic acid nullnullnull 0.88800037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12666	15353	19409	16955	27560	21705	14400	14156	14521	14131	11488	13737	27539	21224	19943	17068	12766	16053	14567	11506	11619	13467	23932	20695	18007	21383	15785	17303	21177	31582	28513	28703	22738	25491	16293	22857	28865	26194	21043	20297	16097	13724	27926	23859	18776	23476	20623	16514	15771	13922	24202	24814	18156	20311	24954	24123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H6 Cl2 N3 O S2 nullnullnull 0.8375268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24178	18077	14979	18260	14831	13010	22098	19319	21356	19248	19575	19840	15057	18934	12537	12198	16977	17738	18314	23536	19891	20369	13131	10419	15359	13845	14469	13371	16351	14014	13274	14934	16525	12501	9650	10125	15586	18307	13428	14169	13768	16591	13263	14690	11762	13955	14914	14051	15941	18239	12146	13697	18599	16579	13158	17302	33353	34001	35337	34352	36429	34170	33315	35531	32690	31888	25109	31734	30084	31269	28668	28761	33981	31895	28755	29681	28504	30011	31129	32774	32296	31002	32386	34540	27414	23649	29196	30404	28890	29098	32907	30103	29274	27406	27874	27912	30078	27094	25762	24349	29506	27140	18193	28525	26864	28504	18101	19627	20723	18683	20497	17067	17665	20365	21529	20914	21346	18105	20185	21538	12993	13268	12697	14256	13453	11729	14811	17653	14857	16477	16511	14606	13173	14929	16613	18688	13774	17576	16443	18337	15899	15492	16728	16508	15865	16686	15497	16839	14992	16303	16151	16268
C3 H2 O2 nullnullnull 6.4316387	55411	9916	36163	49944	44404	30878	1	46523	42793	23546	65412	66651	39577	38033	53544	58309	55215	49048	55897	42973	59964	41468	58934	59651	50632	54101	1	19077	34839	40835	54924	1	50324	34148	33190	41562	48105	54927	58662	51337	22944	27561	1	31034	39244	58279	54298	1	57964	33455	67248	41243	42547	66529	61908	64291	64320	63193	17684	1	29158	1	1	41368	39418	47402	27337	11995	31479	16541	35091	13822	52278	54569	48355	61814	44700	49434	20342	55454	50664	29854	22205	31850	33542	52328	30681	52189	16965	47926	61456	30874	66706	69726	25515	46570	31552	1	44423	26679	44281	32799	23731	47479	31285	31249	1	1	50117	25966	28055	45102	1	44476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
789.3543@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6928	8100	1	1	6553	7502	6673	5561	6262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5710	6720	8266	5636	9508	11142	8240	6065	8704	9007	7829	7615	6799	7374	9174	1	8194	8136	7707	6018	10336	8999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1036.7404@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11556	14742	12312	14777	13130	9889	13485	15657	14110	9858	12712	9308	13117	12697	16058	17152	14292	17971	12842	7755	1	1	10583	11940	12330	14433	8418	11009	12104	12505	10533	11636	14762	13252	10877	1	16838	13221	15574	15734	20959	15108	14423	14993	17945	19171	18534	21189	18964	11424	15705	18252	18850	20359	24882	20461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H44 N S nullnullnull 13.393004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27357	27607	38594	18204	46551	18585	25957	26840	27025	24976	27183	22282	53981	19808	25493	34401	31996	33525	29797	22811	89853	56742	803642	124126	104615	59957	41646	25891	27026	30579	26204	33448	61427	41464	38102	36649	115057	51151	149616	48213	58193	44399	263410	86797	47549	34732	257646	73894	49046	44088	100545	60287	67087	42931	4781036	59354	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.9349@0.8520001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7361	7236	19996	13040	1	1	1	1	1	1	1	1	9396	11853	7766	1	7980	7184	19496	22266	10744	11912	12532	12870	1	1	13117	13227	10595	9513	1	1	1	7825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1148.7439@0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8167	12639	13142	8113	10860	12269	10901	9799	8574	9569	10146	1	10238	12598	11864	15889	13832	13760	8310	1	1	1	1	1	8407	9915	12534	10415	1	12812	12389	10836	12467	13624	13673	15286	11894	12583	18905	17238	16701	16384	13999	15507	20053	13215	15245	20113	18515	14753	14127	14595	16726	21779	14068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.6102@0.86600006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8250	10281	7652	9595	15341	14190	1	9659	12702	11955	1	1	14340	14524	1	1	10880	11756	14977	11728	12040	12685	16816	11245	10391	17234	8242	10106	15160	17566	14019	11088	9055	11629	1	1	8523	9817	9618	10575	9412	8457	10431	11712	7990	11582	8306	8792	8316	7962	5852	7181	6356	6841	10988	6160	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
158.0251@1.5359997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51439	1	1	1	21773	60338	1	1	1	1	30439	54931	47939	1	1	16328	65015	22260	1	43931	1	36942	17393	1	1	67405	67496	50921	51293	17225	36604	43845	46446	56334	58138	59552	45202	19598	15892	69267	67105	21261	17740	25807	1	13495	1	10789	20665	11878	19456	1	20921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
799.8232@0.8429207	34234	30478	31652	34961	36848	38115	32457	33074	35618	34819	38372	37963	35821	36016	33493	32736	34861	33249	36260	35816	37045	35361	28907	27563	32513	33186	34245	34615	30248	27956	41185	42432	36508	35089	33920	33898	30162	34919	38677	38962	36787	35258	36336	35519	31951	34071	35343	32095	28072	27274	23094	24871	38625	39100	28974	28754	37264	37756	33296	29420	38313	38286	28516	26229	40137	39498	38430	38316	29350	28272	12864	13598	30532	31525	36142	38065	40612	24894	20636	21097	11408	11442	18804	18211	25793	27551	1	11038	15989	14713	16137	17403	26096	30290	20468	19836	25681	24262	34106	38841	30967	27260	40363	36117	36235	38722	30604	32882	34806	38465	36380	37248	43007	38428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1097@6.809332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71358	72333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51837	101761	99189	74491	65513	105775	1	70771	1	1	1	1	1	1	1	75404	1	1	74351	1	38360	1	97610	12161	62049	13960	67810	29943	1	1	84906	99930	1	1	1	68825	1	35580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	105599	35067	1	1	1	13713	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87193	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1029.8704@0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8323	10394	11961	1	1	6197	1	1	1	10938	12543	1	1	1	1	1	1	1	1	9303	7103	1	7874	1	1	11334	10091	10198	9571	11517	10942	1	1	12326	9089	10770	7516	1	1	9653	8179	1	1	1	6824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
583.6435@0.86147773	18379	16067	22537	18303	19138	16152	16637	21566	19962	21834	17368	19344	19489	19352	20120	15315	20098	22017	16762	15587	14801	16675	19292	14266	19592	21225	20464	21092	18664	18944	23882	22132	22611	25330	26607	25808	28241	25612	25320	26883	26439	25295	23637	26128	21445	24412	24827	23775	25527	21873	13039	11738	23307	23651	26673	26675	26267	27958	11716	10115	7595	7071	8408	8566	13884	9273	10900	13741	9868	11078	9041	11096	1	1	8665	13073	13004	13081	9899	9157	8806	9909	7405	9404	11896	11009	5976	7247	7939	9765	10010	8361	7184	1	8905	11888	8996	8293	9838	7840	11451	9605	9890	6388	10867	11321	11614	9755	10356	12133	12258	11525	10613	8694	11325	16238	19679	18502	13613	9270	16068	19288	19344	22223	18861	16585	19428	16710	17667	16269	21127	18952	15542	15946	13841	18325	20460	18598	19493	15654	17373	16606	19620	19212	19498	21687	19917	18863	21926	23043	16915	21968	20020	18027	9805	11841	21720	18595	12485	12267	17994	19980	18762	20166	7380	5758	7706	8319	7402	6931	11270	15357	7766	1	9082	9979	16494	16561	9470	8241	1	8493	8397	10081	9388	1	10002	9252	10149	11190	9063	1	10814	7726	10532	10736	10219	7481	9423	10783	10555	7620	15706	18958	9567	9573	8335	7976	7702	11070
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<none> nullnullnull 0.86300004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8280	7476	8216	8850	7355	8432	9618	10764	11901	12229	10845	12135	7810	6810	6368	1	10319	10153	10583	15892	9015	11623	8926	7760	9209	5753	11315	9420	6346	6266	5785	6589	5814	5839	1	1	1	6474	5737	1	10887	7772	6450	1	7100	8943	7986	7805	12973	13661	7277	7518	8511	9135	7621	8448	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
RITA	18790	16364	18347	15632	17164	14830	15159	16535	16752	15534	16718	17151	14539	15825	15160	17438	20591	19128	14680	15100	14420	15524	12886	12510	15478	17785	20730	18143	15211	17751	17825	18544	19652	18318	13898	11115	12892	9915	16632	18280	16252	15435	15508	14253	18651	16556	13338	14572	14311	11798	1	1	17558	17237	14247	13374	14990	14555	1	1	7163	7271	1	1	1	1	1	1	6649	1	1	1	7534	8097	8969	8857	9785	8632	7800	8873	11641	11834	10563	9715	7543	7600	8563	7792	9332	10002	7398	7732	1	1	8288	8158	8583	8205	9197	9157	8866	9401	7030	9898	8417	7588	7612	8296	7232	8187	7987	9113	8633	7449	8230	9823	7955	8836	7333	8569	1	1	7801	1	8631	8388	10388	10135	7929	9134	8534	8096	1	1	1	7477	7319	8929	1	7802	1	1	1	1	8916	8395	1	1	1	1	1	7397	1	1	7797	1	1	1	1	1	1	1	1	7600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7536	1	7113	1	1	1	1	1	6748	1	1	1	1	1	1	1
758.6811@0.8710002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8664	1	1	7079	7799	10399	1	10100	8173	1	1	1	9787	1	1	1	9301	10209	11464	1	7622	6868	7366	1	10882	10350	1	1	1	1	8055	11550	8755	1	1	6241	6527	9066	15826	8298	8916	12182	7725	9230	8713	1	10914	8716	9338	1	1	8154	6436	9986	15473	12888	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Crotonaldehyde nullnullnull 1.2820253	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57128	46712	27830	34405	78513	81555	82925	79374	38086	41854	34692	30578	48189	53253	35295	23103	43129	22459	62657	88877	151040	125383	130815	119671	135590	124041	74714	76156	83784	92756	93727	102050	64185	56511	22550	27752	77533	72358	91579	75535	69752	60448	110556	108462	44799	47991	47622	38334	48178	47537	40069	45090	36838	33195	50741	56938	11902	15204	13738	15260	14844	21866	15440	11674	11275	13420	12078	11389	15775	15448	19948	19401	14330	19472	15332	15124	13063	14236	10647	12734	14509	13725	16905	13259	11527	11853	1	1	18583	17966	23716	25788	20374	20115	22515	22214	21337	21728	15976	18149	20778	22465	15613	15997	22927	23569	52441	47902	42674	41451	43472	45139	28437	29455	60927	63601	34985	38191	65114	70964	35290	36202	41131	41753	40209	36621	69094	71552	50986	47454	41346	40978	108654	106123	53984	60193	39458	42421	49363	50976	40548	37112	58005	57948	33533	29808	53934	57150	84362	80062	62985	66912
807.68@0.8660001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15738	14911	12175	13709	10591	14182	14712	13723	15470	12991	12527	10027	20247	22970	7486	7380	10203	19506	18555	18421	13362	14416	14297	17522	12897	14546	9008	1	17680	14443	13219	11972	14973	13957	1	9057	10764	10435	9084	12028	10753	10353	11491	7301	10277	11320	9114	9152	13692	13655	8171	9317	13279	10744	12428	15360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
371.1758@9.049002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27042	29402	25207	26696	1	1	1	1	1	1	62416	59962	1	11654	1	1	1	1	52169	50996	138855	162365	159689	154363	22021	17384	85459	81634	95712	97075	72763	68560	28204	28938	120592	137613	174898	184328	30067	30310	151870	147459	47458	46886	71932	72874	1	1	52280	55618	36453	34694	32943	55362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1078.5223@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10181	10217	1	10657	9391	10972	11897	11508	13445	10864	8716	7965	9335	6091	1	5807	9141	11970	11618	13860	14818	8927	6445	10456	7158	1	8785	7820	10780	8936	1	7163	7838	1	1	1	6436	9233	9352	1	8344	1	6504	6958	7629	8763	7640	8299	8848	9693	9100	8455	8612	9105	11299	9536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glycolic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72653	75300	87989	90103	147470	141480	88187	89126	52577	49925	74310	82307	137073	135759	51254	57698	68703	75115	75961	71615	88193	97028	166213	173085	169976	178839	69916	70369	130698	131839	192635	204358	138281	134279	42528	66499	146100	142105	225752	241965	81151	81291	265336	259201	119364	120056	104656	109135	47225	46363	65530	65149	65145	65936	96205	74269	8693	25700	23505	26734	27392	28322	27338	23111	20670	20819	25511	28906	24943	25308	22782	9298	27596	24478	25154	24723	10837	14496	27725	28529	27038	25813	28289	29161	12763	12351	24956	28756	23929	26312	25663	24607	24919	25931	25148	26235	23709	13835	20818	19260	30626	30958	25000	10161	22433	22216	18095	16974	18553	16575	26320	19998	23560	21051	21092	21259	22052	18557	19658	17820	14529	19587	20269	19962	19697	16588	19711	25502	26394	24185	18210	20245	20424	17549	28228	24761	20448	17699	23805	24570	20755	17870	24493	20989	15990	16666	21986	23226	20881	19759	21938	21922
C25 H4 N O24 nullnullnull 13.394001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78115	42588	98224	97495	20302	19497	26464	46793	48193	69800	47455	25041	142578	92565	97788	101254	56401	9518	104723	1	17234	158353	1	1	1	110668	123887	89080	113623	25668	20533	49304	17442	77286	19218	73332	27181	91998	61839	95079	61975	199771	77367	170978	46509	29407	1	106733	33554	35502	37846	176213	130228	137275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
143.0206@0.97800034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	316571	301617	339700	331946	345057	332281	320977	322909	352715	354091	322690	344886	319552	327858	251903	234131	325738	329211	333736	319970	337920	345475	346166	326528	353564	343408	317499	314336	257824	5915	283341	280342	7017	6768	6551	268114	373805	7283	401677	8481	341859	353721	391513	387668	391099	398405	406272	401082	336839	340342	374693	386937	389990	383057	592046	457682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
379.8986@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22959	23246	20917	19199	19438	16109	27837	23074	24384	27381	22023	20225	24472	24569	13078	15935	24980	22159	26385	26734	20652	17862	17660	18867	21701	22047	17640	20774	32113	32108	27724	28748	21904	25611	14840	11930	25324	30573	24282	26250	21766	21215	21463	19811	18758	21979	25136	20571	23402	25484	20391	18679	24597	23903	30521	24012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1140.8914@0.8770002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6718	1	7013	12693	13808	7207	5852	1	1	1	1	17117	15045	1	1	7052	1	6353	1	1	1	11820	11575	9327	9138	1	1	14262	13515	13337	11338	13686	10537	1	1	11519	15815	12937	12625	6233	1	10502	9962	1	8515	1	1	1	1	1	7048	6882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8769999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11732	10699	13968	8080	13035	11887	14008	10965	14601	12705	11525	9594	10681	11152	7730	1	12229	11998	12511	11504	9839	10835	9525	1	12722	10688	9640	7124	14485	11510	9615	8421	9634	10902	1	8159	7290	11226	8575	11632	12310	11476	1	10262	11543	11649	11180	12050	8514	8842	12912	8559	12692	13120	11020	14349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PG(18:3(6Z,9Z,12Z)/19:1(9Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10509	8026	7893	9571	8055	7342	12172	10883	12140	10439	9571	10057	1	1	6903	7893	9411	10170	7407	10512	9680	11277	5436	6340	7351	8747	11486	7461	1	1	1	1	6064	5954	7739	6525	1	5685	7884	6660	8238	11519	6050	6930	10132	7758	11522	10440	7087	10227	11098	8264	9191	9028	7119	11575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
259.0584@0.9359855	88584	101490	87606	94343	89181	75162	81253	80002	112323	109892	85501	87938	85640	86824	60680	61837	134991	121079	93902	89807	82218	88986	77731	70219	92250	102076	92812	92734	106020	98845	94321	95309	121545	126132	115718	101755	101858	100793	70025	65298	101739	105098	69622	56653	33445	30768	53556	51311	64275	61975	27820	28972	66915	57177	94255	91357	115454	124925	1	1	1	1	9151	7656	1	1	1	1	1	1	8621	15515	1	1	1	1	10527	9584	1	1	1	1	1	1	1	1	1	9318	1	7360	1	1	1	1	1	7178	7808	9803	1	1	8264	1	1	1	1	1	1	1	1	1	1	1	9499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.6268@0.8615629	5534	1	1	1	1	1	5384	1	6056	6099	1	1	1	1	1	1	1	6368	1	1	1	1	1	1	1	1	1	1	5961	1	1	1	1	1	1	1	1	1	1	5537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8392	6871	9217	7038	11168	8119	6817	7495	9545	9869	8683	1	13233	7554	1	1	7889	1	1	11569	11693	11117	11074	12970	8048	6589	9752	6659	6561	11077	11208	6422	13330	1	9203	7322	6943	8100	8551	8213	1	8673	8070	10578	1	1	7083	1	8563	8438	7276	6764	8624	1	9652	8126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2E-hexenol	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21329	60647	44668	63070	90626	36748	29309	63700	57110	85776	61035	41751	33069	26856	105640	107727	48077	22763	36927	67772	45207	1	52052	85095	56418	87322	61920	28973	39974	37359	43485	111727	246368	37607	172352	46755	42164	61610	20336	238266	59363	56484	43511	46082	60788	34171	1	184652	1	154719	320032	52061	91732	315805	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H15 Cl2 O22 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19496	10245	21591	20964	15827	17456	18381	24229	19940	19973	22096	19639	19114	13007	34019	34562	37620	40523	21805	1	9201	9881	13722	14143	12303	16723	17085	15869	14582	16786	18817	16530	19004	16313	14569	19249	25407	21154	23917	24130	36054	37994	22738	25095	28782	32286	25835	25356	35514	36314	28570	28492	32742	31374	43686	34708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868 :87	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7674	7375	7606	10369	10083	8571	8589	9766	12386	11681	7649	7101	10910	8117	1	1	6756	6809	10033	15703	10668	11468	12115	7440	8868	9931	9726	6626	10377	9626	6775	7502	9983	8231	1	5358	7497	7880	11247	8305	8131	8405	6960	5604	7313	1	10929	8901	8657	8626	9846	7610	10272	1	9473	8899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9889@7.8015695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	119098	67565	140134	53932	1	1	159758	130125	1	54409	1	1	94434	1	1	1	1	23126	1	1	1	1	46113	14600	1	41270	1	1	1	39567	156346	165145	1	119003	1	1	128425	1	140129	1	171263	182026	163948	1	113835	176553	88542	93875	15024	1	16265	1	18524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12762	12378	12587	13996	12833	12742	15603	10645	16137	14199	10981	12844	18239	15115	1	6023	16442	15170	13119	17709	12791	17699	16171	12493	13793	16873	12710	6387	14361	9079	10466	8444	12776	12768	6668	7539	7332	10819	13936	13295	8295	14347	13626	11985	10395	7242	14424	13689	14513	10235	10684	12980	12842	12339	14220	11295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8510005 :88	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7714	11385	12977	11533	18652	19442	12411	11637	6956	10267	6153	12846	17929	18697	6899	6990	11457	8958	13685	10849	9453	12511	13869	15175	13931	15830	7534	6030	18564	16800	19998	19656	11246	12078	6678	6074	15534	14202	15795	14945	9135	11898	13266	13112	9100	8621	11996	14244	6799	1	12731	11862	8546	10858	8004	9897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.866@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34653	32847	37270	24934	41950	40754	35238	26698	28748	30708	26547	24666	32489	38283	16610	20797	23087	26252	27364	23972	34072	28727	37729	38617	39977	44346	20105	20285	26680	23483	32966	36052	35543	35552	27551	29720	38400	43596	36087	46229	25029	27817	43775	43809	35165	34693	29176	33007	23726	23641	29756	26316	29495	28383	34817	29008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.3353@0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6333	1	1	1	7195	1	1	1	1	1	7912	6994	1	1	6775	9479	7357	7343	1	1	1	1	1	1	1	6959	1	8623	1	1	1	1	1	1	7495	10441	1	7672	9497	9806	8770	8124	10513	12372	10386	9095	11179	10545	7480	8208	9523	10196	10656	8566	14627	13324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
569.8814@0.8869996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11134	8976	7487	7344	8680	1	1	1	8871	1	1	1	10951	11796	1	1	1	8359	6060	1	1	1	9255	9045	7978	9404	1	1	10919	13559	9179	11067	10063	8141	1	1	10491	10124	11161	11182	1	7318	11288	9389	9724	8489	8503	8759	1	1	10097	8514	1	8560	16181	9621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
992.8166@0.83940655	1	1	1	1	7273	1	1	1	1	1	1	1	6828	1	1	7929	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24111	23537	26760	24089	27002	26162	27057	25808	21219	23906	24294	27325	26243	28418	25591	29664	24595	23919	30513	33009	26213	28990	24692	22921	38279	36409	24063	27055	7965	7364	7658	7414	1	1	10838	10064	6138	10175	9639	11175	1	1	9943	8522	14368	19341	14540	7683	1	1	1	1	1	1	10378	10875	8879	8665	11162	10211	12575	9779	1	1	8514	14150	8477	10504	16933	18794	1	9410	9898	10336	12610	8969	17465	24159	8044	12031	11403	11159	11410	12505	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H4 N O12 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43481	41584	16695	16753	29967	27727	19499	20183	28124	27586	22950	23553	32581	30767	5961	7333	38021	35917	36352	33019	9840	14837	28566	26533	34623	31362	25941	27644	58889	58157	43769	45503	35100	35341	9782	12255	45619	41896	43327	48853	34476	36162	43289	42305	32312	39482	46713	45914	57333	55232	34484	36288	47154	49919	48960	58568	47788	47354	53478	62548	53881	59024	68018	68600	62953	64401	25775	58031	48442	51205	34582	29471	57620	55143	30525	35571	35010	35408	62022	64652	46594	47438	57672	59608	39024	40870	65771	66952	47810	46359	63734	64688	60824	58773	49632	49498	9092	7700	48801	52069	48844	51645	19419	30281	32907	36977	1	1	7345	6194	8560	8240	22303	20620	7672	9005	10920	11457	6425	7398	6508	6965	1	1	1	6113	1	1	8573	9555	7318	7419	1	1	17020	18015	1	1	1	7747	1	6600	10688	8403	11486	13415	1	1	1	1	1	1
> limit nullnullnull 0.8419995 :89	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10384	1	8241	8645	1	1	9625	12503	10489	10389	8799	10312	6514	1	17141	13942	17315	19386	11504	1	1	1	1	1	8011	1	9601	12506	1	1	7159	6992	9235	8326	7039	9325	11356	8429	10812	11396	18792	17010	13444	11717	11387	11271	12833	14448	16033	17665	11845	14628	15229	15239	16152	16933	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
878.833@0.84099966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12980	14430	10874	10806	19460	21853	13120	13893	12828	11869	14105	15914	26118	24651	20529	25274	21006	24591	12896	1	1	1	18762	16593	16732	16208	13854	16618	23290	23850	16934	22955	23194	17392	13827	15965	23879	21838	16837	21647	26829	23894	17839	22457	21099	20698	20468	21436	22240	23477	20478	18667	22132	21612	27079	24566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.9136@13.074998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	213511	1	1	1	1	1	85907	1	279704	350152	277129	1	1	1	1	1	1	1	80584	128773	1	1	69021	1	119779	139617	116381	1	1	98172	69745	1	369532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
931.8483@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16251	16836	1	1	8329	10428	8446	8521	1	1	10138	12620	1	1	15638	11257	17718	13842	12215	1	1	1	1	1	9808	13233	13285	13418	9696	9649	1	1	1	12743	1	1	9269	1	12136	16391	12876	15310	17104	9706	16355	13169	12846	16809	20378	20176	16848	20932	19713	20121	10812	17221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8790003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14249	13727	13325	6644	10843	11100	14204	15409	14315	1	12464	7856	13881	14464	8879	8894	18138	16318	1	11649	10297	7799	10855	8233	9992	13824	10864	11335	13027	12707	6668	11417	9951	11629	1	1	9455	8722	11394	1	17329	15921	1	12201	13981	12476	12603	17568	18191	19019	10963	12726	13778	16355	15359	20028	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
692.8408@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15893	20255	13989	11942	20849	20418	5283	14345	1	13270	9649	11546	18274	19642	14783	12640	17135	13799	10894	9978	12795	13236	19941	18330	17990	16350	1	11902	14827	19032	17465	13844	21969	20000	19361	14412	18471	26899	26291	27720	15140	16972	24645	24912	16154	18210	18839	18862	12776	8230	17246	14219	13671	16916	25994	21489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
56.026@1.2939999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54426	44601	1	1	1	1	1	1	66807	12830	1	1	19834	19401	26345	40192	53727	48925	49496	49629	39475	34619	34984	49929	29576	28331	22824	17908	23876	11769	1	1	38837	47834	18796	20924	17854	1	18774	24606	1	1	1	22600	1	1	1	1	15151	1	14563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
881.5299@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6521	7832	1	10140	1	6833	1	1	1	1	7489	6431	1	1	1	1	6012	12003	9084	7679	6891	1	9564	6093	1	1	1	6316	6221	5942	6366	8743	1	1	1	6454	7000	8055	5652	1	7542	6500	6463	1	5749	8383	1	1	7323	1	7130	7816	1	8892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8689998 :90	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22626	24043	25712	27431	12385	12021	41599	41373	36329	40680	50836	53658	9316	10091	25619	25618	52698	49522	35045	30294	22722	20896	10307	12275	12542	11896	47594	42872	6152	1	9233	8630	10119	9764	13853	11188	9472	10322	10663	11319	44609	40785	10567	10587	20091	22884	26078	26754	64960	67298	28226	24629	33031	30715	22673	26865	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
928.5375@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8140	8967	7259	7646	1	8209	1	7299	8240	7054	6927	1	10518	1	1	1	1	1	7483	11333	8843	8504	6338	7774	9782	1	6248	1	1	1	6775	7724	1	8546	1	1	5603	1	6465	7563	8384	1	6216	1	5820	1	6008	6998	1	1	6428	1	8173	6624	1	11217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1093.4657@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8893	7489	8460	10627	13593	9687	8370	7352	8071	8586	7545	7343	10971	7964	1	1	9214	8817	8150	8221	13111	11305	10749	9664	9563	8635	1	1	12367	8769	8555	7790	7196	7651	1	1	8241	9056	9826	7952	10036	8428	11381	11429	7773	10836	11555	11709	1	10696	9059	8669	10288	10691	14726	10816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.039@1.5629998:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34474	31003	12117	14196	31069	31685	1	1	8355	7938	1	1	56903	57512	14680	14258	1	1	15218	12874	1	1	34391	29666	48188	50036	1	1	48002	46986	44428	42492	46811	20404	1	1	29870	26963	63300	61891	1	13252	26310	26615	13944	15129	13154	15137	1	1	29205	31696	24303	25975	17306	18717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Pyruvic acid nullnullnull 0.9664632	38624	39326	43277	49602	40318	40577	52737	47278	37608	42339	29810	33282	39285	39808	50344	49793	37358	37637	39025	35169	35569	27797	64065	62727	39987	39405	45396	45920	54422	57866	15118	14241	18924	19778	20930	17500	17695	12863	18159	20067	16835	18176	17115	18523	17326	17269	22967	20787	20182	17148	1	1	19867	18619	1	12201	19909	17419	20337	23329	32182	12349	102945	108423	1	1	24041	19874	1	1	259511	13959	1	1	45617	23894	23156	25546	33313	35152	77287	70713	56192	52900	17560	15546	85487	101030	52660	57848	85633	79382	10245	28569	104646	102940	84140	81853	31644	31396	70068	68216	34152	12790	26726	30682	21148	25557	36374	27678	24966	24917	11919	46067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
226.0122@0.9000004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21394	26743	25358	26798	25303	27733	28765	28144	29913	29313	29377	25258	26349	24401	22255	20370	28207	27543	22045	21793	27151	28085	26144	25829	28085	29804	32185	29904	28970	27985	33593	35058	17917	20100	14121	20080	27545	44845	31090	34065	32615	32272	31893	45176	25354	26032	36582	32035	26858	23949	38868	38040	28023	27206	41782	35628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1229.6475@0.84899944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10574	8121	7674	10301	8799	9320	11012	8113	7976	6823	6915	8268	9925	8180	5413	1	8863	8456	9109	7598	1	1	1	1	1	7752	7688	6168	9415	8389	11378	15206	9197	10623	7937	10071	14950	15993	14364	10676	9742	7713	11771	12238	11005	8550	11157	12126	8142	1	9244	6669	7821	7936	7281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
325.1386@1.1790004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5639	1	8155	9284	1	1	5757	1	6339	6834	5679	1	6192	1	1	1	5967	1	1	1	1	6903	1	1	6173	6785	6743	6155	1	1	1	6418	1	1	1	1	1	7416	7501	8361	1	6074	1	1	8537	8944	7881	8482	1	1	1	1	5949	6375	1	9695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
427.0286@1.1690001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24256	22676	22097	19646	43415	44040	1	1	1	1	1	1	184523	191085	1	1	1	1	1	1	24087	24816	68332	64504	29967	28838	1	1	68917	78403	40513	38217	126395	128891	1	1	107129	96198	43281	46522	1	1	24896	26967	23014	24298	29270	29814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1233.6298@0.8510002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6441	10410	7523	7175	11065	9625	8139	9685	11013	10344	1	8028	11242	1	5654	6264	8245	7712	8706	1	1	1	1	1	9172	8479	9997	1	9570	12320	13853	9495	10483	10352	7008	6761	9463	9275	10817	11492	1	9904	8525	7275	11145	8511	8552	10864	1	1	7413	10263	6816	10396	7672	8217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.897002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56267	59250	60732	44748	44075	54655	48361	1	59822	51651	53790	42876	32808	50693	26669	1	1	29931	1	38644	11919	14001	1	1	16072	10430	23824	1	36272	31804	1	38528	19444	38809	21955	21912	31276	8654	31559	26526	22744	1	1	33980	25349	27512	1	32716	1	41566	14775	32156	20058	21974	1	26732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.0333@1.252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8808	8821	1	1	1	11662	6399	1	1	1	1	1	1	1	7010	1	7323	1	1	1	9484	11487	9489	8090	1	7746	1	1	9532	10119	9504	9467	8346	8447	1	1	9367	9865	8062	8192	7242	7536	13281	9916	10634	9794	9347	11480	1	1	6652	8401	8851	10509	13367	10493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H17 N O3 nullnullnull 1.1090003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16410	16435	15372	18826	23283	23156	15171	13650	17323	23515	1	1	29717	31313	8602	8401	11862	12265	10535	10685	18795	20317	19874	22215	22024	22901	1	1	27607	29238	16645	19180	23780	22477	7185	1	28455	25917	27938	28557	14843	14922	15655	13663	26826	27772	29852	26836	1	1	21399	22089	13676	10939	23970	23801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H30 O3 S nullnullnull 11.25402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57978	51149	45496	45496	55248	53010	50863	52992	45799	53083	48247	46159	44676	53882	28208	28490	34449	44482	36922	24204	35656	27591	97172	23778	34632	20975	32305	24123	20273	20850	22929	27680	28373	24029	24807	23034	28162	27545	33632	27848	38625	27592	28173	24933	21230	39099	55763	23815	30279	26287	28980	27391	23362	25946	181457	25364	42106	25212	45592	47951	30639	39216	33692	33131	31670	33633	46837	32119	40868	33925	25701	38815	37538	30718	40791	28024	31304	32133	39575	27028	34425	30526	35113	32975	46638	28416	27721	36406	33676	33400	32654	29711	34498	37580	39871	30412	34673	44427	35153	54838	34607	29285	14595	25107	41868	39736	290238	267857	156350	209813	180908	173115	310543	73599	68632	215037	243551	214679	144225	265472	475799	450564	228372	477295	140033	161017	292245	168842	176053	210316	231951	282244	172407	295074	184142	183672	261927	207487	212555	151061	188589	211327	177776	203831	275689	104985	171849	148635	317577	206924	259952	163445
> limit nullnullnull 12.249002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60341	41249	62327	34126	55275	80069	63442	60074	111956	73499	62943	78289	78519	58118	39286	29272	40601	34082	42064	23966	39382	29634	46798	43865	41948	26698	37073	43951	37219	40390	33190	48259	31249	37992	33917	97049	48471	47952	34076	36787	54674	38247	61643	47379	39761	38773	46828	40559	43511	37750	30244	44685	36974	40492	80235	55489	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
226.0056@0.8909998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1116153	1125822	1164207	1196657	2873102	2880200	825811	796029	717469	720000	392699	378995	2992332	3001983	705646	697139	505713	505776	777947	624684	980621	1030513	2452785	2521590	2009972	2119477	365642	364699	3485840	3502717	3009650	3131830	2672728	2708286	1207553	1293066	3414438	3425523	2766096	2804260	865920	862533	2466352	2420575	1487369	1462068	1251621	1189586	292039	280634	1155752	1206084	1091293	1071699	1463822	1419792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
542.8079@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14641	11118	11304	14407	14266	14676	16126	10890	12031	15645	12524	9391	13406	18080	7043	6042	10987	10909	13815	14994	14559	12747	13295	10445	13345	12159	11883	9770	11984	14929	8597	14679	13579	11564	7065	6513	12217	13991	14075	12975	11022	10635	10468	12595	12765	12169	14126	11956	10445	9195	9638	7128	12427	12330	14791	14096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
266.0273@0.89900005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7346	7653	6478	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8765	6559	8784	8023	6508	6844	1	1	1	6169	6604	7186	1	1	9587	8227	1	1	1	6000	1	1	6939	7934	1	1	7535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
710.8771@0.8460002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9959	9264	1	1	8730	8476	1	1	1	1	7565	7023	11383	9796	1	1	1	1	1	1	1	1	15027	12991	11561	13573	8295	5922	10674	11918	10465	9498	10001	9861	1	1	10526	8465	11014	11524	1	1	6248	6243	1	1	1	1	1	1	1	7191	1	1	1	6899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.4724@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10530	6242	7890	10291	11479	12543	9058	1	8482	10004	6588	6759	14067	12214	1	1	8954	7499	6778	9272	11011	15768	11603	13320	14437	11385	1	1	6004	10267	8959	8481	12085	6483	1	1	9214	7517	9602	9210	1	8612	9517	9388	7852	6695	9381	6099	1	8235	8161	6709	6474	9544	9424	13325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1344.6976@0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7867	1	1	6427	1	1	9361	7519	8945	9303	1	6104	1	1	13042	10745	11495	10270	10256	1	1	1	1	1	1	1	1	5650	7638	1	8892	10554	8961	13014	8098	10664	14116	1	12480	10127	10296	11657	9928	9703	11661	10140	11442	11089	9866	12676	12708	11160	7917	13711	14100	8550	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.3309965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66290	51444	27777	33959	45213	62845	39476	34367	32106	29532	29087	17741	32572	57154	29840	25042	1	1	23468	21109	31805	20114	26823	33728	23270	25880	30861	1	17738	1	26329	1	26110	26136	27185	20259	13466	1	18839	1	25441	1	19589	34597	28906	1	25417	1	29686	1	34626	30885	20568	1	80679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.933@0.8880003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8419	1	1	15742	14831	1	1	1	1	1	1	19414	19762	1	1	1	6294	6865	1	1	1	13055	13491	14308	12552	1	1	15679	16081	15733	16652	17599	18528	8107	10353	17424	20332	19648	15154	1	1	11747	11473	8139	8005	17046	8551	1	9047	6952	1	10905	8206	6975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.87146544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7265	11166	13454	7400	10458	8128	11326	13278	11056	9655	1	8625	15518	15916	1	6760	9480	9787	9140	12862	13006	10906	12147	10061	11930	12409	7893	1	7691	12311	9674	11229	13681	9024	1	1	12451	8003	9137	7012	11559	6842	6745	11046	10456	12051	8991	10062	8605	7504	10678	8095	9595	10748	10236	13619	1	7088	1	8454	1	1	10413	8460	1	1	9802	1	7747	1	1	1	1	1	1	1	8908	8976	8407	1	1	1	11378	10227	1	1	8138	8495	1	1	1	1	1	1	1	1	6588	1	1	1	7052	9063	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6140	1	7041	1	1	1	1	1	1	1	1	1	7643	1	1	1	1	7563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
176.9923@0.7919999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29126	28797	14360	27786	30217	17859	18976	23797	22861	36406	22405	20643	23349	20589	26584	22700	27864	31226	28085	16338	12403	13286	115556	120212	16382	18626	19948	22772	24011	17033	10404	19951	18107	28873	6358	22100	32758	27183	25195	24422	34618	28229	31994	36519	30961	31591	39352	30635	33811	37666	27881	26153	35072	27516	33410	41357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.078@4.2050014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72990	1	1	1	1	1	1	1	1	1	70891	50704	28540	1	28718	1	1	1	45546	154476	214063	158798	48561	316668	87255	34575	1	1	1	1	47473	1	1	1	1	1	49066	49296	43606	40493	64940	101888	100563	35442	27631	111511	63538	1	177881	54371	1	1	19578	59105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
934.3878@0.87074107	13263	12278	13311	12312	8653	7310	12919	13053	14786	13987	11156	9153	12047	9452	10194	11659	14078	11471	9974	10571	7414	8750	13662	14366	11927	11790	13270	11293	13773	15170	7045	1	1	1	1	1	5935	1	7043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6599	6088	1	1	1	6666	6580	7223	6721	5737	5799	7819	7439	7841	7258	1	6886	1	1	1	1	8008	7075	6934	1	7324	8729	6237	5916	6296	5959	1	1	8494	9925	7550	6408	1	1	6188	1	6586	1	6299	5598	5667	7763	8559	6398	7507	7297	9110	8674	1	1	6754	6324	6893	8982	5736	5755	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
383.7302@0.8707445	23149	19432	22197	25218	26737	25114	18853	21531	24985	22178	23198	22071	24581	26125	18849	20940	19313	19313	21388	22740	24360	25816	18007	17985	22595	21685	18270	23534	20540	22320	51938	46834	49233	46829	51382	49824	51305	51144	47760	47778	48753	48349	54356	53374	44177	48783	44910	47727	51952	53763	29764	29373	44390	41523	62035	67358	38894	44643	10078	9184	10835	9853	7780	7758	14562	15728	15020	13666	18314	17915	8862	8979	9819	9003	16898	17821	12666	11245	8870	8950	8460	7387	9499	7768	16140	15790	6392	7962	7676	7795	7224	8994	6675	6030	8458	8882	8735	8442	15969	16763	6779	7179	9795	9247	10686	10758	22695	24219	10695	11358	12931	11566	10658	11214	35284	33966	38462	40728	20439	20132	40215	35156	47741	50282	36166	39854	35362	38267	34695	34212	32987	37483	37061	36109	35520	36974	37266	41496	36256	34495	37844	34401	38739	36191	43010	45379	40977	40436	48698	52402	39275	39000	43293	42595	19257	17999	48439	51714	15407	15763	33334	33408	50931	46881	21799	20695	24072	22393	17113	20469	47671	45327	18080	14128	24141	24924	39435	37817	27938	27081	23976	22296	28662	29666	16855	16434	10914	12649	24325	25865	15676	16165	14722	14409	29775	29302	15950	13531	27990	27557	18562	18033	55512	57808	21302	18896	15544	12809	16552	16956
975.9353@0.8850001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8679	7816	1	17192	16439	1	8124	1	8864	1	1	18085	17966	9258	1	11224	1	1	1	1	9533	15014	13664	13502	13842	1	8084	14346	15424	15807	20207	17566	17661	1	1	20803	19941	19050	20825	10665	8468	17160	16791	10835	11553	11511	11766	10933	1	1	1	11112	10469	16586	13754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1155.711@0.8450001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9340	8486	10416	6618	8768	10975	10594	7968	11775	7225	10144	10798	1	8139	12321	12483	10062	11187	12969	1	1	1	1	1	1	1	11636	6753	7468	7895	8381	10704	12295	10304	13243	11814	13174	11234	11869	15469	14200	9827	13926	13059	12071	16899	14420	13371	9739	12634	12715	9183	11136	11267	11328	12103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.87599975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18224	16403	13963	16996	14983	16110	15450	14229	13820	15189	17212	19950	22700	24363	20381	20467	16249	15821	12563	1	14500	16685	22796	23085	19392	17197	11906	15903	21799	23696	21148	20394	19654	19310	18980	20223	21440	23658	20763	21348	17900	18184	20020	20436	19918	21857	18045	19458	15570	17786	21716	20541	18191	16031	21689	16918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.0034@1.1082324	40317	40628	44825	47767	43989	42428	44140	45688	45360	44951	36131	32444	41162	37531	40417	38713	39667	37308	39991	38325	26311	27874	52963	55673	43532	43566	35892	38937	41184	42914	14196	13869	25041	25610	11962	15322	1	1	1	1	10495	13922	14387	18558	24234	22552	8993	14328	9635	9947	1	1	16762	18981	1	1	28840	23014	12555	9188	11990	13088	38147	42614	30029	32374	1	1	10028	7945	35771	32976	1	1	19934	22573	37693	41594	38160	43016	33828	35526	45925	54320	46094	47736	39481	38524	31592	32737	38303	37229	1	10612	38817	39185	64033	64982	47276	48844	77127	73911	27766	29399	21200	20531	14029	10883	14112	12857	1	1	20111	20664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
734.8455@0.84047467	12051	21732	18730	15117	25600	22934	18436	13691	16023	17348	21914	24592	23691	23146	18235	20710	17852	17398	18586	20051	29751	24765	14752	10519	21224	20398	21552	23030	8882	16004	37779	37926	36662	39342	38131	31044	37225	31846	35116	36093	34551	34133	36724	32464	39597	37093	36586	34992	31452	34924	26531	23123	37496	36388	35862	36086	40152	38159	27614	29307	22808	28177	18407	20834	26635	27210	29477	27482	27264	30882	19623	18368	33727	32688	40166	39510	32211	11900	14050	12478	15826	18706	21232	23501	24465	28188	13004	16048	18557	15161	21718	16586	17431	14050	21687	18998	20816	23606	37247	42095	27346	20001	33922	32236	30205	35065	34317	40546	35491	32377	37351	35006	40093	32810	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.141@9.061998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	128591	1	1	1	1	38694	1	1	1	1	1	1	1	1	1	1	1	1	184191	41644	1	1	1	1	48386	44427	53482	44457	127193	1	114018	1	38114	34142	808351	36351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H15 N10 O6 nullnullnull 0.9799996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10702	9122	11828	9961	23557	22111	9406	8443	8704	8843	1	1	24328	24852	1	1	6808	1	9716	9134	12633	13462	18788	20492	20142	18107	1	1	23343	22222	19949	19013	21433	19905	6985	9499	27073	26683	23183	21866	7563	8811	19773	21616	12318	12980	13542	13115	1	1	11122	10124	13745	11656	18188	14228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
244.0253@1.0960002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8717	1	1	12773	13937	1	20429	1	1	1	1	35735	37615	14086	1	1	1	1	27422	1	1	11479	10465	8377	10380	1	1	37347	35075	15269	11615	17407	15095	1	1	14336	14618	7645	8772	27386	1	10886	9684	1	22137	7535	1	1	1	1	1	1	13737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85300034 :91	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14045	1	13378	9872	24390	12912	9886	9067	11429	7876	9837	9795	22452	22038	7270	5511	12597	7522	10975	13737	8213	11419	13825	15318	16807	14007	6643	9986	19785	15854	16636	18984	12341	15530	6599	7044	15745	12384	14137	14614	8611	7873	13009	19398	11712	8057	1	8205	11066	6803	8846	7462	12680	1	11947	12170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H8 N7 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35385	37009	22488	23608	21589	19469	24766	22244	25837	24825	12305	12404	17186	16804	20865	17624	31791	29223	29336	28667	20545	22010	1	1	15011	15102	12050	12456	12133	14075	18426	14514	12609	12699	10267	9415	14330	16467	17100	18179	34883	30982	24114	25977	19767	19180	23371	20410	17705	17726	33663	32053	26350	28584	25492	26359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
286.9497@0.90074265	44760	44687	46148	50189	34826	34995	51474	51250	49259	44359	36358	40980	55146	51482	37466	52173	38176	47879	53483	53231	27527	34997	43122	44624	41093	45136	37045	36558	53534	53694	1	1	10596	10508	1	1	19432	13755	24770	22521	1	1	1	1	1	1	12421	16916	1	1	1	10064	15856	17320	1	1	1	7100	1	1	10008	1	18372	18265	1	1	1	1	12058	11587	21417	23376	1	1	1	1	1	1	9681	10023	19888	20167	15894	17621	12265	12394	18341	17344	15076	17733	21506	20584	8992	1	16627	17533	18479	18683	1	1	14054	12657	1	1	1	1	1	1	1	1	1	1	10623	1	15351	15711	22603	22766	9872	13267	17408	16444	11231	9187	22067	20617	17484	19158	22157	22599	18724	15695	24283	24237	18859	20135	19400	18841	23187	21710	27066	26565	22369	19633	16674	13661	22670	20494	13373	13940	23526	24781	13601	13721	14347	14419	11664	13065	20152	22084	23353	23248	11255	14706	7113	6396	7795	7851	7217	8828	7841	1	9126	10555	11849	8050	13334	15884	11138	9842	10938	12292	6678	6458	14272	16003	12075	11310	9133	9804	12414	13361	12516	12833	9728	10062	10170	10267	8717	9658	11345	12170	9070	7295	11153	10438	14882	12555	11999	11813
256.8292@0.8955785	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23935	21486	22981	24143	25634	25327	25288	28785	26588	27292	22650	22042	16247	15842	70623	68907	53082	52704	58532	70110	56742	56259	20042	19101	37327	32817	41218	43168	14410	13876	20149	20732	26091	22716	37165	66969	37732	33767	38121	38959	49427	49189	41662	39800	35406	34160	37596	37714	53370	52038	33906	35257	39619	39069	16449	34767	54426	57629	54834	54476	78068	82337	54594	48748	45956	43280	41148	41964	49268	48430	38271	34324	43038	45446	34548	35609	42940	41965	43907	42748	36583	33476	38254	39821	36049	39045	60142	59014	44564	46084	63119	64304	45465	43904	51390	54057	40802	41082	46428	47062	72559	78020	32497	30234	42946	49700	73987	74476	78042	75964	57959	65605	59258	66766	65465	67537	74327	71136	45412	49111	71118	70409	109896	105385	66823	64467	94957	94884	74873	79024	93231	94092	83438	76949	79627	80638	74198	77436	83770	79446	62148	62795	99566	99984	35807	34460	89244	89719	78536	78613	68325	68939
> limit nullnullnull 12.138999 :92	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34205	28153	32294	32623	23608	30828	37963	35654	36546	31301	41209	32817	45256	38877	23148	22294	23072	18240	18773	18867	25121	24440	46267	27604	24195	12392	22399	22631	20444	20123	17304	19142	50924	20065	20671	48120	27580	21853	27512	21645	20148	23231	32268	26941	20717	48820	36662	22713	26628	20113	26988	27501	22551	20398	50014	50620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0284@1.42	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	80150	76449	1	17764	17121	1	1	1	1	1	1	1	1	1	14643	1	1	29191	1	1	58154	1	1	1	1	1	75838	1	1	1	1	1	106188	1	92322	1	25535	27994	1	71416	1	1	1	16973	14369	1	17656	1	21770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
966.3362@0.85200006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8981	1	8173	8192	6516	9495	1	1	9997	1	8590	10965	7636	8074	11149	8391	16068	12541	8931	6491	1	1	9208	7513	9063	11045	11086	8796	7686	1	9678	7125	11365	7707	1	8930	10782	9772	11317	13038	11966	12829	12052	11134	9303	10468	10570	13435	17163	16072	9836	13054	13590	12632	18410	14658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
104.0474@1.665422	59890	55493	76918	76830	51552	55320	69499	78851	76472	72406	44535	46928	61639	64016	48343	56650	54289	61872	63699	57446	32187	35074	77471	64446	52630	58562	54316	56380	78743	74371	23146	15850	39567	38157	38366	27241	37467	25835	34655	50854	34577	34298	27300	30805	22175	27442	36577	38925	19755	25891	17982	32421	40910	35162	36484	23998	33875	37272	29424	34434	18673	16698	24298	22341	21698	20893	24944	27572	26114	17773	26687	24621	1	1	1	1	1	1	12795	15379	14968	16015	15686	19223	1	1	23767	14038	26551	20112	12902	15554	1	1	22483	1	17069	16015	31086	22402	16753	18779	16884	15003	15569	1	1	1	18482	19978	1	1	1	14739	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
tridecanal nullnullnull 11.269506	289310	1	1	107124	1	1	1	1	300159	1	1	1	1	1	1	1	355142	1	156593	1	1	1	1	208091	357771	1	1	184091	1	139257	1	1	1	1	1	1	1	1	1	1	1	400414	1	1	1	1	1	1	1	1	1	463141	23609	168783	1	1	1	1	123853	241505	68098	279851	97720	68498	96873	132407	213151	97327	197919	39860	131305	74637	126544	283143	135553	293006	322291	256129	256318	333217	202960	151598	1	309053	1	331164	277896	289602	134354	112340	317869	290774	221579	147933	157247	147375	158796	74352	408220	151606	47947	337892	141745	163093	130951	381887	406061	181426	134270	310891	171414	99603	4312376	110972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
566.7698@0.8639999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8491	9999	1	9116	8072	9195	6812	8520	9771	9936	8940	9710	11762	9164	1	1	8002	10115	9794	12232	10417	10714	8799	10597	10657	8235	1	1	9661	10424	9315	6608	8178	9989	1	1	7630	9996	7770	7181	1	6887	8175	8140	9554	6722	8465	9472	8102	1	1	10086	7814	10846	8662	7677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1103.5754@0.8650002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11756	10929	9846	1	11106	8163	9666	10621	13139	12201	1	1	14925	15133	1	1	16058	13456	12235	14255	12253	10619	8666	8531	10807	10896	11154	1	15515	12681	10250	10334	14103	11766	1	1	8613	10501	8598	10772	10069	13898	11534	8422	10748	1	10026	8710	14735	11183	13476	9239	10240	9131	13126	13164	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H11 N2 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17201	15421	22918	14862	1099187	1061784	273906	273381	16549	19223	37782	36126	51476	48390	361437	15235	13509	12287	297350	348657	409047	13732	50940	1424894	38661	1269577	35229	34260	1831315	31396	1473926	35784	52502	2032211	603566	19765	50127	44431	48394	48790	363014	351423	1332805	23166	15064	14744	21797	12433	22795	26875	21708	21164	19069	18745	27089	23670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C6 H4 O11 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	335982	336221	55071	1	341119	326529	45781	225825	336636	87538	333215	223669	343224	181309	1	130611	205166	133078	145712	50490	133837	119009	1	1	1	116673	176794	1	1	81797	1	1	1	1	1	107029	1	68218	111805	1	102184	100121	184148	174798	121958	62529	73270	59707	128616	182754	97275	92987	129203	104022	1	131919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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711.9156@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20279	20419	1	1	1	1	1	1	1	1	16842	19649	1	8531	13547	8778	10460	11728	12657	7601	1	6686	8209	1	1	6547	20431	17937	10052	1	10139	1	1	1	1	1	1	1	8490	1	1	1	1	1	15551	13736	9703	12134	19887	18286	14798	17830	18701	21394	1	15483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5895	8972	9274	7563	8354	7408	6206	8821	8248	7974	1	7214	1	1	1	5872	1	5765	8860	9153	10533	9458	7309	5800	8341	7899	7256	1	1	1	1	1	1	1	1	1	1	1	5905	1	6942	8093	1	5653	6444	5772	6459	6067	6954	1	6188	7571	8728	6955	7679	5927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84099966 :94	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18181	13084	18846	17833	16988	14576	13365	15089	11100	18625	13556	16438	15426	16097	27317	27090	22618	20354	16394	1	1	1	11655	11342	15795	16140	11680	12902	10733	13377	15052	13667	18966	18601	16263	22464	15614	18974	22825	24031	30158	26265	23849	25841	30158	27553	23469	28144	23308	21491	28101	26962	24474	28860	38490	37518	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
189.0392@1.2070003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9520	1	1	1	12695	11839	1	1	1	1	11316	1	7428	1	1	1	1	1	1	1	1	8128	6316	8078	7093	10670	1	1	8169	11321	8278	10406	7214	7112	1	1	9895	13255	12081	8081	1	1	19165	13971	1	1	1	1	1	1	1	1	1	1	8452	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
122.0368@6.2918143	28314	30796	30928	34169	31103	26131	21616	19103	23590	1	1	19291	1	1	18781	1	21442	16723	18744	16822	16466	20570	21214	38436	44778	49748	50448	51643	40113	52944	44918	43196	34651	43578	33802	45173	37379	30944	44133	40764	40223	43436	40392	48966	31753	36846	34647	49594	51724	59044	55941	59112	79364	94327	63646	69907	78394	83717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9803	1	1	1	1	1	1	1	1	1	11135	12874	1	1	1	1	1	1	1	1	18713	17337	35385	34404	31361	31608	31221	24942	37087	18116	30444	31569	23334	35748	24527	25262	26381	33204	28442	33513	97526	45672	61094	68193	38083	47010	42957	42248	37750	39090	36984	44448	38640	43775	51881	56288	36014	38613	37929	45762	52228	50847	42134	39580	49238	52073	42460	43445	42550	44715	39754	48256	45743	42278	43691	40126	39852	41373	49143	53730	42493	43125	52468	47989	44348	44961	50803	47375	42881	47147	47719	43339	47077	51046	47136	43163	47676	45567	36110	40143	47472	47240	51195	49201	53584	47322	100584	95743	82329	91890	90396	96261	96004	97735	90180	99139	81990	94579	89012	89591	81992	87111	95439	97810	95309	81741	90495	90402	88669	87676	94656	95838	91193	88087	91189	88738	85521	97956
Apigenin 7,4'-diglucuronide nullnullnull 11.3169985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62898	78016	129993	114034	142315	71892	118068	134392	108774	131787	139481	117340	133382	131392	80171	64594	72673	59407	90364	66841	78534	95155	97760	78281	58391	73858	90202	88624	77545	76477	100807	26737	282020	71776	69817	93657	75362	66121	45069	70976	107274	70021	49002	356674	70851	164780	76854	69846	17550	75820	44717	87302	58749	92719	125913	57991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
235.0132@1.0603169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10295	12775	1	1	1	1	1	1	29887	29387	1	1	9210	10121	1	1	12233	14580	12250	10953	7002	7445	6430	1	18732	20062	11718	11558	16089	20362	8101	1	20250	17424	13442	17005	14071	8052	9132	8435	1	7271	9903	1	1	1	1	1	1	1	1	1	13362	13011	1	1	13392	9611	8297	7220	1	8906	13185	13308	1	1	8257	8459	17635	16318	9456	7318	10739	10815	24614	25364	19006	19809	15649	9198	11861	12757	10783	10358	7801	7487	1	1	1	8072	9997	8042	8249	7376	1	1	9669	10126	16404	16732	1	1	162429	149984	70048	73873	139098	136997	36670	33321	135284	134788	237483	236505	191447	200828	222241	225987	169208	171876	188360	192588	427211	432442	184546	194661	199202	192341	452198	456748	192797	185745	94833	103629	210003	216638	181090	182598	481041	472475	94219	99348	456563	459211	529440	530894	295066	297563
> limit nullnullnull 0.8630001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10756	11223	11032	16732	11113	14126	8891	8708	1	11233	8479	8518	23093	13857	1	1	8434	8190	6799	9833	9413	10380	15865	13225	13686	7841	6708	9131	13501	14732	15274	15726	11093	13127	1	8039	16455	8823	15273	11296	1	8350	12451	10279	11807	10519	8505	9094	1	1	14497	1	8995	1	13885	17028	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1037.4025@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6098	8564	1	7666	6963	1	1	1	1	1	1	5630	6232	1	1	1	1	1	1	7065	6853	8176	7735	9847	9953	1	6643	1	1	6420	6002	1	8174	1	1	6432	6944	7906	6129	7037	1	9164	9088	1	6103	7227	7632	1	1	7996	6478	6413	1	1	5821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.6313@13.673003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8476	1	1	1	19553	12141	8014	20660	30538	1	1	1	18859	1	76250	85439	100581	1	81801	1	61905	1	656414	1	1	67939	1	1	1	1	1	1	77582	1	85726	72939	29386	169974	74329	1	1	1	90920	39031	98207	147894	1	1	48676	209558	1	35660	1	1	83378	53321	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
397.8978@0.8383537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99772	98570	108035	105481	43572	49041	136788	134721	127879	132726	129722	122544	15626	17163	99087	96705	140188	144108	133777	134415	89059	94395	26409	29735	45026	50045	124083	122156	15246	19489	20525	22484	26757	25000	65040	54404	33671	29953	40490	42088	127455	126035	54099	54164	92440	90815	102791	102339	160186	160682	94043	96526	116653	116382	119290	106195	18018	18412	19849	12961	15760	18954	17238	19658	16683	20130	14816	17357	16120	22147	18709	15516	13763	15190	15263	20626	20556	20002	18587	16876	18180	21305	14654	12963	18828	19189	9758	13217	16255	14627	16655	10895	15210	12561	13219	14440	16403	14914	12206	17224	17210	13425	9915	18023	12712	13759	8322	7675	8713	10883	7937	8391	9728	8750	11679	7778	7298	9128	8936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
845.5628@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9962	10414	6181	1	1	1	1	1	6880	1	1	1	1	1	6542	8548	10783	7756	1	7261	9990	10155	1	1	7843	7402	7580	10132	11267	8623	1	1	5696	10455	5845	8216	1	1	7237	9941	7014	1	1	1	1	1	6867	1	1	1	1	7240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
999.4461@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9768	9089	7068	1	14472	11260	7789	1	6784	6390	1	1	9962	9112	1	1	1	1	7126	10135	9986	9403	9626	8704	8995	13083	8233	7319	1	8068	8970	7265	9472	10298	6372	1	7331	8754	7048	11469	7502	7420	10640	10636	9272	7184	6298	9611	1	1	8718	6850	7356	5967	7871	9031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
813.812@0.8440005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27432	31168	34762	32694	25823	19930	31382	31274	31307	33643	24978	25916	22256	20196	30584	27758	18511	37463	32481	19644	16091	18561	21290	14941	21063	22541	22144	24025	16392	16728	18701	23831	23532	22681	32237	36302	29373	26847	35894	23592	40425	35176	35256	39780	43145	35138	34407	35596	26222	28415	29446	27834	29069	36377	53430	39108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hydroxyibuprofen nullnullnull 8.04378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85024	72346	169151	176332	62441	58847	114036	113111	40132	39009	139241	135122	86913	73977	207993	191759	114147	115112	112187	99664	223236	200544	334957	244096	213056	193105	183845	172638	62227	66793	83212	92672	75686	67542	186117	174667	144931	115409	169457	151245	177122	163719	224486	185441	143031	148747	195515	163028	65814	65640	309701	310002	185686	164844	249801	185340	152568	133097	171648	157661	184956	143192	139949	124520	82409	92201	98629	100994	85034	75130	114783	114013	87819	81934	110243	118626	111485	141990	92180	162746	44439	44323	39519	42859	43205	47540	117304	105845	68334	62596	46084	38711	131750	117991	72944	66162	296525	322562	76032	71184	136691	131402	75172	86631	112613	105225	62993	74618	64920	57866	43376	60891	43181	41806	111769	103132	115985	95851	171952	175113	65109	56794	34569	30764	41874	45564	86505	73166	137026	139000	129643	123275	41671	19476	34013	41819	87171	79798	79392	81240	50331	43723	99311	45653	21941	26650	24760	21600	43986	41858	61303	34847
C19 H24 N2 O22 nullnullnull 11.52	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26231	30066	28879	30794	30302	13650	35334	39678	27763	34937	35465	32782	31627	27904	21431	19427	19723	55202	18978	22298	16014	22031	25175	29054	20041	1	20073	21039	21029	19980	18210	1	22907	19177	19676	21924	18746	20668	25896	23808	19750	20297	16556	51611	19862	20659	26295	19443	19816	15185	20475	17341	20252	20340	161645	37725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1058.4282@0.86000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7596	6686	1	7909	10763	9647	7807	1	6842	1	6652	1	8762	1	7956	6686	8554	9953	8136	6244	8607	1	9324	6739	6578	8035	1	6434	10955	7864	1	9981	9210	8155	1	1	9003	8318	8469	1	8958	8394	1	7558	9831	8722	7944	1	9501	10614	6669	9857	8175	7039	10881	7070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(22:2(13Z,16Z)/17:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9272	11259	9533	7460	9534	10760	8619	11869	10712	9231	8148	1	10252	13948	1	1	8441	11010	10924	9996	14027	10011	11036	13448	10228	10336	8391	1	12962	10528	10736	8757	10488	8657	6628	1	10333	11226	12106	9528	8154	8152	10992	9176	8312	8759	10623	8589	8192	9039	8816	7570	8375	12163	11970	11516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.847443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29293	31938	29943	30724	29594	24849	34551	29443	32124	34278	28066	32580	23384	30639	18857	19863	25055	15169	15016	14649	49251	56488	1	1	1	73440	20925	69192	15881	18601	78224	23533	28867	87702	40490	17627	1	12557	51368	108549	45455	21367	20292	24879	30416	24662	1	25699	15442	51026	63901	21254	21824	25201	1	15296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(6S)-dehydrovomifoliol nullnullnull 8.194683	605555	560100	202616	219136	180204	180017	211822	184786	250678	233507	286588	298886	606201	448585	708456	669490	691851	454433	448813	352331	306996	372011	206419	215962	139978	134417	158121	150602	150649	141419	173805	180246	231724	255483	166608	161762	249550	252608	242462	217795	351977	356648	189961	187056	111031	111517	309388	275571	25471	27811	183390	185740	410142	341346	34211	34700	327721	328631	213742	212891	370357	370387	159062	132770	219155	223868	88197	88645	244115	252769	320853	274021	401245	368647	278204	276536	262830	253889	574778	575369	1261770	787530	709058	691421	424957	409667	238208	249523	320408	335083	265992	259255	315454	315780	438040	391073	710248	595409	490653	487752	663867	596246	376797	385515	575997	513426	205774	200985	748376	707054	398550	390420	490027	499782	343235	347958	385237	383873	410542	400281	336634	337105	202730	214160	274261	259082	222109	217315	260237	262472	190823	197936	324354	320853	378584	372604	428215	433717	140797	142599	128230	129834	148182	142361	319732	301411	178298	168606	104735	110337	357301	362582	192388	191094	747477	754247	174346	173906	370758	382428	182897	178883	249329	253743	124165	143340	138991	140324	170030	170986	96249	93255	276675	270217	239847	233442	468196	451122	92460	92127	64822	62790	94196	94347	277370	257487	407390	405202	236588	241939	130303	135155	123721	124833	179790	203450	249712	224025	91900	94192	331635	201510	52866	59631	128464	113267	73904	106965	199794	190855
1093.8337@0.8739999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9180	8838	1	1	1	8516	1	1	11885	13904	1	1	1	1	1	1	1	1	7598	1	8751	9722	1	1	1	7105	10822	11503	1	12174	1	1	11376	11720	12120	15241	1	1	9702	9812	1	1	1	7793	1	8350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
111.9726@1.0849993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	204436	237921	205204	94381	91053	57886	247079	188590	175892	90439	189790	172186	96847	48072	42089	56142	66745	191955	215373	88231	66835	87421	28217	118279	188199	115320	93913	76006	105663	133308	37414	46583	45346	56902	568762	311952	79228	57659	104437	140469	102280	261654	66112	124976	97794	93464	247797	262891	263293	284973	104491	110006	97789	197720	25123	64621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
195.9957@1.2890004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14064	14490	11787	8917	18495	18076	24971	22294	16243	11752	10992	11142	1	1	1	10227	14178	19233	24825	13468	19886	11566	1	1	1	23051	16979	16284	15113	13635	18894	17736	1	1	1	1	16477	16496	21200	13572	25146	25726	19419	30117	1	16288	13058	1	15701	18360	1	1	1	1	13233	12664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
206.0955@4.531445	38421	11762	24688	25098	14099	13987	15020	28341	18724	23445	20750	12224	29740	6853	47110	49660	16842	30284	25263	15114	22414	14004	20247	21774	1	1	1	1	1	11243	1	1	1	18866	1	1	1	1	1	1	18356	33935	1	1	54737	1	13658	19411	1	1	1	1	12799	18485	1	1	18499	22084	1	1	18957	30986	1	1	1	1	1	1	1	1	18254	13667	16789	11803	1	9940	15990	1	36378	25942	38299	43744	40339	41904	26980	17670	27297	19595	24434	31184	22864	13135	16515	12448	23940	27203	44844	42248	17851	24357	36348	37571	26198	29585	26353	24257	1	1	34182	49290	19536	19732	34536	22119	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14850	1	13017	14871	15994	1	1	1	1	1	1	1	1	1	1	1	1	1	13197	1	1	1	31013	29958	1	1	18327	13383	1	1	1	1	1	1	1	1	1	1	1	1	7812	9263	1	1	11453	12950	1	1	1	1	1	1	39852	7705	9747	6340	15241	15344	14527	14072	1	1	11182	1	38221	21289	1	1	21217	7184	1	1	1	1	1	1	23224	8144
142.0255@1.0097513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25181	11522	1	17115	46325	47956	42618	45368	19132	10589	21937	1	32900	38741	12797	39008	15695	29177	42919	38535	77656	64027	74785	70633	92750	78482	40849	58763	286005	291011	82409	82120	35589	39686	1	14278	143198	146310	88984	86319	44601	44177	139439	138696	34720	37600	42914	26557	8562	11995	37968	54432	21262	18697	26699	51576	14422	14751	15690	17205	10513	18954	1	10443	13579	11134	12834	8295	18147	14926	15582	14802	15473	14847	15934	13677	19538	23144	12657	14410	21412	8101	14685	11053	19218	18554	13486	1	14115	13749	13679	12815	1	14858	21320	10795	13788	16712	12596	13570	17002	18555	16119	9981	20506	19334	1	1	1	1	21890	28325	1	1	47046	49946	1	1	15161	22283	1	1	1	1	1	1	19266	23251	22562	34533	1	1	19778	19106	12563	14913	1	1	1	1	1	1	11058	14626	19081	19271	26867	17587	12830	12079	20228	29970
<none> nullnullnull 0.93636346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13049	13919	19806	21792	10889	11112	14518	18527	12458	13158	20448	18114	8357	1	52183	54827	32074	30500	25875	20788	38630	37912	34204	41196	30462	26710	42939	42360	13891	13019	18311	19095	16760	16143	31929	72051	28234	22556	24542	22297	39211	42188	28689	31040	38814	40992	32790	38099	35984	31541	44650	42588	35182	37702	20191	27323	56327	57505	46273	44417	39348	36068	39598	39410	59622	54025	53904	47712	52226	51372	54668	54427	43842	45458	56252	53997	55577	56449	39977	42443	49143	48186	43270	38894	55250	56542	36749	39888	53885	52998	41087	40338	36025	38901	55496	49020	57102	53489	41634	45585	29368	27872	48990	51100	50078	46398	66362	61855	63130	65266	61304	61324	75380	69339	52230	47852	50973	48937	71079	69624	84310	89064	63541	59354	93321	90451	58721	56733	60182	59826	65638	70728	65180	66599	51440	51595	82274	84682	59305	55799	79380	73959	60632	62762	108897	105132	68214	64856	60079	57400	79200	77915
965.0256@0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10272	10082	1	1	1	1	1	1	11972	12595	1	1	1	1	1	6444	1	1	10716	10814	8734	9544	1	1	17934	17219	12872	11689	12069	10799	1	1	13809	14332	9369	11089	1	1	8966	11508	1	7868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1108.4581@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10118	9378	10882	10486	13695	14711	13095	11055	12440	7831	1	10262	16945	15137	9171	6696	15257	10796	8975	10394	12117	12575	12647	13927	17157	12980	7903	8435	17692	18430	13713	14303	13494	13800	1	6378	14549	16183	13546	12998	13214	15551	16166	13365	9873	11349	12843	12475	11458	13570	10961	9592	12819	15921	17910	14127	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
710.8592@0.85100013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16146	15113	8084	8642	22160	17154	1	1	1	1	8854	11916	23578	27050	6453	1	1	1	1	1	8663	1	22581	22861	19205	22237	9612	10174	27402	23891	21232	25953	16529	21921	10405	8495	23888	20365	22959	21969	6635	1	17311	16060	10356	12001	11632	11152	1	7519	1	13419	10072	6256	10314	11093	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1219.5931@0.8560002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10798	6532	7058	7529	7981	6104	7322	6626	8866	8713	5614	1	6891	7520	1	1	6952	6036	9221	9264	7568	7167	1	8200	8271	8546	7076	1	8718	9575	6235	6436	7069	6147	1	1	6312	6166	8927	8625	7486	6094	9085	6796	6503	1	1	1	5658	1	6483	8093	8144	8997	1	9178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
433.9657@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13439	12861	1	1	19604	16799	1	1	1	1	1	1	24415	25911	1	1	1	1	1	1	1	1	32120	31998	24189	23404	1	1	37261	35845	29009	30427	20126	20491	7628	1	18490	19042	19093	22510	1	1	14652	15928	1	1	1	1	1	1	10530	1	1	1	11449	11201	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
524.8186@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9185	12824	11683	10476	15662	16198	11994	11235	11756	12521	10064	15113	13480	15318	7836	1	1	12763	1	1	13761	1	13107	9990	17397	10522	10274	13627	8088	13526	16278	10036	13899	17158	1	6833	12952	10634	15242	15455	9545	10429	12282	11994	10065	8950	11330	7951	10498	9439	9439	10901	1	8002	10240	11070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.9430004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13079	1	8860	1	6277	7004	9081	11824	1	6496	6054	1	7251	7807	9125	8789	10595	8251	8026	6663	1	1	1	1	1	7284	1	7998	1	1	1	1	7517	7545	1	1	6816	1	7839	7884	13376	10189	6760	7889	11995	6433	6118	9516	1	6079	11877	12059	6007	6061	6744	6899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
160.1102@6.249828	276674	1	228241	144868	1	52243	97631	43614	1	42452	1	234929	74748	1	1	1	28423	135245	60789	62911	91421	120358	112848	79556	199248	1	133675	247013	275964	1	58001	258238	56998	110982	1	214994	91386	91761	1	151852	263008	120015	1	267375	61852	84141	86505	74223	1	72575	123687	57196	178949	273291	1	116984	48190	210532	82452	1	1	1	46420	156626	1	1	1	75103	1	1	1	167917	1	1	54057	1	1	1	212079	1	1	55610	1	98720	1	1	1	1	22405	1	1	1	128668	228357	1	1	208392	132066	1	85106	1	48649	1	1	58467	211240	1	1	1	68420	113033	1	1	203411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73207	1	1	1	1	1	69147	1	1	1	1	1	1	1	1	1	1	1	1	18560	140965	1	1	1	1	1	1	1	1	1	1	1	1	132295	42047	1	1	1	1	1	88745	1	1	1	1	275833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	144484	1	1	1	1	1	1	234541	1	7418	1
C23 H35 Cl3 N6 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69512	61851	148378	82159	66461	60115	85438	70412	70080	51794	48163	51492	179673	159333	93816	80724	64044	86178	72011	73021	51905	109429	111786	57319	36086	45645	30217	30225	27974	83573	83652	49134	37245	25181	25320	143963	76300	23873	34102	49165	65751	87246	55863	29444	37005	72319	42598	32434	26261	52284	78988	48838	29905	84699	137569	45525	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-Methylmuconolactone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18902	50807	21480	24146	57312	56608	25289	19416	13606	15444	20250	22039	1	1	17324	11937	23219	23655	11960	11984	30116	27165	33243	33426	32140	36598	17959	18922	1	48229	39151	48921	1	1	14623	16581	58177	52922	39114	37066	18905	20691	52886	56422	21881	19709	22230	22604	17205	18132	19883	22977	22525	22194	43367	27880	21945	34105	28486	30708	34535	34277	28051	31534	1	25639	33237	16475	27011	24234	30240	32302	33749	16730	30613	33426	14436	32370	26776	27727	27435	37082	31622	33392	24403	18831	26741	27461	33901	30631	11795	24828	26426	16353	37390	33757	33379	20876	20323	22590	15389	37334	29244	30070	26057	27649	1	13649	1	1	11827	1	1	1	17687	14499	1	1	17566	15840	1	1	1	1	1	1	16965	8474	14821	23087	13771	1	22580	20340	14981	23211	1	12541	19959	20085	1	1	10810	15122	1	1	13099	14030	20520	22043	16827	16648
C40 H86 N6 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10177	12771	10001	8381	24120	17968	13899	9583	10432	12975	7261	10713	17714	25675	1	6807	8738	1	9880	12565	13966	15212	14730	15761	14228	18514	11299	10064	19528	13640	14601	14694	13100	13274	6119	6823	17703	15084	19554	15715	1	10886	18050	18176	9721	9345	14672	9119	14699	11104	7403	11632	9109	11568	15353	12198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.8567@0.8560004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8833	7501	7341	8723	12153	10332	7740	8129	8981	8873	8576	1	15731	16813	1	1	1	1	1	10290	11197	9559	10075	10215	9085	8892	1	1	13196	12462	8894	10058	9531	9468	1	1	8695	8572	8051	7661	1	1	6729	7332	1	5807	7859	6977	1	1	1	6813	1	1	6865	8211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
742.5433@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7047	6555	7879	6758	7186	7625	6403	7983	7363	6323	1	1	1	1	8179	7706	6741	6795	7291	7150	1	1	1	6874	1	1	1	1	6774	7510	1	1	6970	1	1	5746	7230	1	6251	6318	8577	6683	1	1	10308	9141	1	1	9493	8032	6856	7191	8063	9605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(S)-3-Hydroxybutyric acid nullnullnull 2.446677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40320	33841	46776	33543	173044	166606	43913	47427	40317	47619	30653	1	124816	100517	39592	39327	40620	1	49208	43587	92506	87906	69942	74994	122695	125202	33972	52111	258765	460314	251920	302452	104577	77795	28526	76099	283458	287979	132143	184653	42578	80331	248901	107000	100195	70164	111476	108808	35456	40980	68640	58931	107367	60188	89004	89344	34874	39110	42010	39934	1	35137	128179	28256	19652	25110	1	45239	80432	1	48733	55157	53057	42938	76182	52018	68746	51310	1	56646	83541	115465	53129	37828	105138	30722	1	1	34342	58321	45812	49855	1	19321	78407	66841	57047	68793	32718	40583	99368	104326	46462	46164	53196	27303	24664	24561	47894	36943	141298	137941	47108	43871	145728	146059	126258	56517	91628	102787	38768	35871	151228	152163	32887	29718	125632	123046	226833	212888	97654	97014	115772	115782	217412	227673	36322	33398	185706	175870	26306	34799	117266	113092	49129	50222	103587	112382	191919	209168	127514	149387
950.3668@0.8639997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8692	8295	12081	8654	10821	11882	8067	8550	7511	9330	11140	9323	6043	6598	7189	1	10182	10386	6970	1	8718	8575	9860	10710	9908	10016	8460	9845	1	1	9464	10303	10567	7968	9490	10619	8525	8349	12913	13118	9738	10256	12281	13749	8473	8352	8949	9547	14367	12641	10257	13957	12127	10754	13424	13368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1066.5477@0.86300004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12423	8753	7851	11042	1	12182	14023	11176	11630	12793	9386	1	15684	13877	1	1	11113	14369	13287	15467	13115	9924	10253	8840	16674	7951	9492	9107	18863	10941	10186	11055	10338	6217	1	1	8868	10808	12125	11398	8192	11102	6346	9785	1	12920	10853	9554	11611	12118	9496	7784	11217	12626	9709	7226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N6 O3 nullnullnull 2.449193	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34514	30719	57634	1	1	1	44940	223443	25920	140332	1	73546	36003	38032	156949	165643	114471	104272	1	1	15226	20827	47566	33136	1	1	1	1	32819	1	50344	50071	1	57152	1	1	1	1	1	1	38296	41499	1	1	1	1	1	1	1	1	1	1	39094	1	1	1	1	1	82552	47296	1	1	28634	1	1	1	1	39164	1	1	1	1	1	52196	44516	37092	1	1	1	35659	1	1	1	1	1	1	23797	28516	72313	68198	30451	25950	69920	79127	56686	79375	53924	66772	1	23763	82631	80068	1	1	60790	57331	109913	110849	54873	50152	55125	53547	133396	133520	17076	1	88742	85482	1	1	55792	66678	28521	34868	44470	52682	109656	111725	81731	65016
Polythiazide nullnullnull 0.8600003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16148	16924	15256	13221	21120	20447	9690	10057	14058	13730	27486	25768	28158	27402	8281	7454	12711	10577	10156	11499	14346	10822	20591	20400	21856	17020	23820	24048	22710	24730	18580	20036	25507	25158	10566	10229	26241	25483	24033	22295	8146	9377	21145	16333	11854	12927	17075	12782	18285	16342	12546	14202	14022	13346	18181	16319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
199.0305@3.0289996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12339	12258	1	1	1	1	1	1	9787	1	33768	38641	48393	41032	10458	12884	13548	17464	28962	31356	24706	27796	1	1	28193	24527	33101	40039	1	1	50717	56216	1	1	1	1	12261	12127	10698	12257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.7008@0.86600006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5736	1	8378	6946	1	7017	8063	1	1	1	6258	8077	1	1	1	1	7860	1	7308	1	6941	8171	6074	1	1	1	6229	9570	9251	1	6449	8174	1	5645	1	7290	5978	1	1	1	1	1	1	6892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Succinic acid nullnullnull 1.7497286	75845	61850	196939	200872	88248	92002	225702	219228	132783	131643	109649	115398	116963	124050	145982	142767	100642	108775	134459	131188	22174	28758	244837	244734	144148	150811	74875	81037	119605	125984	86752	87514	113406	101529	25196	29860	61094	56996	166559	166555	89382	89054	46943	52422	43946	48605	116423	120658	18417	20757	32289	35617	139566	138249	20285	20893	126559	127501	1	1	36083	35329	90136	85695	20119	23675	25197	23850	24419	22661	142386	142813	1	1	22516	24771	16544	18483	19920	18009	80387	76146	33670	34729	18228	17383	77793	83827	52262	43662	111424	112853	1	22449	142051	142075	59188	57180	27855	28833	73012	70632	26455	24666	62008	67767	19893	18980	15383	15392	14493	12857	36552	42140	36377	38479	42283	44519	40954	41165	41307	45592	35491	38822	51458	54204	57315	56529	51748	53961	50345	45423	66430	70492	52354	54161	52971	52021	52235	60332	61761	63000	58490	59470	34175	34057	42341	38080	30278	28852	52858	48375	39603	43924	51194	54678	23774	22897	49224	48438	55634	51401	34062	31090	1	1	1	1	9995	21561	1	1	10020	1	1	1	1	17967	1	1	25360	1	1	1	45044	45149	28785	26688	1	1	55491	54078	1	1	1	1	23763	27128	1	1	33519	31598	23323	28587	1	24424	22427	26922	26723	26195
663.6735@0.8629999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11627	17783	13840	16542	14549	15590	13058	14248	15602	17297	13718	12931	11233	14717	6525	8479	13079	11781	14482	19467	21700	18913	13081	16554	15076	16703	12424	13159	11333	10042	9580	15080	13999	9224	10805	10296	10141	12953	10802	9881	6360	10238	11530	10739	10525	14194	13951	11194	10231	9414	10129	13287	11798	11678	11531	16425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
944.8313@0.83900034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33346	32404	33405	36034	27982	21357	37904	39213	35975	35325	34748	31680	13637	16086	82188	76844	79029	74169	43928	13002	1	12324	14153	14682	18584	21753	31880	36930	14351	15335	15329	18804	20218	16592	36833	37700	20029	24375	29872	28837	83601	83272	40471	40881	70143	70036	64337	67011	73140	70849	64160	70504	71967	73460	99265	71206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(P-18:1(9Z)/24:1(15Z))	17403	17675	12024	20025	17025	12598	18508	22905	18675	26103	17418	16854	19738	18365	12557	1	22881	21587	18998	18562	16994	14316	13985	12104	20718	21299	13298	16412	17115	13322	19792	14476	26038	25656	20990	21174	22990	22631	17503	14686	21938	25328	19292	12075	11907	1	13154	9566	11084	14428	1	1	14678	12958	22548	18990	26877	25069	24349	25390	19092	17067	23386	13427	21040	19676	25595	24847	20110	13514	27447	14525	8066	11203	24495	25595	21127	17948	20189	19719	12159	13838	16404	19928	17303	14466	18372	18010	13016	17201	18230	24081	11894	1	18762	12625	15683	15855	21285	16940	13777	15188	15642	18344	23555	20238	28351	25615	14896	14348	21712	16534	23005	24834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8448441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10061	13510	11978	12989	14794	13103	11324	13591	9939	8916	1	8310	14692	11446	9166	1	15156	7374	14203	8255	7731	1	9247	11193	11281	11815	10281	1	11633	14610	12628	11347	12038	14064	7030	11401	15479	10947	12620	10092	9650	6698	13071	18414	11280	15009	16568	8642	6778	1	7757	13626	10231	13181	16889	11048	6533	7356	8562	8886	11589	8547	9042	9718	6433	7730	8870	7736	8767	8665	7872	8249	8092	10283	11092	6786	9822	8984	9460	10329	10957	7805	9584	8325	8703	9490	7788	10332	7861	8159	7563	8930	9174	9056	1	8996	10064	9659	7005	7467	11314	12061	9878	9717	6946	9273	9154	9383	8909	10635	10405	9575	8553	9030	12783	13746	11843	8246	10047	10302	9119	9662	12436	12372	8339	8874	16872	16416	18670	19038	9957	8384	17816	18261	16420	16467	9842	8685	18266	17089	9991	8534	16302	15014	10645	9606	14397	14200	20183	19898	13272	17358
90.0125@0.9529994:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	97711	100421	82798	87824	97198	97527	107153	100730	100108	102328	95798	98162	88997	92426	89625	90178	109629	118767	113489	108446	95759	119456	76840	78273	89839	100882	106003	104744	75915	71340	78122	77047	98980	97132	106368	105142	103547	104597	107444	110145	112437	122948	100119	94876	114998	114877	114916	124502	133412	123124	94073	102848	114070	105148	141898	132681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
930.588@0.8659998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7265	6548	8822	5951	9300	1	1	1	1	1	9144	10575	10908	1	1	1	7421	9058	1	8470	7320	10545	9369	9841	7262	1	1	8992	7346	8001	6351	9273	10050	1	1	9661	8056	10056	6595	1	1	1	8952	6295	6806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H4 N2 O7 S2 nullnullnull 0.80941945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27785	26701	23858	20672	21486	22221	23415	25231	29913	28892	23373	24240	20038	20542	24129	24615	39200	37598	38088	25437	15518	19627	11588	8895	18107	20392	24097	24708	18173	18006	18352	17599	22819	24521	15125	16104	24962	24630	24891	25180	37275	37516	27729	24730	31859	31630	34400	36701	45513	50944	23332	26912	35985	37725	47823	44827	24843	22443	30457	31630	29140	29573	37017	32648	32085	34902	19554	33253	26014	27558	19585	19999	28709	29951	21726	24061	22559	21785	34110	36546	26912	27631	34277	35530	24278	24895	36768	38458	27748	29166	36435	36763	32748	34472	33199	29933	15934	13251	28369	30805	31216	29633	27965	23073	24117	26536	11022	11651	12434	13110	12365	12400	18424	17253	13320	12767	15392	16345	12771	14031	15512	14698	14304	14893	15817	13945	14867	15838	15778	16292	16211	16044	11906	13292	21762	21271	14315	15290	15241	16634	13235	16087	20899	16281	19173	18980	16276	13598	12458	11957	12545	12420
Heptanoic acid, 6-hydroxy-, (R)-	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25542	34678	48094	45773	56820	47986	91618	53575	80534	55720	59715	55256	15530	237391	161324	245586	35102	35557	38465	44628	1	1	99602	95894	39392	22113	30589	50485	36619	78117	31705	45413	13638	10420	171920	20380	29206	24187	33332	31711	27988	29802	19089	19042	23576	17202	1	259175	296737	125113	22970	21450	128014	249144	59634	260279	1	1	1	1	1	1	21318	29928	1	1	1	1	1	1	1	1	1	1	1	1	30229	33487	33455	21638	24211	20436	1	14444	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44890	46570	41509	54943	51440	32306	52057	34583	35764	33537	37512	42608	7930	1	15854	14993	15235	37091	1	1	1	1	1	1	1	1	1	1	1	1	1	22688	43377	24171	1	1
1139.7548@0.8416296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9076	7388	13876	14782	8897	12482	12167	13518	14128	16337	14328	10957	9169	14404	24573	26069	25293	28293	15369	1	1	1	7820	9656	9097	10650	16997	14684	12163	11275	10799	11583	14428	16974	15556	21100	15401	13763	13683	14953	26861	25539	22946	19193	21531	22502	22426	24487	21805	20734	19970	23259	21557	23994	28406	19529	6571	9577	7901	8220	6767	5806	8555	8331	5890	7336	6369	7649	7181	7929	6430	7663	6860	7050	7742	6982	7779	6478	6726	7853	7100	9662	10912	8368	9886	7933	7453	7200	7010	8468	8295	8087	7253	8771	1	7492	6883	7100	7100	7236	6631	7303	8146	7363	6986	6873	5650	6419	6712	8193	6081	7239	6655	9221	7951	9149	5802	6485	8935	8030	5780	6997	6723	6596	6195	6045	6619	7819	9611	8963	7826	6045	7200	9531	6141	9178	7876	5983	7728	7539	6306	6544	8508	8576	6553	7972	7370	7953	8669	8997	7173	7712
neoisomenthol nullnullnull 9.174004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	237825	237800	136913	347557	207132	219903	122714	227571	198940	229237	230515	153740	370853	385370	325705	263698	88882	269862	99806	278000	461263	239455	182969	131245	291695	312512	418260	269696	270872	377238	235864	412163	213425	291101	105425	346106	345672	397330	286410	266506	285392	122464	370821	487320	155813	322201	347556	272065	287669	312999	184045	336444	120985	331050	6905518	374997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1151.6863@0.8460002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7827	1	1	1	7250	1	6483	6273	6840	1	1	8914	1	1	1	1	5692	7846	1	1	1	1	1	1	1	7465	1	1	1	1	6754	7924	8974	7752	1	5953	9852	9409	8931	9754	6896	5767	7655	9978	7632	9986	7516	9855	1	6377	8076	1	1	7499	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H10 O7 nullnullnull 1.5383885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143514	144597	88339	86576	552787	546924	146114	141939	115060	118905	66648	67742	304499	308166	49903	44387	79909	76496	68022	79112	112126	117343	297937	307563	310689	322088	65290	57318	732331	742730	455208	467769	311677	306636	1	45728	490059	492909	335758	342821	116062	108833	484567	489376	98412	88173	103301	86014	71831	74862	87246	102772	89390	82557	105264	125529	13145	12395	11669	1	16207	22790	43175	27336	1	23066	32318	1	25334	26628	42555	42274	28818	32383	13695	14327	24301	1	1	12402	18540	1	38514	38085	1	31858	1	1	10910	33852	42826	48471	11489	39270	37842	16218	43942	42380	24837	28811	57017	46316	33860	39799	1	19678	132063	129500	99854	94380	113277	102312	66662	66063	203542	204204	90410	101951	167304	158451	81846	82942	120214	128296	74814	84150	197493	193973	168785	161692	97217	105767	406616	383702	209809	205268	97270	93474	157207	164164	93482	89020	171676	175612	69700	67822	165821	164501	320625	314501	211114	189942
643.9297@0.8450002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29744	31202	12745	10923	15884	17948	11005	11119	9103	10073	26768	25252	16437	19158	14987	12662	13829	15487	16528	12254	12581	11890	22117	25969	19774	23405	27159	21082	27118	25999	21618	22521	17974	17906	9607	1	17951	22315	22509	19565	1	1	17033	16322	17665	17239	11127	16805	20386	23097	22517	21778	25802	26528	13221	23575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0319@5.7550006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32166	1	1	1	1	1	50504	49096	285358	130831	80941	125902	48941	31615	1	1	66495	64787	61796	1	77116	81759	47650	53856	78923	72766	40129	38679	197113	86823	75633	52502	75334	58446	29064	29430	93557	86274	1	45334	25953	66363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8964567	24652	24747	26271	24388	29426	29125	19664	18719	27501	26874	26966	30580	27448	26808	20484	18623	25767	29885	26653	24102	29286	27707	17249	17402	21990	23826	24602	23924	16260	15623	48346	46881	42646	46201	46081	51044	44209	43594	43291	40994	44218	46215	32271	32658	26894	28442	31239	34410	31449	34741	50378	49086	40089	41515	59190	52835	39884	41000	22535	23719	21864	23789	24212	26198	26338	24418	23075	24815	20410	20908	14508	16446	69254	66031	48528	46826	57856	69288	51827	56227	20551	22102	37816	31124	38383	41891	15565	13920	19761	21595	23370	25857	34091	64807	33799	30789	34967	33574	48024	45143	40469	38235	32493	30635	37075	36729	49045	52753	32556	33221	39117	35783	14226	32718	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H2 Cl3 O7 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12712	11843	1	8448	11857	8482	9659	8384	9844	10716	9762	1	10324	9417	8094	6843	9661	14034	10546	15705	11680	9279	1	8555	10799	10635	9094	9261	6695	10788	6991	7813	9616	11102	6498	1	1	7489	10885	1	10117	11316	10597	9291	9563	9318	11062	14029	12430	9453	1	1	9550	11397	11995	13650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H8 N O23 S nullnullnull 13.395001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118729	85112	80965	80259	105369	103231	24156	64328	75836	27492	78254	60798	182920	72920	83289	197252	19108	96790	23466	109580	186057	192206	1	1	1	44586	69528	78894	62733	118356	177089	13977	92923	63318	27387	121207	93674	244294	76744	287387	288331	158264	450155	21743	261178	104281	221437	179091	132544	125949	62224	38950	70403	22806	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
763.3487@0.8419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5943	1	1	1	1	6657	1	7020	1	8177	6997	1	9127	6810	8252	9085	8755	1	1	1	1	1	1	1	1	1	6676	1	6061	5743	5982	1	6225	5770	5685	7674	8167	6173	9470	8693	9118	6425	5961	9539	7987	9153	1	8579	9709	10089	6059	7316	8176	8857	7407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86690724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7549	7074	1	9448	13733	6278	8743	8044	9351	1	7074	12722	16951	6873	1	1	8644	8124	8292	1	11262	11419	9232	10589	10635	8333	1	10804	14939	10755	12086	11286	10416	8449	1	11320	14968	13235	9445	7273	8332	7693	7680	7315	8877	7036	9284	1	1	8471	1	1	1	11206	8912	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1233.6228@0.8530003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6909	9134	8521	1	9166	9523	7190	7693	10493	9650	1	6906	11189	7381	1	1	1	1	7880	1	1	1	1	6953	10139	11100	9531	1	10036	10865	11884	10706	11190	7891	7329	7790	9276	11481	8745	8674	1	8780	9155	10541	9820	5759	7299	6205	1	1	6783	8813	6899	7985	8722	9588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
811.6161@0.8639998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13355	12188	11757	8015	11169	9968	13575	9897	14835	11656	13207	7109	23583	13175	1	1	1	11578	13710	10320	13783	12933	13267	8862	9060	11323	11011	9701	12424	15715	10713	14409	14744	14303	7773	1	11755	13443	11845	15110	12156	9020	9824	8385	10611	7911	11025	10607	1	15251	6979	6257	1	12499	12079	13396	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
237.9949@0.93987936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9769	9953	1	1	11869	9121	1	7762	9279	1	7120	7502	11349	15061	1	7537	7543	9595	9226	11528	8025	1	1	1	11255	8741	1	1	8098	1	11028	10067	1	9224	1	1	9447	10887	10808	11913	8360	10493	11457	8389	8346	7844	7238	8218	9150	11260	1	1	8379	11367	16956	11845	14419	12653	14770	16188	17534	16135	15487	17868	16928	16004	14113	14915	15013	10978	9497	10415	16072	14345	14613	15034	10667	15001	16082	16937	11751	13379	14841	16057	11596	12244	16083	18962	12284	12256	20561	19479	16607	16797	13366	13023	13476	11080	13468	14047	14755	13205	14644	15106	11696	10698	9702	12063	12850	12350	9138	10863	13616	14953	12425	9703	12747	13142	11725	1	13686	11086	9570	8931	1	13992	11599	1	15399	11796	13928	12623	10980	1	11749	14940	12743	12687	14494	8094	13113	12148	11090	14069	11598	13171	13194	9560	8507	12160	9962	10746
C3 H4 N2 O2 S nullnullnull 4.643392	117284	133916	120730	121507	152826	146105	115330	131529	96974	114988	139889	154238	95673	95745	127650	138191	153767	100827	48376	102319	98711	110106	121576	137189	139028	139154	118098	128801	108889	131800	149409	150203	55935	143192	127170	133004	148124	124716	146765	83636	115273	126227	127068	136422	51128	149605	143026	130993	104474	116270	111323	154402	133117	172903	157885	140997	135178	152625	51053	60400	60260	53171	1	56632	1	66832	61250	1	1	56647	67893	54697	49367	1	1	1	1	59112	96060	79030	85271	83735	96389	75780	75349	92187	101616	69684	38575	92339	69519	81902	157386	129859	106161	59217	87274	106241	102103	89643	100193	96686	99258	92689	72225	67547	95388	83716	93418	76731	60098	69084	1	77640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1114.505@0.97900003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7642	1	6152	1	8213	6645	1	1	1	8722	1	1	7715	6841	1	1	9953	1	1	7318	1	6695	7312	6860	11513	7108	1	1	11305	14152	7257	6659	6928	8145	1	1	7077	7537	7175	6853	1	1	6721	6283	1	1	1	1	1	1	7381	7004	1	1	8974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1050.778@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10504	8699	12287	1	1	11424	8337	9978	8344	7653	12896	8313	1	16687	17313	17746	18702	13873	1	1	1	1	1	9918	7921	10232	8586	10284	8860	10591	8103	8386	9792	6518	11462	10897	13187	15834	14143	19774	18146	14292	13622	17828	16824	21596	17906	19414	14930	18485	14870	19902	19160	30389	17407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C13 H14 N11 O4 S nullnullnull 0.9920004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27228	26415	28655	26270	23637	25721	30874	29774	30576	31223	28771	31493	21803	24639	24208	23642	26097	25529	25499	27281	24309	23766	21583	21704	22299	21480	24295	24479	15557	14455	15097	17175	17450	19038	20576	24947	20689	18607	20777	20680	24289	25448	21664	21533	23216	24316	24212	23335	26564	26551	23501	23602	26074	23946	26198	26103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
592.7762@0.859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5989	6373	6491	8073	1	1	1	6698	1	6721	1	1	6772	1	1	5787	1	1	7638	1	1	1	1	6846	6830	1	1	8794	10223	6767	6076	1	7338	1	1	9016	5949	7214	1	1	5795	1	6259	1	1	1	1	1	1	1	5870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9827@3.5250003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57258	1	67663	1	1	1	1	1	1	1	10121	1	34770	1	1	1	1	1	1	7053	41137	1	1	1	1	73821	1	1	1	21582	1	1	1	1	1	1	1	1	81066	26042	44968	1	1	1	1	1	1	1	9869	1	24956	73103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.1268@7.096998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57491	33574	1	1	25250	1	1	40094	69968	32033	1	104658	90213	1	1	1	1	32576	74579	355494	168546	121031	85072	56173	46468	37647	45540	52109	1	43465	51402	54923	153730	115764	68397	107707	105959	59386	78905	125846	93071	24354	32826	120382	87408	1	1	173232	143320	110507	60146	103459	39626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
635.6709@0.86000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8607	9873	6485	7276	9956	8648	1	1	8277	1	1	1	7771	8306	1	1	6375	1	8741	7485	7286	8470	10577	7684	8555	10369	6076	1	6502	1	6705	8564	9278	7044	1	1	6009	11397	10613	10578	6677	8377	8741	9661	6901	9357	8519	7967	1	8018	1	1	6159	1	8983	9468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.005004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60468	23090	17538	64752	77866	53249	71796	65902	57679	146562	70643	68033	82773	88818	39571	49888	35707	43410	49181	27520	67613	64721	19094	65455	55052	36542	39687	30073	33097	33566	40136	51313	46662	37017	42461	34690	83518	38440	43850	57193	51197	37897	74887	73635	53581	36673	215033	58429	48908	44339	83827	61535	33537	44862	99918	51558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C35 H49 O9 nullnullnull 10.833245	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113080	111483	94940	92466	349245	295500	36853	33222	69447	68197	55953	42697	421537	338734	52761	57380	36104	37647	39278	41070	123391	117454	1734413	817204	445121	344496	63640	59189	437518	424529	503313	515991	523560	453982	81785	82338	586893	428098	571481	472987	100084	103509	510548	425777	142952	141899	257625	130104	47925	45346	199869	170906	121873	125639	137021	117664	15560	15646	22061	21027	33169	33191	26440	26498	11830	13428	10812	9346	19207	19033	16686	15595	15528	11878	21117	21324	21685	21472	29748	28619	1	1	1	1	1	1	18495	17839	9141	1	1	1	22782	25213	1	1	136805	132361	11472	13027	25130	23897	10204	11976	37147	35346	128392	130970	124453	112228	1	1	1	1	117869	104971	249745	193073	86228	76297	107632	100345	172756	153980	93237	88636	189506	168158	39714	37960	100826	96138	158337	144162	106944	102684	123490	121018	122878	114978	113568	111922	294657	127808	1	1	195050	165870	350495	437598	138448	125046
311.1058@1.2512596	12445	10828	10176	11095	9458	7912	21762	22499	11547	12501	9482	10939	9473	10334	11230	9759	11787	10481	10289	8113	1	6227	15494	13967	9442	11311	12256	11591	13482	13956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8847	8222	1	1	1	1	1	1	1	1	7988	1	15096	16800	1	1	49861	57521	56560	66289	9050	19092	1	1	7717	6303	15025	24892	1	1	18646	24247	1	1	1	1	1	1	6576	6810	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H24 N2 O22 nullnullnull 11.492999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36212	42180	13202	11984	49346	36068	47130	42192	35459	36950	42475	45660	40937	37839	27232	20963	23520	22300	21311	26342	26063	25612	37364	33275	7437	22814	24814	24977	16240	8298	21196	21676	25278	23230	20768	24957	22774	24787	31464	27092	24225	25673	19801	27835	25841	22817	32983	17311	19364	20210	23944	26459	23371	24816	43675	28264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.9385@1.0991324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28699	26294	1	1	1	1	24822	1	1	1	1	1	1	1	30357	29609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42905	43518	35423	44825	33905	24390	29856	1	38820	1	23524	1	1	1	1	1	1	1	39754	1	25931	22063	1	1	1	36615	1	1	12314	1	39047	1	40801	1	1	1	1	28853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H5 Cl2 N O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14405	15714	7409	11268	9868	8743	9995	13769	10629	12905	12447	12834	7880	10489	6768	6831	12538	11208	11589	12262	11936	11049	6954	7982	9681	9193	9004	10635	1	7614	7344	5497	1	1	8022	1	7996	7476	8394	6915	10634	11349	6594	7601	11158	9967	8812	9124	10447	7828	8688	7776	7733	10171	1	8728	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
466.3161@5.330997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	320032	352548	312920	331260	337699	348332	341778	335602	341343	350520	323535	334245	321514	309061	363412	328570	330011	321073	309987	318438	323718	301635	257375	266203	278356	284875	306690	292293	285863	273005	279719	301432	306798	297571	306664	375228	341434	346662	340675	342567	360671	362099	345748	334603	366385	335202	344688	362204	367358	365134	327806	354549	347694	347676	1055538	347564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868 :95	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12216	7967	10672	10797	9921	13280	8641	9963	13721	13224	12379	10137	10104	12238	1	1	11667	13366	13552	12623	11376	13419	12255	10068	9215	10659	7828	8462	10116	11435	9647	9751	5920	10690	1	1	8003	7014	12179	8081	1	13138	7437	10720	1	9450	8809	8055	11528	8531	9073	11585	13265	11315	11935	11733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
800.2962@0.8450002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8604	1	1	1	6771	7447	7435	8797	8106	1	1	1	7291	7702	1	1	1	6194	1	1	6848	1	1	1	6867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C27 H13 N8 O13 nullnullnull 11.721992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	141852	95924	147965	142695	192519	232965	122822	83266	151994	137599	190604	87420	125789	140162	92971	55797	31598	66779	53965	53004	48599	44339	1	1	39869	54372	47676	49851	53169	55713	33969	55433	55687	41835	36310	54036	56460	54215	39693	87537	41403	43993	44467	58584	52089	56673	36558	29031	81743	67489	60167	68922	55471	59931	1	50288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Orthothymotinic Acid	45015	50236	42204	47212	40728	34406	39137	52922	42840	43098	44824	45330	35582	44582	36302	32338	143075	48393	44303	34514	51731	61721	36365	46886	53390	52028	54028	42784	41369	46021	45306	37401	45203	48473	47624	54307	52562	44962	21246	168363	45328	35101	44125	46626	49293	43585	50442	42622	49694	23479	54817	51795	44452	44005	23521	18944	55285	42498	24124	27671	27127	29105	34588	19659	26876	25257	25928	22054	26599	27934	28033	27076	30547	29212	41300	42324	44010	43802	39698	42340	51088	45141	43542	47523	46071	39453	36838	12895	45890	26601	48753	37097	39907	42224	43619	43746	55582	48422	40428	26094	44759	42748	37730	43066	52775	44149	45147	22556	46652	46469	24217	34292	1363929	42353	133768	130528	128753	134498	131871	131026	140782	138965	134581	142592	132532	137923	142546	138842	133379	140593	137150	136941	138242	135346	133479	136637	142268	130412	143090	137093	138283	135504	134869	140135	134224	135822	136505	143190	143257	147093	135539	135363	141936	143497	126820	138523	142933	132339	138355	130603	129981	130454	181137	138991	124302	124864	124785	125699	122459	133715	130489	130841	122432	132200	113769	131843	129561	134288	118859	113781	111925	121447	110925	118410	113789	109057	111028	107870	113493	105034	118454	87800	113911	108930	115696	110879	109125	114056	117804	120043	110201	109425	116381	116232	118575	116571	118016	121608	111152	106102
C32 H5 Cl3 O3 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6138	7248	7675	6171	1	9304	1	8078	8663	9341	7287	8719	9342	13578	8647	7382	10019	9216	9901	1	1	1	9857	10371	1	1	6683	6807	13826	16792	12152	10689	8266	12533	1	1	11553	10806	8230	1	9470	8858	1	1	7048	1	7961	6706	11172	11246	6523	6809	7937	8219	9954	7254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Sirolimus	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6932	7205	7402	7912	8638	8373	7016	8139	11606	9733	6388	6729	10519	5898	1	1	8918	1	8877	10722	11913	8804	7451	6998	7562	8153	9456	6235	7262	7213	8033	7481	8575	5712	1	1	6963	9588	9530	7447	6644	1	7156	7582	7227	8813	9961	1	1	1	7265	7244	8587	6161	10135	8257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H O9 S null 1.1008269	1	1	1	31139	1	1	1	1	1	1	1	1	28312	1	27791	1	1	1	1	1	32485	1	1	1	1	1	28366	1	22784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19863	1	1	1	15734	1	35144	1	1	1	1	1	1	1	1	12990	18104	10845	12045	13610	1	17366	1	1	1	1	1	8964	67382	27055	61728	23706	22067	20586	17008	1	1	29902	16137	28019	20002	54593	21249	16636	28092	32070	27609	18531	1	22692	20523	21193	17877	21373	23642	25133	29468	1	17295	22313	20613	24672	1	1	1	23599	23346	21777	23935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1108.7878@0.8419997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8665	1	8130	1	1	1	7895	7668	11272	13898	1	1	1	1	1	1	1	1	1	8422	9366	1	1	1	9461	9548	1	1	10071	11499	11300	11961	10023	14091	11077	11967	10703	9267	9607	1	14614	14417	9811	9468	9943	8556	12812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ethyl 3-hydroxybutyrate nullnullnull 4.448863	149480	286675	137601	172047	266448	257716	241939	256469	260848	242947	215476	246558	246676	119622	209517	230093	244580	185635	261694	240785	250061	226419	156126	83995	294382	292022	262852	332241	270329	286871	152861	125641	307016	278362	161186	63077	275304	283570	289397	245923	34194	313072	251036	340245	286327	314667	142977	249628	282910	284396	311240	336255	352793	322186	188012	172250	331184	326933	37833	190223	39189	172775	147408	150894	160902	174638	145112	154217	191100	155041	158600	165263	147703	178682	172285	169823	159561	86479	171096	192063	100100	107242	185216	210561	220312	171333	63208	161709	208059	154004	156760	191112	1	239240	217603	229836	213273	223658	194897	264452	231381	199762	219536	225328	220252	230547	228708	210330	193176	221820	196260	247525	92769	206009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
166.9862@0.91799986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10335	11782	8461	1	1	1	1	1	9983	1	1	1	1	1	1	1	1	1	15290	15949	11982	10122	1	1	12516	16113	7904	8994	14430	1	1	10605	14443	11813	9511	16964	1	1	11378	10222	11376	1	7912	8115	1	1	1	1	1	1	10401	10170	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C26 H2 N O14 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50456	50038	51084	50152	46571	44487	49988	49593	47974	48634	45390	43918	27884	27331	95143	91092	81097	74491	56368	21924	18639	21130	18751	18895	31677	35409	39383	44680	18785	22559	33792	34284	37223	38155	40627	85126	53123	47494	65379	63420	90346	88458	75103	73166	84328	88146	85017	89556	68400	66773	86322	86695	83971	83651	142027	91424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) nullnullnull 10.834867	306587	240537	80371	109428	80863	77863	72417	54272	163684	119286	111873	128404	322619	141005	322496	160597	1057577	164530	304582	162028	173959	236934	72894	65680	156930	93251	126483	94038	136501	117922	24757	23559	37584	32924	80614	80025	41082	38850	33628	25762	83933	80570	27980	29627	14094	10920	313287	13263	1	1	34892	30211	324027	208521	1	1	67877	68725	29156	29997	16238	421308	875147	23436	242385	9431	331986	266216	12268	226761	32727	19656	178849	172516	257177	234662	15079	12305	559354	501464	238332	90463	927906	21640	15352	13040	16340	15452	26325	30821	993871	27644	204067	201122	1030157	532970	52563	29346	16493	15125	48756	764489	18302	14801	1369086	15129	218740	203781	614251	15328	21193	24266	582899	444437	62327	63253	80060	72384	111038	104942	84579	79717	44367	40848	46371	44356	59455	53562	54339	53399	39062	38232	79513	75095	66215	62032	87220	84493	32331	31596	27584	28193	30963	32059	78188	74657	40097	39360	21997	20860	93015	91930	23897	24403	449384	418464	44019	42160	87655	84106	43620	42632	84683	87295	820785	837591	697849	594867	37389	28977	13140	12268	694389	508797	2228181	1635673	283438	233445	503238	459937	1073335	838475	482243	468451	874846	680339	263515	210713	569011	530250	644466	592925	445695	387024	507433	474288	747952	498094	625791	605205	2504985	561796	11211	7721	1116101	794911	2339234	3683560	730605	593507
100.053@1.2099994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9081	17497	18654	1	1	1	1	1	1	8334	8335	1	1	1	1	1	26392	8081	29761	10378	13211	10145	12210	17682	17913	10144	13540	15783	11409	8018	13849	1	9012	14795	14243	12734	14606	8074	1	20364	20391	8632	8827	12225	10790	1	1	10910	14265	9835	13313	15152	13831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.9477@3.7117608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75386	53490	180875	38171	28485	1	1	63782	26935	1	120127	27616	28345	132889	13862	58870	124495	17297	1	1	1	69776	1	25558	1	1	1	1	1	1	27377	1	29575	1	52291	1	1	1	53439	1	71650	1	1	1	1	1	1	1	1	1	1	1	13369	12531	1	64246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
618.9106@0.85099995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10010	1	1	1	1	1	1	18939	16392	1	1	1	1	1	1	1	1	14321	12244	13080	12307	1	1	17534	18986	16788	17981	16886	16549	1	1	20072	17298	18149	21653	1	1	14081	14536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
920.8111@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13911	13018	14269	17689	20885	22636	10573	12493	12556	15587	10680	12893	19159	20838	19916	19756	21347	25085	12516	1	8379	1	18996	16324	16662	20461	11069	11902	20650	20884	21691	19553	23205	27546	15493	15068	29780	25875	23404	30150	26033	20526	27762	26676	19010	21306	21491	16709	24496	27366	18742	14113	25603	18135	30608	20620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8429998 :96	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12132	11304	10010	9837	9908	9902	9522	13490	8830	11834	12290	9057	14051	16545	11597	11754	11849	11045	9197	1	1	1	1	9577	7908	7299	10623	10291	17788	18286	14163	16203	13442	15939	9090	7017	21186	20555	17439	12516	15408	12973	14037	14121	12958	13476	13957	10914	18339	12302	8832	11105	15606	15484	22813	15473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H Cl2 O11 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10636	10907	7933	8705	12334	11142	11320	10718	10882	10669	1	1	11088	10351	1	1	8135	7987	10973	16261	11243	10822	8659	7937	11644	9533	1	1	10233	10298	9376	9537	8504	8623	1	1	7487	8676	8726	9562	10082	9381	9295	11351	12441	8619	10181	10510	1	8560	7413	9119	9736	9130	14681	14679	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
936.3849@0.8670002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7932	9509	9893	6641	6910	7160	6424	9986	11267	8419	6592	8229	1	1	1	1	7194	10165	7443	1	8731	8660	1	7749	1	6918	8383	7282	1	1	5985	1	6509	1	5889	5715	1	1	8517	9683	9041	6381	7103	8448	9174	7967	8382	9136	7354	1	8770	7971	9498	6481	8771	8742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1,2-Diamino-4-nitrobenzene	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12885	14441	19169	17901	16096	13459	11720	11875	17477	15847	16068	15129	24878	23980	17516	14613	18600	18131	13764	11801	19410	21565	26722	23817	20316	21180	17927	18593	26100	25752	23527	24963	24953	33110	10508	19408	35736	34931	33254	31439	21122	21313	27049	32317	28093	28459	27572	25512	15355	16954	25632	23780	22801	21745	33507	31163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
728.8518@0.84299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13471	13038	13433	12898	1	1	13544	13499	16026	14151	14816	13752	14126	13873	22195	21575	22534	23225	12325	7597	1	1	1	10321	1	6984	13114	16599	17287	15001	12708	7491	16622	1	1	8966	15215	16185	8172	12808	19123	22065	9946	9780	14423	16563	17936	16694	24816	21278	20352	13840	20574	16612	22124	18249	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
477.9558@0.8769999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6946	1	1	1	1	1	8279	10608	8025	7050	1	1	1	1	1	1	1	1	9056	8021	11459	1	7941	9038	10043	8448	9539	1	1	1	1	1	1	1	8136	10450	1	1	1	1	1	1	1	1	1	1	1	1	9146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> null 0.85642123	1	10705	1	1	1	1	1	1	1	1	1	11930	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7140	1	1	1	1	1	7941	1	1	1	1	1	1	1	1	1	1	110703	109565	117570	124190	81285	82181	146497	140441	141945	139555	137309	130784	47587	51172	77052	73166	116275	110985	132581	167675	140462	142725	67643	62922	84236	79181	128308	119619	29695	27385	43432	39392	7471	44628	87016	62250	42653	5989	9126	60092	113501	111002	69530	69696	94764	11076	101740	100599	129236	128411	16654	91713	107606	17309	95974	104992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.022027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38955	32300	27220	22955	74014	15352	26548	27670	26464	25223	25370	25102	13565	12150	36356	35969	39596	44102	37380	34770	35897	36577	10220	12651	21814	18998	28706	28224	103850	6536	77201	20437	40241	24675	25276	24072	22322	21936	18317	15850	40824	37790	23746	25884	29068	27928	34190	34422	31429	35138	36258	40343	37347	35061	35715	45470	33128	36280	30517	35356	34420	38898	21615	17107	44085	39900	20615	16756	21844	31658	28898	24386	28210	23187	19805	21404	31277	22928	36660	42229	20943	19952	18212	18651	24117	22665	20137	36139	36123	40005	30654	32312	23985	22672	35869	27760	29983	33441	39958	32176	11848	17350	27715	22797	26926	38189	17256	17487	56036	18576	39369	16205	45311	73487	107405	107531	16543	17971	9530	11471	23326	25147	20795	45207	28381	30029	124133	104989	90663	6219	16283	16413	109509	94322	18629	16189	26145	52322	11691	6428	30048	39420	107790	124191	39333	34289	118507	115999	109811	116517	107604	100625
C17 H24 N3 O18 nullnullnull 11.406003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	178269	1	241328	57160	71668	279769	59446	146006	167334	212534	1	115463	210097	198155	59163	91317	63570	61804	75422	1	86393	74017	405279	8053	16573	76814	1	85522	1	159219	45926	1	59748	87126	94688	23328	65239	62729	106724	86459	137605	117009	63600	131154	61147	100736	115448	81842	37198	1	113597	70568	12672	16722	1	108114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36102	40265	48766	38419	19661	40696	55470	34219	35747	42081	1	46262	44998	41729	25224	9589	19495	24690	29155	29128	28505	28522	43665	37400	31116	31995	28576	32075	25504	23828	24542	22130	18811	25590	26403	21693	30432	28884	35800	32596	28636	29254	35116	34979	23515	27521	41077	25215	22426	28779	29487	25834	20538	30708	55256	31538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
553.0249@10.285003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13612	11984	14521	13377	1	17948	17326	8281	16443	8544	15570	13502	14910	13919	12559	12774	15082	14754	12755	1	14878	16084	1	16839	14571	16231	15879	15523	14802	14714	14266	17433	16093	13308	14154	15147	13299	15491	13053	501081	15670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
981.6254@0.86000025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11559	9360	10190	7349	11514	14388	1	8879	1	1	11464	1	16085	18911	1	1	1	1	1	13366	8746	10015	13036	12702	12173	11340	9062	7982	17470	22935	17144	12674	15651	13020	1	1	17567	15496	16685	15214	12152	7178	10061	6434	1	8166	1	7353	8835	11204	7538	1	9307	7569	6284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.6614@0.86082345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5772	6248	7040	8436	6670	1	1	6254	1	1	7188	7788	1	1	1	1	6662	7006	6788	7278	5717	7038	8878	7029	1	1	1	6107	6548	1	1	7203	1	1	6162	6798	7434	5999	1	1	6165	6360	1	1	1	1	1	1	1	1	1	1	1	1	7932	10433	13688	13622	6762	1	6558	12960	11385	13171	9683	13373	8952	13926	5638	10231	13503	10794	11343	7704	7407	7231	11384	12077	8435	11795	13209	13737	12302	13075	8791	17343	15680	12007	14022	16856	8103	10687	15289	11718	6730	1	12347	15565	7561	9273	10727	8595	12983	13777	1	1	1	1	1	1	11340	10603	6547	6061	1	1	6238	6544	1	1	6013	1	1	6121	5691	1	7302	1	8237	1	1	1	8790	8451	1	1	1	1	5777	7471	7046	6018	10574	11172	6582	1	1	7058	5529	5791
PE(24:1(15Z)/24:1(15Z)) nullnullnull 0.8510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20554	22163	21006	25227	24385	22580	17596	15891	21180	25285	13958	15147	26315	21834	9282	11636	14393	13885	19282	12798	16510	18329	18651	22166	23404	27192	11461	17201	18708	21519	17402	20066	23433	25044	13399	9508	25158	23922	25214	23740	16756	14653	22960	19999	18392	18266	17130	17573	10885	12953	17827	21930	23367	20880	20461	20555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
365.8117@0.8634307	12570	6449	6531	11714	13040	13316	14054	9596	18548	15623	10669	14048	15771	11823	15850	18418	15597	18271	15296	12663	16367	15690	7117	15207	12186	19034	10606	9890	8658	10609	16701	18319	16842	16181	20569	18257	17601	19751	14890	12813	18051	20192	16810	12295	20417	18197	18964	16917	18509	15184	7411	6005	13128	13550	14056	13522	15459	17401	8201	8575	9286	8700	1	1	7511	8748	9500	10591	7488	8194	1	7084	1	1	7550	6058	6915	10913	6753	8559	1	1	6034	1	7690	6850	1	1	1	1	1	1	1	1	1	1	6514	7276	5997	5713	1	1	6521	5712	6633	6211	7540	7816	6198	6034	5888	6516	6808	5609	18086	18404	18517	16852	12641	13371	20638	20636	18466	17318	18122	18020	17536	17733	18754	16495	14628	18532	20170	17073	15321	18270	16358	19269	20274	16432	17660	18506	16383	17505	19730	21014	14757	17981	19645	17142	19164	19756	16685	20113	11602	9915	18888	21744	14375	10406	16377	19105	19714	19485	7432	7090	7620	8704	7854	6721	11762	9240	8019	8721	7353	8143	9559	12598	9094	8451	10093	9844	9882	8429	8496	8239	6210	9141	9280	8900	9316	7767	10333	6629	8196	8822	9457	9505	9428	8872	9546	8983	10477	10581	8642	10264	6187	7314	6360	8013
672.7592@0.859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8062	1	8889	1	1	1	1	1	1	6211	6760	10062	1	1	1	1	1	1	1	1	7865	8608	8878	8183	6101	1	8462	10418	7557	6782	7798	7111	1	1	9432	1	7171	1	6649	1	8986	6092	1	1	1	1	1	1	8519	1	1	1	1	8885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1023.6969@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10988	10355	7364	12081	14328	10032	10576	11049	7896	8915	9297	9141	12537	14438	1	1	10563	9345	12862	9622	6382	9531	7530	10431	10262	8832	6487	6832	10877	11598	13370	15247	13269	15323	8397	11018	15650	11988	16554	12105	9730	9667	10917	15679	9696	9408	8232	10134	6099	8273	7605	8809	10240	8252	7212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
?-vinyl acrylic acid nullnullnull 1.2149999 :97	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26342	21615	24983	25104	45599	43411	27410	23700	1	13660	24614	18990	30118	28376	31591	23987	28552	35793	22306	25898	35225	35769	38088	37829	46686	49590	22497	30855	51153	44219	50929	47057	32951	37187	21701	30208	46229	51550	50050	51977	28789	35735	63109	62679	30235	31536	28817	31210	22038	24481	37208	43583	42961	29716	49531	40589	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.0733@10.217997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11525	14797	13201	16713	14246	13161	14861	16630	10686	10970	12015	13070	10948	9728	18934	17149	26929	28602	25764	26174	27801	29861	61820	41466	29602	30374	27300	28274	19477	21286	24866	23213	24119	26067	13153	11085	27395	23845	28625	26702	29658	28691	30133	27219	27558	27326	26624	23679	23536	22631	27512	26294	22784	23028	61927	24717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
636.9407@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14687	13090	15312	12834	24501	22956	1	1	11047	11227	17857	17756	21472	23261	10785	1	10280	12030	10207	1	1	1	17308	22184	19597	25690	15606	17508	18713	16143	22461	21192	20241	26647	9130	12350	25412	29338	30036	30386	11680	11687	25218	27357	18959	16854	18820	17913	13841	13038	16487	17908	16475	14608	18997	20592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
951.5187@0.8689998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14805	11529	14441	15796	11780	8782	16845	17165	19100	17282	14494	14851	6644	10723	6950	7333	16440	16230	17831	20720	16293	17458	11067	1	10004	9754	14617	12979	1	1	5721	8281	7907	7109	1	6366	7711	6440	5977	5527	15780	14887	11061	9601	13288	10408	16521	11977	12261	16335	15468	13897	14490	13882	15676	15882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C15 H9 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12708	12003	1	1	11609	1	12651	11673	1	1	1	1	1	1	12129	12185	1	12337	12330	11694	1	1	13823	11014	1	11794	1	1	11026	1	11555	13020	8308	1	14852	11246	13687	15809	16369	16020	12410	12554	14379	17108	12963	13642	14861	14283	14400	17493	15040	15336	1	10646	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H13 N14 O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45750	38316	45826	33828	37514	40154	47666	36559	43997	50950	43622	55707	38274	30027	28037	23713	11431	21012	15371	1	1	14175	1	1	1	1	1	1	18126	16694	15274	19179	18078	16241	19035	22565	17863	24710	15837	22132	16820	18579	1	15126	14163	79594	1	1	23690	20770	1	23918	20767	20008	1	19295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.028@1.275724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107604	98500	67897	83051	80150	76114	70047	17764	17121	84006	65672	70581	131717	263052	73633	63915	114034	114758	110008	116038	20230	29191	155309	129416	58154	54988	93790	92728	204619	203801	75838	179117	240759	219040	67892	76564	106188	209064	93678	201001	25535	27617	177948	72444	117021	115262	39941	16973	14369	95059	17407	102796	21775	114482	1	157336	129591	133988	127473	136448	150713	159201	169060	158074	113816	112134	137231	132115	130366	126419	116060	113542	150616	155485	126302	132614	136515	136658	167552	164843	151054	146688	167207	155730	83795	131779	154624	119249	127991	119095	130153	127776	146949	146408	118901	120907	116278	121218	99635	111667	172511	191063	128111	118345	111815	106534	54557	55797	55872	57761	53971	50748	55128	52856	84301	82158	73131	70659	59259	63993	56363	54593	68050	67740	39014	39681	90271	86120	111093	111081	63947	62784	75662	73896	106510	106822	51953	52234	92468	89754	59538	59649	78401	78401	48370	48675	80311	81307	78662	80336	71112	70961
(Z)-But-1-ene-1,2,4-tricarboxylate nullnullnull 0.9059996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16018	15069	1	32544	27618	21453	19105	19233	18058	11009	11799	12034	18372	23106	11117	12962	9230	16879	30730	26038	28418	15528	38506	32102	36067	34396	21288	18786	279062	230477	43483	41834	18635	18265	1	1	129812	127445	29787	30478	33491	11686	23660	57724	1	1	5746	6155	1	1	24338	25140	1	1	24530	21321	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
743.6178@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6686	1	6855	1	9765	10982	1	7872	6858	6971	1	7035	8589	12456	1	1	1	1	1	10108	8717	10343	7923	10430	6986	8262	6379	6543	10396	10061	7472	7694	9767	9577	1	1	8744	6997	8081	5669	1	1	5556	1	1	1	6611	1	1	1	1	1	5798	7304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84400034 :98	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7422	7728	5846	8524	6746	1	5718	6291	7127	6778	8705	7147	5874	6831	8338	8569	6824	7607	6426	1	1	1	1	1	7351	8622	7337	5498	1	8547	6444	11038	11635	11077	7266	10643	7961	9351	11187	10283	9812	9812	11052	10561	10375	11395	11087	9159	7756	8735	7386	10749	10659	9373	11516	10549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
160.1101@6.603819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	132589	1	1	135376	123017	1	125788	107807	86665	119947	115928	113747	112482	111858	120665	122514	104668	129623	1	128468	305817	104383	1	1	1	129607	125060	1	140655	118349	128490	1	122095	87687	1	389978	174758	157072	1	1	416486	1	169992	163269	150257	258496	166031	422560	160718	1	1	1	136111	1	1	1	134539	1	1	1	85819	145922	191237	171291	56705	1	96963	80481	1	101206	163720	1	1	193209	252307	196790	256853	74023	1	1	217306	180471	443652	220443	1	168561	171857	1	1	195180	1	181787	183881	169516	434851	213771	177388	121235	461343	43893	1	1	79108	96355	196647	1	1	31278	396446	66309	517292	1	148516	233503	1	467123	162876	42136	55942	47907	1	92376	196032	1	1	1	90009	1	203895	1	84642	207613	476014	219432	1	1	1	212513	1	1	1	1	1	1	1	130154	197967	181915	168600	512148	164444
149.9911@0.9539997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28811	27613	27170	25035	20406	19050	27759	26433	28982	30731	26784	27211	22408	19760	39102	30045	42843	29840	44808	58205	37774	36893	9802	11274	22820	8888	33958	30305	10270	18014	16096	15378	20107	22802	60976	32875	25355	26050	30054	11224	34942	25789	29510	27823	20959	30729	41538	14575	39182	39894	1	24814	36408	30474	12063	34584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8409997 :99	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7509	7618	8542	7623	1	1	6758	8921	9213	7657	8105	9105	1	1	17226	17015	15400	15244	9945	1	1	1	1	1	1	1	9247	7786	1	1	7149	6527	6507	7968	7798	12217	1	7158	8784	11229	15828	18282	9573	8490	16283	16048	13674	12143	15880	14851	14772	16592	17467	14904	17057	17221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.7233@0.85199976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9009	8509	8681	10459	16773	13350	1	1	8908	10396	6488	1	1	15885	1	5719	1	6848	8968	1	1	13149	11854	10056	11213	8921	1	1	13845	14116	12687	7931	10721	16589	1	1	16765	14701	12667	10253	6542	1	11000	7949	7185	1	1	1	1	1	7046	7304	10241	8074	10073	11373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
231.063@1.097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120082	115229	22284	18043	111300	106785	115317	114396	11796	109389	22385	21709	35518	38604	98445	9714	17834	17662	11439	108883	26674	26842	75006	73003	68365	75132	40544	41404	107969	40806	53605	45278	51787	50122	7552	19302	62379	52019	80606	81027	20139	17976	69522	64938	27249	26020	32077	38851	31263	30770	47464	40700	36537	30816	46947	39239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
301.9784@0.8507892	1	1	1	1	1	1	1	1	1	1	1	6885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7590	10607	10054	9366	6862	8815	10553	9549	8466	8556	7933	9558	6409	8432	1	1	7759	7177	8096	7787	1	6681	8006	7773	10288	10024	10035	12408	33188	18228	47113	51879	108939	102638	19002	19219	23016	20090	17551	15838	108972	105963	27781	31618	24564	25274	22505	9913	37455	42050	85621	86939	80242	83780	14745	16449	114213	112030	108460	113958	112325	110623	52415	76726	126915	128521	116871	117371	27629	29572	112062	111529	34358	71873	64854	68361	24904	24124	28783	29232	34080	30656	87572	39265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
10-hydroxy-2Z-decenoic acid nullnullnull 8.008544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	156305	1	35877	1	31434	124116	1	1	1	1	77807	38116	56789	86120	33356	149704	177887	55001	17024	255398	1	175017	230010	223755	29598	39373	21401	51430	73727	104137	137444	80265	1	109659	130247	150624	46610	88197	72227	45491	89029	249113	146051	174551	124988	97408	1	74148	206314	175696	90588	221208	2045137	113037	89872	1	1	1	33022	1	1	102450	1	1	309243	276262	1	1	142232	272605	1	103648	1	61150	1	1	1	1	43015	1	260658	1	1	1	1	182734	151566	1	271194	1	172362	271726	310120	142981	252735	1	1	1	1	1	93767	130181	156010	1	1	292058	91686	209978	1	104447	180115	87428	267749	162984	1	1	1	175049	50925	29146	1	39449	1	1	1	1	1	1	50110	1	1	1	301761	1	60251	152211	1	1	1	48038	58895	310430	1	1	1	49652	1	60008	1	141405
685.681@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7576	9910	7133	1	1	1	6386	11223	6106	6879	1	7681	12530	13578	1	1	8648	8999	6824	7347	6375	1	7548	10433	8727	8949	1	1	14419	14214	1	9465	11558	1	1	1	8688	8485	12214	10805	6592	1	10601	8065	1	1	1	1	1	8910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.88108724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18224	16403	13963	16996	14121	16110	15450	15231	13820	15189	17212	19950	22700	24363	20381	20467	16249	15821	12563	1	14958	17832	22796	23085	19392	17197	11906	15903	21799	23696	21863	21798	19654	21867	18980	20223	21440	24659	20763	21348	17900	18184	20020	20436	19918	21857	18045	19458	15570	17786	21716	21518	18702	16031	22247	19754	27475	27154	28957	24975	23977	19384	25708	23512	25404	29048	27832	23304	26228	25828	29620	29058	24499	27441	32320	31841	30187	30686	25133	29134	32181	27304	27254	27035	31963	29395	27153	26853	28985	26478	25115	26008	26417	22733	23295	25554	24917	25594	29697	29666	25200	22545	27142	31689	27509	27740	19192	18388	22074	21112	23017	26535	21546	19112	22449	25931	20778	23153	24144	27537	24260	27104	22394	22089	20837	25354	21455	19216	25245	26810	19274	20583	19966	20158	18481	21947	22906	25648	19680	23129	24345	31135	19217	22360	28610	30487	22731	24223	20708	20210	27647	23434
981.6227@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9290	7786	1	6732	9965	9491	1	1	1	1	9093	1	10809	12470	1	1	1	1	1	8630	8731	8273	9441	9683	8241	9100	6753	7396	15094	16953	12015	11095	11915	9639	1	1	11241	10968	12294	9979	10734	1	7347	1	1	1	1	1	1	9122	1	1	9262	1	6562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
367.9462@13.387799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58047	57606	37689	46923	47598	1	1	1	1	1	1	1	54966	1	66947	1	1	1	1	1	91527	1	21598	1	1	114748	1	1	1	50586	59831	1	40625	94400	1	55105	57741	25361	170479	149083	188586	120589	154109	110401	1	1	1	116914	1	1	75151	1	1	1	1	1	18315	15467	18458	69496	135381	79471	99680	63348	1	1	99347	19563	1	1	24453	111480	1	1	93211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	178918	32568	1	1	1	1	125267	1	54504	99945	1	1	1	1	1	1	1	1	1	1	1	23065	1	27399	42431	201203	1	143501	41404	1	1	1	1	1	115696	1	1	26979	1	1	1	1	1	1	1	1
<none> nullnullnull 0.7868332	24790	23266	20463	1	28185	19339	13968	23875	1	21310	23699	20070	22628	1	19582	1	25918	24631	26538	23527	25574	12360	1	25775	29789	26626	27238	27554	21097	1	24956	22051	28097	26795	30278	25183	22313	21308	27971	27431	24461	24496	19143	26877	21727	23742	28204	28655	32498	27699	56322	45707	33179	31059	26264	34492	29879	17457	27662	26575	27210	25071	29203	28639	29140	28381	27910	27050	31133	29956	30380	29052	27596	1	26820	26910	27453	23735	23280	27630	24553	1	23956	1	23158	21955	1	23131	1	20828	23526	23168	150374	23956	14451	30283	27579	27079	29096	27484	25566	28476	26669	24551	25446	27975	23266	25537	28344	29292	24376	21785	1	27447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.9987@6.4295564	60135	51697	56269	52012	50677	49642	52303	48393	51745	50550	55099	61855	63397	59687	55027	54802	49930	52692	52236	49733	49226	49442	53788	52715	52277	49133	48458	52558	53718	46638	50164	50150	48835	53084	48674	47422	50135	49816	50453	53014	54578	49372	50654	49561	50264	53353	52947	48908	49965	52065	61248	61724	63483	62478	56578	56562	55873	63783	43994	47118	42822	44575	45590	1	1	47486	1	46160	40333	1	1	45119	54008	47736	47118	48341	1	44844	43922	1	47237	48516	29994	47618	47684	45304	45475	49059	46468	45699	22984	1	46273	59571	1	47107	43410	44055	1	41382	42705	1	1	1	41677	1	39161	1	1	1	1	1	1	43395	55618	1	1	50970	53699	51529	51122	46722	50691	48662	51637	49063	50327	1	1	1	51055	50927	1	46070	54381	52658	55663	55523	48926	55243	52313	47884	52981	53181	51189	54495	1	55019	49967	46970	51405	50376	50705	49543	57308	49928	1	48131	48366	48071	47765	49016	48156	49228	1	60761	51850	56304	51838	54972	53754	61759	54654	54197	1	56214	54200	51442	51976	50100	53899	48649	31083	52441	57409	60399	60764	51913	58436	53696	28764	61852	49550	49422	52403	55438	57015	1	34690	53471	53596	23866	46143	47541	57462	54195	1	32107	48653	59102
C21 H28 N5 O21	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45408	23157	32320	26206	41605	20351	31422	22786	32487	31575	30570	32545	26540	17717	15458	17076	33217	11807	15511	34879	25107	30407	1	22106	82126	266513	22021	29258	35612	16561	16287	27704	24306	72418	19110	24170	34102	25998	40515	18771	28858	19184	36263	50786	26741	29255	36302	111924	44145	23781	21212	44776	13202	25194	62991	28447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Ethyl 3-hydroxybutyrate nullnullnull 4.456802	89452	1	136346	151451	266448	260809	1	250018	298826	1	1	217813	244155	247483	199672	1	242332	110894	230802	1	51487	1	297060	89368	118113	313931	82134	171601	268246	45449	230473	1	299048	44189	97688	1	280902	266517	321514	295094	1	246263	291539	144672	247635	240843	1	270481	1	280015	47506	324149	353479	321552	79676	1	342802	282386	84340	215993	100981	163522	81466	141913	163034	108191	132788	155185	1	159598	167665	157980	170048	174864	115268	158497	163222	85665	214939	79370	189553	111214	53936	178976	230277	182990	60180	158029	206754	178188	150082	175572	1	82749	239775	242489	228300	221402	110463	230334	227821	217428	210960	217805	207899	231011	233891	214030	222527	234749	227909	211069	119593	202477	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H2 Cl2 N O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11264	142463	7235	7502	115256	113843	124684	116562	132404	125271	8363	8854	7288	7028	71502	82128	101458	90787	97759	7684	163354	150207	142948	131466	143386	130928	105952	97812	108125	103035	97200	99018	102627	100394	66902	66432	95406	110367	101163	103485	103736	7116	96280	93373	102946	7388	6766	6886	95032	83513	7306	102677	102203	92529	86194	102643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84700006 :100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9446	11182	8901	10780	7304	6769	11300	12462	12604	10037	13137	11111	1	1	8870	9673	12570	15570	10577	1	1	1	1	1	8428	9311	12244	7525	1	8272	8356	9054	9059	11075	9254	8691	9647	10574	11686	13885	14539	14922	13284	10642	12830	13723	13884	8848	14813	15267	14064	12928	16620	14372	18432	16783	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H3 N O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19143	19151	16888	16975	15920	18383	18318	19690	18579	16997	16260	21798	15705	12262	12214	12426	19877	18550	17057	18654	15166	16188	11030	11912	16757	16296	13453	15203	9654	11300	10999	11324	10976	11267	1	9621	14008	13735	14102	16026	18975	20386	15469	14392	17623	16955	16714	17167	19226	17908	15349	18610	18343	17443	17136	16089	1	1	1	1	7101	6253	1	1	6862	5879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5488	1	1	1	1	5659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5662	1	1	1	1	1	1	1	1	1	1
C30 H22 N3 O17 nullnullnull 11.651999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40532	52222	196083	45331	36196	21289	51172	49238	35572	41854	24057	47439	26768	23417	27515	26020	26376	27828	26644	26798	31424	30163	53012	28542	30207	26014	29972	29053	30714	38658	30702	28487	26744	67531	41074	34557	22806	26508	29065	28201	31286	30716	39217	30466	24316	116610	26304	30647	27908	27452	34624	30009	24791	26847	49864	28338	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
888.3331@0.8570001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7579	6998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7036	7432	1	1	1	1	1	1	10215	1	1	7298	7894	7860	8286	8914	1	1	11679	8254	1	1	1	1	1	1	1	1	6697	1	6641	6032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
916.7868@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10282	10515	13602	14250	1	1	1	8877	8283	6250	1	13687	10040	10044	11020	9687	7983	1	1	1	1	1	1	13040	7734	7266	7463	1	13375	11018	12975	14268	14834	15182	15093	15613	14273	18338	13671	14045	19428	15535	16568	16629	16136	16873	10488	9259	15810	13461	16047	14284	22239	17973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
118.0632@3.9899995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6604	1	30069	18273	1	1	1	1	1	1	14534	22434	1	1	1	9853	1	1	6733	12486	15250	11687	13867	9197	1	9866	45127	46904	27365	26276	11119	9578	1	1	18746	22447	9378	8871	9591	11576	26129	26969	8885	16588	1	6897	1	1	1	1	9364	1	7432	10120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1097.6721@0.85000026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9111	9024	7705	9486	12207	11903	9046	7081	5645	7048	1	1	1	11632	1	1	1	1	10883	1	1	1	1	10953	13169	13177	1	1	11183	16777	11489	13577	16478	10942	8170	7356	14587	13637	13151	13900	9536	1	13025	11689	8259	1	12424	8462	6005	1	9300	8676	1	6490	8090	8433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.9957@6.4523697	810920	826134	766850	518769	1	756425	697972	772936	738323	777342	880648	833650	837020	811399	780980	744050	758190	728170	712989	743037	725758	815858	711186	762336	694302	715810	770976	770210	774907	725976	742545	764399	1	735594	723257	777240	758395	777112	799750	758635	734477	758690	725489	745820	732414	733550	720692	706011	748756	802469	871084	827466	868439	277068	824996	813748	855871	847268	656885	429942	666142	446998	716712	649820	669905	406602	299861	627196	409964	363123	432181	413556	722431	446964	678142	650118	420340	658397	447865	670354	452955	730801	486297	780841	701637	445377	468122	440556	427356	418129	440239	420310	703912	944638	635086	490959	97254	431727	604424	606064	393442	635384	581351	396130	623527	585197	588374	579540	569678	398792	621845	360565	116836	386917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9331@1.3919998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23331	20013	22088	25201	24794	1	30686	18668	20158	21889	20424	29149	1	1	17810	1	19678	1	29245	20591	27110	24024	28001	19242	12379	26528	23000	1	23645	1	1	1	1	39733	27463	26702	24091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H24 N3 O18 nullnullnull 11.352524 :101	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	178280	135456	182087	139951	163005	163316	15456	125920	147768	145830	171988	263544	220769	118465	40894	60757	78783	49539	53701	46931	59905	96376	76885	58322	142424	81780	91408	65073	67426	107778	50206	53540	42335	50444	1	85361	68139	50147	46830	55058	66353	109811	135564	39367	127572	68056	91437	60451	140663	54150	67515	41013	56543	65161	102674	1	29518	45119	29917	27125	60834	24421	43607	50437	75479	44504	46986	21686	46530	32282	32694	65099	92293	37595	79427	45724	64983	98930	51422	48259	41736	36888	61420	49289	48723	44546	21504	24992	27435	29568	42555	65820	43140	33742	39177	72928	33385	31813	52976	43204	65316	39256	56148	30912	61871	55558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
370.9854@0.854	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8300	1	8594	7159	12901	10998	1	1	7076	6719	13913	13454	12606	12024	5670	1	6579	6481	1	1	1	1	12486	10916	12817	11851	16067	15207	1	1	10361	10010	10100	12753	6277	1	11543	13288	14721	14533	1	1	11431	10903	1	1	7771	7622	10914	11085	8264	6839	8012	7185	8617	6814	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
973.768@0.8417983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17928	18063	16414	13259	21062	19453	19883	19756	18318	12950	14094	12140	17002	16056	15432	12933	16583	21505	16345	8546	1	1	13617	12301	15750	16310	15361	11474	16898	22825	23163	25288	24955	22195	21031	20006	30949	26409	26774	30258	19195	19025	27964	25037	24027	21889	19388	23919	11118	9695	18363	18861	16844	22429	23226	18047	23619	25605	19589	21394	23146	25103	24632	22707	18510	18518	27472	24474	23091	22023	28995	30442	26375	26174	29219	27233	25217	28213	25146	26338	26913	24897	27059	28699	25821	26155	21544	20699	25004	24181	17094	20134	24512	27273	23555	22146	26088	23115	16729	17737	24517	27369	29697	27384	19904	19913	19823	19384	20689	19902	19403	19167	14241	17052	24299	22127	17663	18165	25582	23950	22398	20185	19648	19159	17481	18064	19479	18614	22680	23790	18427	20476	19803	19563	23769	24567	18382	19504	21839	23144	20220	21618	19100	19251	17359	16686	22308	19681	19138	19812	23442	23983
718.6959@0.86	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8897	1	1	6021	1	1	1	14921	12584	1	1	1	1	1	9123	6780	1	1	6986	1	7300	6180	1	13099	11607	8103	6766	11776	8443	1	1	10486	6176	8176	10622	1	1	1	1	6084	6921	1	6460	1	1	1	6048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H15 N O10 nullnullnull 1.5368916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6555	12371	1	11050	10271	6307	1	11136	12177	1	1	11573	12077	10366	10387	1	1	1	1	9267	7683	10617	11143	16962	13283	1	1	22205	32872	17677	15189	11929	11942	1	1	35456	36982	15026	13310	9428	8035	19273	20160	10805	12898	8546	8298	1	1	14035	14576	9564	14814	21084	16852	11980	13174	7829	7115	8192	8430	10187	9635	7360	7733	9194	9939	10810	9274	8364	8756	11460	12020	12569	12186	12132	11544	10996	11000	7461	9233	12238	11727	8253	8760	9326	11431	8271	7984	10052	9804	10838	10812	13521	11876	9154	8145	9718	9865	15662	14313	9305	7954	9671	7334	21891	24156	20525	22536	19595	18358	14602	15251	37656	31904	23526	25113	42940	38446	21456	18858	20539	22867	16944	18452	32667	32127	46109	45327	25676	24910	31441	30161	51368	46716	21138	20463	40834	39873	22829	24809	30623	30194	22977	22678	31849	35268	32976	35447	38265	39878
1057.5308@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9071	8482	8275	6359	1	7554	7358	8400	7022	1	7626	10972	9009	1	1	8569	1	10038	9312	8279	1	8625	7179	8355	7481	1	1	7383	11891	6353	7052	6442	1	1	1	1	8329	8321	7715	8295	9659	7459	1	1	8595	1	6856	1	8258	1	1	1	8133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
368.0826@0.979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13489	12178	1	1	1	1	1	1	15994	16639	1	1	1	1	1	1	1	1	13846	11620	9934	12667	1	1	14033	14363	11499	12021	11740	12445	1	1	14096	13241	12089	10566	1	1	9493	9337	1	1	1	1	1	1	1	1	1	1	7052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
533.9334@13.041312	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	632979	436616	1	132993	1	1	1	1	139665	132462	1	1	1	110119	61310	354010	340478	49598	1	65113	42374	1	1	98199	1	1	40880	1	1	1	1	1	1	1	142297	1	122862	231344	1	1	156846	1	1	1	56359	1	134498	1	152999	1	98038	1	162393	1	99079	1	1	1	1	1	1	1	30922	1	1	74853	45704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	402324	521504	69426	351191	191971	1	1	1	168316	1	417703	446148	480280	1	239726	50510	347104	76240	152838	1	367768	1	230035	81062	169873	1	1	1	1	1	221664	1	1	96913	1	57936	386760	282463	116416	35099	1	1	387117	401792	314388	1
S-(Carboxymethyl)-L-cysteine nullnullnull 0.9461139	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7164	8115	7918	1	1	1	1	9986	1	1	1	1	1	10240	10016	13426	10089	12398	12108	9795	11129	7797	1	10988	9147	9015	8117	1	1	1	1	9223	1	1	1	10383	9975	11145	10440	10327	9944	9705	8369	1	10919	11364	9582	9867	9480	8874	8857	8986	8486	23403	13943	15439	16136	25934	23915	23480	20894	27325	26258	18053	21364	18852	20755	19343	18540	14649	11595	21682	21981	1	1	13286	14030	22157	21532	17671	15940	28784	29375	1	14064	30631	30344	22339	18511	28659	28466	25983	28273	20098	21542	1	1	17527	15043	30251	31667	1	11792	13160	17409	10234	8842	10394	9718	1	1	16955	16834	12607	1	12723	12980	9058	1	9176	1	10747	11354	9753	8518	12621	9092	14090	1	12057	11783	1	9028	15789	14617	9828	1	14549	12663	10341	10340	11051	1	8401	1	12469	1	1	1	1	10561
Methyl jasmonate nullnullnull 8.700996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29524	40213	56565	71193	31415	18550	71513	54010	24172	24755	29104	16273	34220	18803	83441	88055	54684	48651	48413	45456	65921	96538	48523	31848	44146	40294	34819	35810	1	1	14714	1	19780	23297	67185	58630	44032	59866	31257	35981	72580	75730	49332	37245	82598	55884	50391	64096	16117	33271	74934	84887	38096	77844	230721	62666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
988.814@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7940	1	8544	1	1	1	1	1	1	1	1	1	1	7461	9160	8736	8609	1	1	8474	1	7812	9902	14089	13195	10731	10663	10535	12146	11918	13590	15209	11836	1	8575	10073	12749	1	9391	10655	11084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
747.3783@0.8409998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6217	1	1	6061	6664	6295	7684	1	1	1	1	1	1	1	1	1	6319	6462	1	1	1	1	1	1	1	1	1	6932	1	6795	7420	6781	6207	6670	6416	6001	6079	6511	7906	5583	6522	6958	1	9366	6427	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.1102@6.8134418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71288	1	1	29951	1	1	1	1	71544	20615	66718	54197	1	1	1	1	1	1	1	194384	30448	1	65634	1	212498	75916	76154	184592	72071	61050	1	1	1	11757	1	1	1	55124	100046	15508	1	1	1	1	1	1	1	58800	1	22225	1	1	1	1	1	1	1	31517	1	1	1	39144	1	41675	1	39253	1	1	44730	1	1	73882	1	1	22652	1	29764	46825	1	1	1	1	1	1	1	57786	23507	1	1	1	1	167694	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29814	127901	1	1	1	1	19467	1	1	1	1	1	1	1	1	1	20165	1	25429	109295	1	29450	1	16616	1	78558	1	1	1	1	1	253804
114.0318@1.6300002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	150107	436371	458850	460434	479755	416030	453246	397823	190356	156463	304234	274766	137054	133073	123069	102574	30802	48815	57900	39910	30094	25457	15582	16724	23137	24836	23370	32886	46106	49890	36980	42820	85778	93937	81694	85418	82443	94177	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
846.8068@0.8419997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8825	1	8114	1	1	1	1	1	1	7232	6664	1	7672	1	1	1	1	1	1	1	1	1	6477	8373	8020	1	1	1	10934	6903	7391	8624	8056	13079	7402	9787	10152	10387	12414	11015	1	10776	11118	1	6183	6396	7972	1	9917	9417	10765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
931.6317@0.85899985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8943	1	9317	6732	11205	8153	1	1	1	1	1	1	15147	13118	1	1	1	9133	1	10618	9055	7283	7650	9451	7504	8658	7834	1	8149	9450	7200	1	1	11295	1	1	11581	9716	8838	8291	7235	1	11004	8844	6671	8469	1	1	1	1	1	1	1	1	6950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
228.1726@10.034612	1	67542	59433	112277	1	1	1	1	1	1	101206	1	1	1	1	1	25094	1	1	1	1	1	1	1	1	100876	165041	129597	1	57286	1	168764	16733	88439	160898	1	59605	1	1	18595	254634	189950	1	1	125945	49863	1	1	168126	77907	88730	1	259574	22728	213211	18576	107586	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74129	34679	89515	101637	1	1	1	1	1	1	1	1	1	1	1	39728	112170	152517	117577	162467	1	1	1	158904	95096	1	1	83752	54681	56368	1	1	191208	959855	178786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
896.3228@0.8460001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5974	7062	7587	1	1	1	6073	10209	10096	1	1	1	1	1	1	1	1	6071	1	10048	11511	1	8599	1	6326	1	1	6931	7756	6701	6753	7056	8350	1	7420	1	1	7656	1	9718	12173	7025	1	7317	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Protoanemonin nullnullnull 1.5589988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55605	54923	40111	42217	207853	207320	48524	46085	47174	53742	15290	25816	98732	106618	38517	35762	38925	37144	35337	33153	55021	49536	152836	143940	144507	149514	24817	24013	331524	335793	191121	189849	127445	126341	1	31563	221233	217834	137982	150540	54542	52784	229127	214894	46335	53790	50072	48144	40340	33921	64914	66952	51715	51743	67595	85348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
119.9759@0.7929996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16614	17122	6924	8122	15302	15373	13293	13039	17550	17180	11079	10482	13943	12975	11375	12713	20674	23066	19156	17411	11865	13457	1	1	13272	14973	14384	15528	12846	12525	8810	11690	16883	16895	7768	9660	20785	22672	21096	23281	27010	18845	24187	23805	20934	25402	25223	25785	29908	21453	13613	14259	25490	27099	24239	33775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
938.8044@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11329	13597	9000	9074	10231	8238	11949	10224	14083	12793	10965	7736	13996	12589	15405	11897	17092	20096	13047	1	1	1	9009	9401	1	14137	10419	11620	15215	11648	12577	12440	13531	11689	1	8437	13060	15057	17052	14892	19621	16278	10978	13795	7893	13307	15347	12414	18733	21276	14137	18637	16323	18958	21799	15880	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
733.85@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10909	9054	1	1	1	1	1	1	1	1	5952	8502	11047	11875	7365	1	9352	8282	9187	1	1	1	13139	11173	12247	11970	6686	7804	14114	16475	15241	11624	8892	10248	1	1	11707	12771	13339	10824	10690	1	1	1	7316	8933	7654	6084	7365	9616	6643	8206	8226	8141	10845	10243	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1054.3@0.84437716	17322	16689	19866	11652	22287	21009	14296	17570	15028	17953	20155	19917	19651	17951	17221	17756	16767	14138	18468	18395	21053	18618	9477	12018	18589	18496	22641	20162	14677	16420	31672	29594	31004	29063	35751	28191	31728	34268	31636	33770	29536	32245	31130	31869	32866	30380	29825	29044	33892	36348	23083	24535	33824	30223	37204	35406	34367	32703	1	7253	6166	1	1	1	7279	7078	6693	8427	9275	1	1	1	9115	9251	11569	9986	6184	1	1	1	1	1	1	1	1	8531	1	1	1	1	1	1	6738	8307	6341	6912	7420	7659	13218	10658	9164	8621	10320	9223	8800	10489	13284	10254	11213	9323	9046	10970	14369	13856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H4 N O24 nullnullnull 13.394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31764	90001	21950	35516	22682	69594	52522	50860	20421	40801	49192	17307	1	84365	48039	118323	48994	56665	1	61022	25304	41467	292272	1	301153	31765	132060	157815	99004	92146	97322	14533	31492	27932	75346	54844	100295	67697	122336	66793	102377	16827	122983	34145	101939	64460	420186	235519	22594	49735	146644	188266	18149	103283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
894.2997@0.84299994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7130	1	8895	8956	6961	8245	6059	1	7074	6911	8147	9115	6344	6412	10596	9729	8461	9337	7381	1	1	1	1	1	6892	7393	7255	5920	1	7430	8087	9384	8973	8953	10244	11876	14759	12238	13984	13308	8346	7824	13674	12667	10090	10950	11510	9325	10693	9545	7791	11408	7895	8256	16425	12643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H3 N4 O5 nullnullnull 1.2690978	32185	36604	47138	56863	42582	34965	42021	16698	36563	36095	33598	33631	35631	32461	36251	34808	41420	40768	35116	35735	29299	31870	43797	58844	49855	44696	40250	39860	51187	53707	21547	19036	20707	20358	16737	16698	18149	21604	16814	16519	19730	19989	22046	17877	15133	14669	21272	24498	12017	14145	13663	16927	27621	29346	16590	18413	22987	19925	23200	17901	17769	18197	18980	33440	15381	15337	24576	20108	16513	16115	18437	18780	19705	23228	23650	23417	13653	9666	10872	18593	30648	35864	1	25800	13564	12753	57021	60076	42612	42230	56695	60165	28727	21017	65723	63860	23461	28370	26608	19847	43036	22906	32380	21456	19606	44509	19060	25811	34403	19474	32073	33334	53313	21812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
131.0952@1.8289999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25205	23285	1	1	1	1	1	1	25245	1	18269	1	1	23618	1	1	38763	43301	53977	56123	29978	51291	1	1	14699	58054	67892	61171	43545	44861	78720	28303	143004	147298	80805	78545	47684	49967	116562	109995	42084	44339	72800	63390	22165	26541	47846	48441	47486	50721	114180	100544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.0029955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46259	61160	39144	46512	76542	35390	53153	45749	47381	30126	39500	19635	55806	45759	1	26631	28315	32040	1	41882	42762	22545	68606	70319	21225	19908	26942	26169	34274	38657	22634	23147	22566	34502	24067	44022	36233	43454	46127	27642	24373	26337	42672	28131	24725	36360	43840	34230	25096	23657	46628	35052	25608	33277	89995	22336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H O8 S nullnullnull 2.8887203	41066	37180	48466	51439	45220	49355	37667	65026	15748	83695	47985	54786	58103	27682	20862	65236	42422	1	36682	50092	80904	63743	38748	95144	38867	45536	101209	75015	36235	46696	26557	62066	1	37060	1	51336	1	1	41776	76588	65912	1	107294	46664	1	88926	40863	38896	40788	41887	96532	13958	43495	77148	67497	41899	97315	85719	1	1	1	1	1	1	1	1	1	1	1	1	1	113610	34613	57632	41841	51023	114800	63619	74992	51067	92672	127693	75747	54577	68424	61746	121284	81856	77262	63062	1	86908	1	129499	50842	97638	54804	64902	116165	74027	50799	70609	97376	48859	94994	111015	1	145040	47929	114284	82259	47798	1	37738	91189	131166	75198	65649	94201	50179	48317	62502	92129	81898	95470	42840	103516	70767	158616	61806	88209	70171	32955	96067	50759	51734	76872	106959	96175	70098	101449	70080	43051	54997	79156	76194	28890	104344	63669	57900	28418	43405	61725	57336	72731	22635	95581	59214	48366	153263	25623	69635	81189	91759	76190	99764	35793	88980	64071	36536	111809	98572	70046	48027	100363	71400	72149	67036	88900	113717	109523	29070	104170	125983	157275	66673	201366	103624	92794	99257	143334	61072	127870	122954	75119	100817	60662	52022	38329	68518	74507	121708	90239	94620	108689	92778	54528	139285	63906	85903
259.9234@0.80062693	14589	18017	9535	17377	12957	10055	8946	6575	32188	12412	9474	24169	29588	29435	9775	13383	14010	13915	10581	27387	16226	8469	6763	9045	8738	21754	8800	6686	11537	11006	10015	12583	13556	16927	12883	13557	33857	14186	12296	12801	13731	15027	15271	11414	27115	22596	29191	7935	8015	10785	28678	22004	14585	19365	12968	12978	14564	12605	1	36445	1	1	1	1	34012	12366	1	1	1	1	10409	20348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20756	18294	32073	28785	8409	25766	11020	20974	20660	19425	1	26452	34765	40390	25590	11467	23423	18363	34480	40505	8979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Taurocholic acid nullnullnull 7.256002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22051	24361	32631	32869	40689	41726	20268	20164	15877	15096	16378	16898	109029	112965	16353	15343	1	1	18293	18448	18607	20638	33397	31397	46589	47443	31944	32287	63638	63242	110522	109926	76422	78676	1	1	78335	81473	140015	139682	23832	24446	207645	211358	30456	32219	12614	13339	9169	7735	9748	37414	20849	19368	35971	10215	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H13 N5 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17709	15602	19302	19763	17560	17317	19236	17356	21030	21750	7446	21308	16311	16225	17004	14584	22817	23193	22406	23346	22305	25152	22289	20486	22929	19717	21845	21645	17539	15860	18512	19413	18986	20900	1	13144	23918	26149	26313	26858	31082	29559	26783	26396	29896	29127	29138	30965	31634	28251	30999	29677	29936	29685	38545	31981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419995 :102	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10826	7645	10064	11602	7896	8544	10289	10224	10919	10015	11901	12060	1	1	17177	16683	22504	18308	11702	1	1	1	1	1	1	1	11820	12442	6227	1	7623	11893	10306	7746	12934	10972	12518	12653	12608	17009	18295	20091	13846	14138	19513	17676	18149	18230	17243	21371	20450	17286	16505	17924	24996	19568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
700.8708@0.8439999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7198	1	1	1	6780	7632	1	1	1	1	1	6495	8676	11158	6675	1	1	1	1	1	1	1	6161	1	1	6646	1	1	11706	13902	13357	10582	16175	15180	6788	7326	17074	17752	14254	14783	1	1	10740	1	1	1	1	1	1	1	6877	1	1	1	9493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1000.5842@0.8670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9144	7790	6592	8311	9137	7497	8334	8891	9204	9619	8459	9113	6368	7571	1	1	8892	7996	6953	11533	8031	9762	9746	7481	8046	5976	7022	8342	7024	6623	6482	7805	6191	8461	1	1	7196	9190	8658	9105	1	7915	7643	7592	6693	6103	7419	7518	1	1	1	6401	6965	8526	9700	6237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Tranilast nullnullnull 7.5759993 :103	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35241	34558	1	1	1	1	1	1	18269	18653	32766	32062	20404	17446	37432	38348	34699	36750	85424	81528	83406	88815	106015	101679	29751	31662	22010	24560	36646	30157	24068	24970	1	1	40183	37420	89017	78135	38035	39164	74811	70930	49191	46648	56574	53357	39617	34294	62614	62241	62212	59892	56549	55942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H O9 S nullnullnull 2.8997118	50231	35317	151310	156326	129754	64358	72482	102297	54326	125355	97476	1	137904	150287	102235	13288	72546	182760	47815	121675	71087	77860	147986	51931	76662	80979	49649	161412	146540	69785	135569	44038	108478	151280	51517	133832	68882	49208	52853	136981	63549	59337	113388	80043	59081	77545	148131	76628	67599	162437	48505	28529	1	54552	148387	64102	77902	88929	41471	99732	69879	51703	105617	107411	99393	49275	52254	76827	34042	39567	120773	30469	63608	141855	70675	116248	95634	24233	48398	188121	68580	105387	82952	32858	145447	122105	53641	179838	1	127384	106086	195315	248679	149319	249909	150901	101107	151502	201982	84878	88212	78329	97291	194766	191037	92123	124298	47412	156214	113296	103254	151459	1	79932	148809	109872	118953	113720	94667	98595	156610	224283	64560	67996	31856	92266	55803	64438	53769	81240	99968	169351	138494	165781	81250	143674	68226	85334	66021	66090	168221	35655	75195	35905	71385	56247	172389	94324	99305	109400	129885	110167	101223	28537	67819	143869	99601	63096	143135	79963	116726	120236	135964	56903	204965	49756	123055	123032	86668	111115	66457	147139	166293	46111	190982	203465	70622	62047	97148	94948	89437	163924	90540	234825	64166	102233	160999	111600	105809	123402	94378	145691	100722	66555	294112	43893	81605	179813	93262	74974	115771	90528	120256	119033	105202	87495	72713	23380	89750	103872
Piroxicam	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14325	13399	9226	8563	13915	13256	11933	12727	13796	12713	7523	7887	12036	12245	1	6400	15376	15934	18310	19724	6546	8538	1	1	9181	11568	7439	6747	13188	14742	6966	8259	10953	10130	1	1	11231	9565	11341	10394	11375	9291	11134	11950	6675	8294	7686	8111	11661	13909	1	5908	8984	10233	13042	12481	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
236.9335@1.3929999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23786	19279	22072	25201	24713	1	30602	18668	20158	20236	26619	29149	1	1	1	1	19678	1	29245	20714	29934	27691	28001	21595	1	23956	21621	1	26414	24791	1	1	1	46842	40964	19716	1	41851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-hydroxy-2-methyl-butyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14001	27916	7436	9027	28648	21926	29602	23127	17397	20589	15279	19801	12070	21681	17949	8452	17300	7809	31435	12339	8042	13115	12069	12089	15565	9029	23171	13822	36518	46457	25533	25453	10091	9749	33839	1	18085	22267	17748	21580	9723	9401	26037	26217	7149	15430	26175	6653	16036	20651	21749	10386	9559	34090	7976	13143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8860004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19963	19810	12692	15859	16735	17120	19849	18376	21981	20704	14947	13197	13899	13460	13161	10632	28021	28800	26379	21902	12654	13633	1	7829	12619	14775	16475	17039	10494	9993	10287	12049	13900	13403	8237	1	14045	15253	14486	15515	22487	24286	15983	15313	16166	16999	19884	21788	28061	28546	15006	15310	21654	25078	28017	23935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85200024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28887	25867	25833	25235	27051	32191	23619	27300	24965	27355	20458	18900	30023	25263	10511	14994	21663	13467	25998	17655	19203	19592	21966	19365	25565	26897	16653	16771	22447	19036	19266	25790	14852	25554	12479	9564	23350	26319	25417	26664	20236	21676	27066	23834	27552	22138	21701	22224	12244	12586	21320	17432	23367	25344	26729	25414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.2085@11.533902	191002	39857	23117	35380	91398	22562	27380	105228	87455	62653	84604	77854	252825	221026	144295	24487	810515	205710	216134	175608	73918	168100	38669	192062	61200	36758	52539	69737	51740	111146	43977	163279	89687	65198	131945	157297	52429	20875	218205	208147	99327	69899	52317	18699	16858	53956	40577	44177	22159	27990	86475	50611	103796	56977	129562	128660	21096	170494	51038	52375	48414	52457	49045	48327	46649	50067	49852	65102	52305	54618	56948	37259	54929	50321	28788	30910	18904	24152	9809	38571	76857	28872	47098	26929	46596	32535	1	1	1	16938	20420	21082	1	23003	29635	20617	39235	17347	32448	28500	23218	20861	17859	21145	32243	20833	25417	36268	37995	28104	28822	16004	213296	21920	13486	26076	35337	39875	40607	42506	29348	42195	36436	28843	27541	30536	33575	32389	34349	32264	19440	30979	25661	39916	37123	57031	32618	25430	33785	34715	23814	33862	26232	27364	32533	39308	45568	50910	32283	45897	21818	25160	30376	40232	43903	47645	92494	17056	28656	26594	46192	33508	35106	32712	54789	45784	29615	106281	49845	63938	85356	66786	49386	101469	20199	31267	105047	50329	81002	95025	89674	50900	96132	86476	48339	92284	95222	79674	77162	59559	83439	50996	47092	90102	87094	95019	46866	87812	94210	78014	27069	94229	110495	117836	88444	85042	111528	114220	92721	81414
758.5151@0.8670001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7011	9379	1	6356	5969	5770	1	1	6195	1	1	6123	6871	6262	9102	1	6316	1	1	7068	5871	1	5820	1	1	7685	1	5607	1	1	1	1	6998	6204	1	6529	5546	6478	5596	1	1	1	1	7309	6855	5758	7720	6545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
701.9172@13.072582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	235684	1	1	1	1	1	99224	1	306440	305267	151072	1	1	1	1	1	1	1	1	129097	1	1	69021	1	119779	106014	116477	1	1	98172	69815	1	350153	102656	1	1	1	1	1	1	1	1	1	1	84364	162568	96115	94310	1	1	1	1	1	1	37511	1	1	1	1	1	1	44440	1	1	1	1	1	70195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81711	1	1	1	1	1	1	1	1	1	1	131097	1	1	1	1	79389	1	75106	48664	1	1	1	1	1	1	113121	104960	113043	1	1	1	1	1	194647	91815	1	1	1	1	1	1	60194	1	1	1	265658	1	1	98873	1	43076	74235	255338	207568	1
> limit nullnullnull 11.895997 :104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66509	46564	52207	44306	38728	55559	59067	1	48374	49118	46599	54816	47986	46315	22872	29705	17771	24772	18111	22777	14346	12704	1	1	1	13268	1	19296	18110	22890	27606	23035	19564	21445	24393	20311	21875	21766	16406	1	22642	1	51588	14593	21256	18146	1	13550	21696	20790	12651	16713	19653	1	1	19111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Hydroxyethyl methacrylate nullnullnull 4.1573057	89307	83903	70497	1	95282	85754	1	31769	1	50816	103922	87636	75719	83926	1	59462	64241	18108	147072	140056	1	13418	1	37015	101451	88259	1	62410	124554	135009	137778	95793	1	53408	1	96984	1	1	97820	1	1	30873	12809	12870	1	83606	91036	107510	1	1	1	1	1	1	1	37932	71218	166084	20604	15671	10071	25743	74029	71154	20075	24798	28756	34838	55311	22558	54722	67988	13091	27757	21534	69424	36255	21848	36079	37464	69661	58616	61628	41998	32313	61022	123829	111469	110501	102711	64902	48882	11330	38201	90858	93001	50689	63281	48836	25248	69114	74679	42265	37128	49712	55456	63217	23552	52808	85633	22933	27685	43315	42906	101383	64024	15404	109811	56110	51579	59153	209462	74313	46111	92541	49519	153962	90986	59808	13840	18756	28469	159602	25286	20280	22325	94115	71805	72498	75699	26727	90743	108388	24714	88440	89743	64579	25574	114691	101316	83569	98583	121745	103317	11431	64043	180740	162585	50749	17530	61942	38622	20916	96551	88558	166617	45440	93295	162442	136712	91902	1	31443	35132	88098	114571	132430	72884	110062	97628	74298	90636	99976	124931	66259	72261	24421	1	176390	135316	15116	71876	66699	74526	190351	36520	23340	94949	93871	127152	62061	99072	121907	79827	22880	32495	135131	15417	80227	15946
62.0175@0.9519998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12589	1	14696	1	1	16089	13378	1	1	1	1	10705	17852	15841	1	19663	15728	16835	1	1	11884	14721	16993	17085	10720	1	12275	12208	14908	1	14450	18838	17026	18743	18407	17886	17727	22061	17292	16490	17162	17802	1	19319	21517	21096	16318	1	17416	15557	20373	21075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Disulfoton	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25502	26480	26586	24448	27467	26857	27238	29862	28245	25630	28624	25933	8468	8294	24666	20803	32827	34275	36548	33802	28666	31019	11833	9669	30531	30704	28309	27437	9814	7385	11092	9330	27861	24415	33298	31499	37175	39585	38668	37581	39952	43469	37791	36830	35125	37177	39699	37812	40985	47218	29017	27354	38293	34100	1	46623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
527.0716@1.1739999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6778	8675	1	1	1	1	10147	11484	59949	61930	1	1	1	1	1	1	1	1	61324	56135	8763	9681	1	1	121260	130944	63301	65308	51220	51449	1	1	77099	80353	14850	15504	1	1	28400	29474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
89.0183@1.1129997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37593	39249	51008	45680	104296	104978	55690	56271	30171	30797	31764	39752	177089	174421	16137	20676	41964	41215	63361	64565	76731	76265	114854	107577	106398	118721	69212	64562	217195	140252	17219	72567	146181	142750	20757	32586	143502	20009	137017	142186	82376	81467	144393	143795	102127	77402	108152	87286	34959	28305	50345	44652	40203	37492	104007	72462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H25 N5 O S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	117479	117194	118787	46953	52168	65392	120442	55101	76894	48963	111603	43540	84589	56634	26461	22152	1	18161	23233	17656	35869	31955	1	1	44232	22395	1	19809	37071	16934	29405	22291	19971	24499	18457	46452	40161	18532	17295	29756	19735	19224	32059	30419	1	1	1	23016	22403	20912	1	32751	26651	18541	1	43032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0318@3.6551476	1	1	1	1	11708	1	1	1	1	1	1	1	1	30613	49329	1	1	1	1	53728	1	1	1	32688	1	57490	1	1	1	14642	1	1	1	1	1	13673	1	1	1	1	1	19097	1	1	1	1	1	1	1	1	52869	1	1	1	1	1	1	1	1	1	1	1	42459	32679	28387	18070	1	1	1	1	38640	61478	34927	1	33416	1	1	53791	29422	1	106372	256351	74988	142652	40612	39867	76448	60357	55387	75558	87531	49304	42273	56228	98281	47633	140676	126795	1	32262	85305	104552	71051	72629	1	1	1	1	1	1	18271	71529	18090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.875 :105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9222	9851	9050	8786	11704	14229	8330	13446	9653	13932	8024	9613	16285	14313	1	1	10662	10380	12245	9270	11704	14479	12041	10902	16734	13977	1	1	8793	15484	8017	12459	11536	12850	1	1	12766	12792	11732	10453	9525	11647	11502	12621	10289	9659	9684	13603	10569	12667	9072	6472	10482	11364	12787	12618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Glycidaldehyde nullnullnull 1.0979997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49879	42855	31082	9526	24477	107241	36014	33261	18680	36318	43141	39501	33919	33400	39710	33405	22065	22866	28544	15889	110244	110294	21007	24849	106245	111721	46193	50791	56675	54724	24796	34075	26536	31403	41907	47457	39203	40001	20302	23332	64451	64140	126386	21014	31605	65573	86829	10792	42619	18264	74405	62703	30457	73673	28039	24298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
828.2946@0.8449998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9404	6549	1	1	7305	5712	1	5959	8485	6727	1	1	5655	6375	6267	1	1	1	1	1	8798	8180	5945	6968	6110	9107	9309	6965	11681	6960	8236	6778	12885	8436	12690	12887	1	1	9209	10097	5874	8221	7446	8192	1	1	9106	8074	6849	5982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1127.263@0.84999985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11419	11261	8578	11815	8543	8060	9696	10970	12784	11510	10855	11245	6942	6488	8808	9016	15231	12248	9905	1	1	1	1	1	9039	9763	6433	8886	1	7849	9113	10234	11449	9354	10455	12906	13511	11650	11864	12927	13183	13574	15459	15092	14639	15383	14499	11142	9582	13708	13545	13406	14436	12869	16761	14031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
428.8338@0.8719998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8165	1	1	1	1	1	1	7661	6086	1	1	1	1	6928	1	1	1	7203	5640	9743	9281	1	1	1	1	7808	1	7272	1	1	1	5595	6036	8290	7125	1	1	8747	7968	1	1	1	1	1	1	1	1	1	1	6771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
60.021@0.8907132	1	822892	101724	167423	18121	3283437	138565	1177344	555826	591210	1	112191	308837	173548	1	879269	227538	128928	1	1	215573	115269	406098	79555	181853	120289	641358	445177	258620	140294	231259	542182	538350	557988	773117	373624	271782	336220	621087	1054693	315819	205826	347385	300107	292543	244857	618953	704781	132478	125987	127211	154822	651278	682225	77042	132225	584300	819972	7822	1	1	1	11548	17631	8029	1	1	1	1	1	17856	16908	7481	1	1	8077	17852	1	36201	14485	28822	21083	36907	47539	1	1	24447	38293	33642	14328	14499	20438	19941	17591	22631	8504	10750	21926	18867	51584	18713	13032	7936	16850	8258	29920	36236	23318	16038	55209	52886	7253	29436	10552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
100.0491@1.109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7791	18162	11154	38681	1	1	1	1	1	1	47295	38298	1	1	1	8568	1	1	12504	1	11850	10959	12163	10480	24348	1	26925	33899	14414	12375	22950	16863	1	9875	17594	17560	17043	13387	10691	1	11231	13681	14260	9023	13347	12026	1	1	11087	10254	10071	18263	18155	10902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.798@0.86600006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20503	21180	12603	14874	18847	18980	18540	17046	17653	19075	12298	11479	16326	18406	1	11405	13672	14130	15692	14077	11310	11837	1	11021	13706	16735	12808	1	15336	13753	10833	12831	11365	13221	1	1	12563	12735	17639	12777	16996	15115	16135	13689	16874	15958	17708	14670	15075	10421	14645	15567	19055	17260	17316	16258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Apigenin 7-glucuronosyl-(1-2)-glucuronide nullnullnull 11.5440035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120858	83810	155156	127578	117963	37513	91696	113782	92411	48906	140190	52783	140713	54283	92619	100129	54598	125290	73493	44589	86920	37801	57567	45843	33112	26756	36847	78021	45415	37977	102146	60206	1	78919	1	108890	74017	61020	124069	66183	1	123956	73529	61669	133567	66090	65574	108393	18302	1	90217	85772	1	38696	207639	45469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C34 H72 N17 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12200	6850	12191	10423	9144	13088	8683	10696	9309	11458	8163	9147	9600	6966	6243	5974	8861	10159	12329	11611	10585	10286	8574	7123	7648	7442	9596	1	10699	7108	7286	7502	7644	6742	1	6535	10884	8366	7949	9602	8657	8252	10983	8742	8575	11347	10210	6766	10565	8561	8927	6114	8909	7525	8601	10780	8287	10970	9785	9241	7843	7726	11301	10753	10921	11757	9977	9384	11164	12174	7676	11922	8333	13476	9365	9743	12564	12438	12016	10837	12348	9772	11217	11600	10238	8721	11267	13995	10451	8602	12295	11711	9765	12514	10773	12784	1	8210	12610	8289	8048	8349	8252	12075	9613	11936	1	1	1	1	1	1	1	1	1	1	1	1	8432	8624	1	1	1	1	1	1	1	6076	1	1	1	1	1	1	6270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8919	8340	1	1	9790	8802	12229	12312	14058	10980	1	1	11424	9608	13544	12745	8748	1	1	6661	1	1	8458	1	12291	9815	1	1	1	1	1	1	6964	8058	1	1	7096	1	13424	15090	7245	1	9951	11560	12154	11960	12434	15677	10172	9810	10962	10922	14915	11143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H O10 S2	10193	9221	8248	9757	6989	6800	10710	10342	10417	9479	8566	5954	8689	7166	8921	8164	10893	8682	8389	8142	1	7994	12884	11767	7303	8135	9080	9561	14084	12709	10340	10908	10863	8373	10930	11375	8165	8934	10240	10559	9756	11183	9660	9502	8860	1	10491	8869	9850	8297	1	1	11769	11100	9538	12186	12887	10237	12679	10946	9376	11922	18151	18205	6814	1	6721	7734	1	1	29291	27737	6841	7794	1	1	7185	1	10462	9393	20326	23931	18690	20468	1	1	29375	27370	26361	24112	28490	27520	12268	14365	28824	29435	23149	24190	9173	7851	19877	19806	12528	13928	12882	12050	1	1	13018	13201	9035	8515	18476	14247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H5 Cl O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18278	17923	15159	15512	15022	1	15844	16216	18419	19300	14252	16218	17270	17007	17269	12469	21799	22453	18484	15389	1	14783	1	1	13823	13150	17538	10826	14583	10944	12783	1	15530	14640	1	1	15988	17218	17211	16403	15106	20065	16648	18256	18673	18322	21166	17927	21620	20535	18052	17705	18195	18441	23714	23311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H28 N5 O21 nullnullnull 11.646996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14450	22424	93799	65879	27747	139940	73939	36628	17049	115973	38622	73690	144684	61614	32620	51307	15932	55166	81437	42520	110646	85343	113285	26715	28094	46504	18976	48633	20471	74576	49525	38360	100239	82740	47762	91550	123879	22970	42689	41896	29954	93422	45708	67844	23186	51590	15819	52811	59974	50250	111053	62678	16897	18645	13791	13547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(16:1(9Z)/17:0/17:0)[iso3]	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22099	18782	17076	17812	24610	29927	15105	15290	20755	21826	12628	12070	25159	28912	13609	10843	14862	16079	20216	18325	12241	13261	14298	12519	15400	27781	12366	13674	16830	23079	20526	18194	23290	24758	14602	12857	28102	26786	25203	21828	15888	12888	18400	21620	19729	13389	22470	18094	13244	13795	15015	18100	19308	16765	21288	25054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
977.2754@0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7813	1	7061	1	1	6148	1	1	9181	1	9180	6687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8413	1	6875	10529	6663	8461	6738	11421	8267	6836	10360	10693	6667	7006	7601	10025	6382	7330	7578	8862	6219	7134	11861	6892	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1289.6139@0.85000014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8784	1	1	1	1	1	1	6722	1	7080	1	1	9188	7616	1	1	1	1	5939	1	1	1	1	1	6811	6608	1	1	9361	7148	8482	10301	7481	1	1	1	7666	7294	6694	1	1	1	8568	1	1	1	1	1	1	1	1	1	5643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1038.7396@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7503	1	8540	1	1	11658	1	9033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6622	1	1	1	1	1	1	1	7359	11585	12038	1	9687	14833	9778	7193	9448	11049	10064	9568	11550	8298	6314	5620	8532	8173	1	8703	9406	11872	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8580003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14253	14508	11701	14707	23768	16884	11068	1	14722	14828	8376	1	25100	22274	1	1	11165	1	11188	11467	11918	14014	11061	11586	13842	18483	8566	1	19446	16077	15138	19100	13917	19561	11477	7346	18386	14164	16580	20375	15255	10251	19237	16448	16479	11591	16311	11051	1	1	11567	11201	14720	10214	17800	19090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C28 H25 Cl3 N8 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27933	26919	69198	19502	30726	31620	58399	24389	36192	61218	31984	29741	39330	55294	15699	18967	1	20206	15473	30401	14298	28254	18812	34065	35145	28326	23928	16207	20922	38552	1	13726	1	1	28037	21740	16366	20162	30098	14469	29719	1	27433	16283	38148	26325	20346	35654	33094	35311	21961	20075	32924	1	52699	18708	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
168.0029@1.1310004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11033	8037	11273	11664	36003	41578	29548	31868	1	1	8517	7945	32011	27905	1	1	17266	20406	32422	35152	36161	43300	30088	34237	45966	53428	42675	45733	32852	33049	29283	29236	34648	34104	1	9944	34076	34148	64640	62743	42319	46357	73627	71081	24823	25488	18511	18325	14029	10464	11724	11320	1	1	19401	17307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1120.9467@0.8880002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12168	13144	1	1	1	1	1	1	14239	15068	1	1	1	1	1	1	1	1	8702	10732	9702	10086	1	1	18423	19495	13371	15222	11226	11935	1	1	18508	17057	13434	12380	1	1	10519	9662	1	1	1	7034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
797.3513@0.8437168	25399	23751	24607	26649	27414	26476	23933	25743	24649	26613	25834	25827	28522	23182	23415	25171	23726	23501	25107	26027	25555	25589	20737	21018	27114	26995	27808	25308	22798	23824	17620	16237	18551	19795	17588	16653	16768	16398	17451	20960	20565	18084	19562	18963	18690	15494	19297	20651	15849	16474	16583	17709	21771	22106	15540	16404	20479	21744	9814	8882	12247	10417	7630	9881	11558	9512	11180	12656	14200	11993	1	7161	12735	12072	14827	14251	10547	1	1	1	1	1	7682	6860	11062	12733	1	1	6205	6492	8407	7531	8309	11969	10134	11377	11438	12474	12539	15150	11135	9101	12507	11970	15145	13476	12279	13708	13495	14506	13290	12663	15318	14881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
986.8216@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9850	7852	1	9858	8612	1	1	16249	17461	16082	15843	10867	1	1	1	1	1	1	1	7986	1	1	1	1	1	1	1	1	11310	1	11918	11646	12114	17026	19532	10039	1	17156	17012	14922	16521	16592	13377	11870	14516	15677	13491	24591	13984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 1.0904547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19040	1	1	1	35324	1	1	1	1	1	1	1	1	12136	13949	18543	19984	19566	38870	34513	24568	24695	4968	21711	1	19081	26296	17673	1	186317	25018	29654	48009	16291	37429	21223	40800	54516	14875	14486	18438	19245	17731	25919	20612	17643	17757	18930	17845	123614	9995	15846	29067	21792	18413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1103.6968@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7343	5777	6752	6535	7001	7856	6952	1	1	6481	1	1	1	1	1	8814	9086	1	1	1	1	1	1	7189	1	1	1	1	8239	8138	9131	6414	10952	7742	10057	11165	7668	9080	1	7575	9292	11436	1	6648	9470	7211	1	6285	1	1	1	6137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84400016 :106	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9582	10107	9411	9878	9241	10617	9568	9429	7833	8663	8526	6419	1	1	10091	13142	14184	10603	11914	1	1	1	1	1	10155	12947	8795	6850	1	1	1	1	9147	1	10625	9917	8436	1	8943	1	14326	13123	12020	12015	15573	16615	13932	14310	11583	10874	13357	13262	13949	15646	16190	13782	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H2 Cl2 N3 O10 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21923	23233	19543	19672	18276	17030	19663	18259	18013	18616	14058	13449	19295	16980	16623	14948	17191	15656	18898	14862	15870	18667	18153	19705	19362	21337	12494	12447	1	13896	13882	10836	16347	18528	10792	13798	17884	18763	20387	22980	21639	21253	21768	22023	25178	24690	21530	24032	10984	13458	20452	22770	24903	23780	30597	23387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
912.3309@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6253	6111	1	1	1	5804	1	1	1	8459	8693	1	1	11486	11315	13151	11845	6310	1	1	1	1	1	1	1	1	6770	1	1	1	1	7694	1	1	7313	8226	7787	9256	7051	12916	12224	7752	6469	8224	9866	9317	12184	12226	13228	11737	9011	14167	11056	15520	11332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.9387@2.8809993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25666	77094	81742	51718	92511	48427	45939	59926	39845	56801	80199	85871	54150	87744	1	1	1	1	1	1	1	51083	88554	97131	62859	37561	31840	1	45993	36274	66778	57010	42890	1	73942	93695	56793	1	60075	32104	1	78523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
348.9519@0.86099994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7477	8782	1	1	1	1	1	1	20690	18377	1	1	1	1	1	1	1	1	14449	11259	10028	8131	1	1	15071	16690	10209	11639	17209	16860	1	1	13865	15352	14136	10597	1	1	8577	8920	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H3 Cl3 N S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17649	16632	12823	16218	24432	23487	14652	13392	16185	17147	13974	12711	28551	30064	14092	11226	15918	1	13917	15415	15534	16758	22316	19683	20025	21341	15510	14479	28042	30376	23767	25262	25797	24370	16929	15015	24223	25993	25091	22678	15035	14197	22307	22122	18866	15857	16615	19408	1	1	17452	17462	16994	17111	15375	16053	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26547	29788	29483	30023	24234	29370	26154	24116	23330	24584	19170	19495	19184	14123	24109	22644	24077	22930	24446	14282	16368	16940	16945	18191	26621	28683	16720	20037	18606	21431	24517	26617	23424	23859	23551	22434	21533	21796	22966	26616	26998	27964	27195	33542	29660	32433	29109	33062	20982	12245	31531	29146	32905	28196	36846	34411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
828.2792@0.8460003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6439	1	1	8311	7705	1	1	1	6059	1	7110	6811	1	1	1	1	7798	5631	1	1	1	1	6240	7393	6559	1	5939	6188	7940	9515	5658	8969	6189	6712	1	9749	10434	10772	10359	1	6196	10367	7521	6699	6522	1	5722	6288	1	7078	7347	6959	6473	5703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.0746@11.977847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	96935	130394	112444	112140	85377	33630	106648	20292	163235	87113	229777	147889	48491	82630	42907	46357	101634	62607	36294	43543	1	1	1	1	1	21035	46218	49279	1	33476	34962	34920	33773	54216	61192	94778	1	31663	30879	45379	29538	28653	1	22667	32329	33466	1	33618	39553	35766	45691	53089	30186	39448	1	29251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H2 Cl3 N4 O17 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13329	17792	13464	11422	11176	15301	13209	13124	18117	14164	8679	11771	13969	14643	10120	12312	14316	14485	12253	13281	9558	1	7711	7507	13585	14365	1	9127	1	1	1	1	1	11241	15074	1	13972	1	15430	12387	15737	14914	1	11349	14424	17145	16981	9887	1	1	17854	11161	15895	15394	22292	18836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
745.698@0.8639998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6082	7245	9153	10305	14157	10294	9995	12543	9602	7830	1	9298	1	19490	1	1	1	8928	8132	9498	11523	10763	14410	11612	9366	12791	6811	10145	18527	13469	11100	15865	7703	9381	9210	8556	19738	20496	8458	13703	6756	8710	13919	11273	6577	9242	10801	8309	1	8047	7570	7567	7947	9080	8576	6573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H18 N10 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66099	77331	127413	112610	205427	75639	80787	128425	115271	131787	139481	117377	124825	132280	80138	77380	72504	58376	44861	65650	95682	93334	81062	80732	67991	70745	88882	85266	70286	60205	98993	53385	162292	71022	67429	95129	74076	21654	84933	69646	101159	77569	44455	89719	51200	70305	73801	86688	9370	72049	86280	43090	77933	62756	89012	61398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
940.3083@0.8419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7680	5976	9249	7533	1	1	7439	7897	6475	8265	7030	9874	1	1	10300	10105	12598	15293	6846	1	1	1	1	1	1	1	10687	6930	1	1	1	1	1	1	1	7146	1	1	10090	7957	10655	13569	6075	9977	8689	9601	7982	9523	13324	16221	13362	12287	12441	12326	14309	11374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
131.0962@1.8279997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21104	23394	1	1	1	1	1	1	1	29990	53014	34265	1	21945	1	43866	37894	43318	65357	57821	23902	51428	1	1	14699	63611	67870	39462	41335	44965	78094	28303	144162	147298	81078	76240	47786	49967	117893	110303	42112	44327	72970	63167	21927	26541	47846	48441	47486	50721	114340	100688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11547	9901	10840	10998	10128	8492	11482	9369	9074	11308	13332	6294	10918	8569	8522	12672	9901	11197	10940	1	1	8716	1	7489	11144	8994	9363	10672	10640	8103	8445	10339	11477	8714	12651	9735	12389	9622	11290	11944	11988	15154	10246	13133	16069	15951	12830	13542	10382	10906	13275	12172	12653	13211	14633	11834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
304.9938@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6999	5972	1	1	6699	9103	1	1	1	1	11624	11933	7638	9187	1	1	1	1	1	1	1	1	10771	9612	9009	9483	10685	9552	1	1	1	7351	8199	8473	5504	1	7062	7020	8192	8275	1	1	7432	8336	1	1	1	1	7146	6529	5474	6054	5730	1	5799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8460004 :108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13509	11208	10926	13516	15021	10993	15651	12009	11838	8704	10180	12094	10805	16277	12545	8356	14618	13463	14402	6680	6967	9744	10731	11293	13596	10742	9956	11778	13931	14668	14870	15350	10214	16800	14280	13604	16476	11481	17809	15317	11281	12320	13083	17000	13924	17532	12505	14239	10799	12085	10484	17791	12394	13773	13849	19370	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O2 S nullnullnull 4.64483	127892	135812	89760	131769	121211	136350	134074	127256	95044	113299	170861	153690	113430	95659	98244	102268	152393	104383	113929	108402	76168	111954	107672	110847	162144	138631	124687	128903	111792	142831	148224	153166	56914	83151	150942	106062	134935	118110	150126	82878	112828	127890	100105	131742	148694	147589	131460	129649	116347	131743	123675	163691	173855	167882	159319	142106	139966	140590	49988	60233	58257	52579	1	56442	1	50287	60621	1	1	56809	47741	55677	49839	1	1	1	49547	1	85761	83581	80729	85296	92208	59333	72019	76175	83206	69682	90508	73100	69519	95174	157211	130930	72202	100868	85744	107877	101892	55995	98423	96686	101587	92270	73007	60171	91606	79354	96199	76747	60582	67063	1	77640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.835	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33334	29526	16844	30453	19365	27579	44837	29620	29972	25867	28899	32264	47806	26187	23296	19861	19160	18800	21032	20283	23565	1	21571	17202	16680	22352	12403	22579	17856	20809	1	17860	12993	19386	1	1	25905	1	30485	20270	21318	17210	19761	19119	20576	16927	31964	23410	15824	20758	25570	21918	16534	17075	58691	18144	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
835.7924@0.8489994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23485	21407	24943	24345	27295	22528	19941	20622	21170	13479	16079	17262	22534	20693	17547	11566	14038	17106	12792	13708	11605	13027	20409	17763	21685	24910	14808	13778	29971	25672	30729	23391	26072	25897	14868	13685	29044	28200	25916	26225	22236	18541	29201	29468	25111	22065	20415	23737	14571	16163	20733	21337	18480	19030	25598	28643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
807.5517@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6741	1	5788	6136	6576	7853	5850	1	6204	6406	1	1	1	1	1	1	1	1	1	5995	7537	1	1	6964	6237	1	1	1	1	1	1	1	1	1	1	1	1	1	6860	1	1	1	1	1	1	1	1	5932	1	1	1	1	5714	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.8699593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8549	1	11708	7799	10357	7539	8777	9070	11699	13336	10097	11539	9050	8400	1	1	14373	7021	13151	11816	9290	9653	6680	11536	6347	10403	9037	12296	11094	6046	8134	1	11199	9668	1	1	8505	6571	11083	7334	12404	11393	7725	1	9885	9804	8241	11317	11000	12394	9118	10393	8489	8369	7422	7507	33327	37313	36124	34330	23102	22931	34542	37992	33518	32421	36622	36704	32761	32870	36614	34016	32964	31954	38961	37246	37544	36863	38200	32494	38076	39054	38161	35915	37143	35862	32086	34993	34106	32659	38090	33753	34398	38063	34650	35180	26693	24939	37569	40538	29148	24697	40674	36640	37411	35432	21237	19566	26675	22266	21599	21251	25996	25148	23146	23002	23681	24250	29449	28253	27428	26412	22969	17827	26376	25255	23151	20730	25175	26928	27173	23644	26093	22416	24878	24790	25704	25350	21250	23696	24176	25283	24114	19047	33680	33487	23861	26206	21678	20671	25390	26702
C3 H4 N2 O2 S nullnullnull 4.6369977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60607	61282	63731	52632	1	65726	1	53118	60740	1	1	57486	54334	55659	49770	1	25742	1	64556	1	88453	64166	83750	89773	92208	60102	90142	76950	80635	69682	90508	89835	69936	82804	149231	132369	101413	59542	94169	92549	101858	48673	98848	96686	103201	92266	77020	62493	91556	89845	96199	106155	84489	67063	1	77628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.974@0.8910529	31102	30758	26671	24036	16303	14990	27857	28423	21816	25341	16155	17003	22168	22438	26254	22464	26660	25899	24901	23041	12809	13794	35387	34868	21605	18973	23965	22214	28322	31624	1	1	1	1	1	1	1	1	1	1	1	8514	1	1	7928	1	1	10047	1	1	1	1	1	1	1	1	11268	10778	22647	21026	18428	17281	22917	26769	17041	13149	14591	15255	14185	14336	30619	33391	17944	17002	13354	13155	12714	12273	15824	17313	28526	25677	27942	27015	14574	12113	28001	27685	27973	24179	30320	32617	17808	18942	31045	31358	32599	31860	18224	19647	29280	30411	27558	25610	21494	25761	9921	10310	22605	21234	21375	19268	28463	23214	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1050.5054@0.86700004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9763	11049	1	1	1	1	1	1	8234	9125	1	1	1	1	1	7721	7924	9022	8083	10087	7151	7624	1	1	8604	8237	9189	7990	6092	7260	1	1	9294	1	5648	9283	1	1	7639	7867	1	1	1	1	1	1	1	1	1	1	11796	7161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1141.705@0.8465091	26398	30494	28776	30811	25101	22133	34163	25062	27652	31351	22427	23997	30536	29049	26338	21246	23911	27801	27968	26361	26654	22613	26972	29708	26581	27555	24991	26157	29748	26192	14057	11135	11063	9831	9038	13840	7004	13305	13477	11070	12066	9239	13051	9330	13056	8406	13362	11927	11816	6000	5432	1	13163	10782	13732	11188	12965	11123	23875	23391	24318	25610	20969	20496	26200	24306	25481	26952	23347	23612	17526	14018	28255	26790	23511	30168	27028	12364	9624	10080	13360	12095	15087	22782	24119	19068	16338	21412	21024	24600	21425	24271	24313	25709	30519	29080	29082	30206	32977	34383	32140	27494	33732	31681	34320	30397	28932	21135	31457	32087	25690	31702	32385	30429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
84.0206@1.2750005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29967	27392	16047	19482	1	1	15261	1	26688	21349	16065	1	25002	23852	24056	21572	33271	23508	89124	50070	54907	89235	24626	21572	40719	44535	50361	46605	24402	39093	1	1	37518	45617	60713	59471	14783	30589	61413	84826	17298	19359	17927	1	1	1	11711	33273	19397	1	23291	14971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
116.0288@1.2690005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107604	99114	67897	83051	80150	76114	70047	17764	17121	95940	65672	70581	245689	263052	73633	63915	114034	114758	110008	116038	20230	29191	155309	129416	58154	54988	93790	91591	204619	203801	75838	179117	240759	219040	67892	76564	106188	209064	93678	201001	28726	26987	177948	71416	117021	115262	39941	16973	14369	103904	17656	102796	21775	114224	1	156734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1098.7656@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7763	1	1	1	1	1	6898	9435	8288	1	1	1	13943	11920	14607	16537	1	1	1	1	1	1	1	1	1	8642	1	1	1	7193	8381	7543	9536	9888	6596	9524	8755	8747	15693	14584	8889	7865	12633	10544	11613	7671	17640	15657	13965	15000	10293	16059	16190	13441	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.8752@0.86399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71290	75143	79243	84318	49269	48609	98839	96145	102064	101198	96484	92944	29898	31531	50636	52037	89751	81156	98058	115532	100383	92991	44304	38604	50819	54677	87907	85592	13336	16260	23470	20909	27086	26919	52122	43539	25857	26641	36718	36971	76348	77252	42673	45915	63891	63872	65503	70615	94535	94390	62136	65119	73846	74257	65127	69702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C29 H3 Cl2 N O11 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15035	12424	1	18486	20226	13616	15466	15705	13714	10734	10830	18309	20379	10793	12049	13861	14220	13300	12371	1	1	8240	10207	17352	16837	9320	1	16483	19345	17483	19921	19860	22086	14440	18372	26665	26124	24271	23498	13672	15355	20659	19455	15710	17516	17449	12044	8908	10169	15125	13621	15049	14633	17940	18054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.9209@0.8502858	18653	17116	18297	20035	14078	15618	18365	19489	20376	17967	13611	14875	19155	16001	14191	16432	21855	21432	18461	19883	12570	11045	18075	21629	15487	15592	18499	17474	17907	19758	1	1	1	1	1	1	1	1	1	1	8303	9146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10272	11331	1	1	1	1	7079	7366	1	1	1	1	1	1	10376	10566	1	1	1	1	1	1	1	1	1	6323	1	1	1	1	17090	16549	12898	13950	12833	12990	9322	7070	16266	13975	10120	11606	1	1	8001	7971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Proscillaridin A nullnullnull 8.005952	64114	62251	112007	112230	27923	25093	74682	68973	342148	345420	25355	29633	128937	148687	200558	202605	176657	173957	129131	125027	105752	106027	81219	87343	38904	43514	198159	183648	211004	224295	76848	81462	247807	255732	343863	353269	411313	398660	693049	699567	384626	390554	249447	260445	165186	162051	446544	458442	39439	37077	26873	27187	374109	346002	39239	47852	32345	221261	75850	82004	48299	52811	1	1	9567	92477	33808	35027	1	1	43569	39382	33308	36367	1	1	53001	47854	45782	42201	17863	16100	1	1	1	1	17663	17519	23938	22666	29136	29552	57145	65732	24330	24341	46326	48970	53708	53379	50732	51280	286988	279234	89942	90940	1	1	88684	88917	121169	121836	111790	108098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
194.0009@1.2765226	31702	34673	14573	10013	14083	11438	14699	9604	20096	15979	11325	12163	27512	29638	25099	23216	42274	17603	26375	23511	16526	27075	14179	18725	10007	9115	12700	13283	10331	10032	20795	17895	19211	18283	32740	34769	19987	22303	32797	32627	21905	23867	20455	20728	17822	16896	24172	20405	19821	18626	23625	21380	38090	35529	29799	26606	28195	35365	31089	37229	21496	26089	52102	52959	45831	49694	29125	29821	25797	20587	30762	35778	24831	23270	31187	30985	32962	33953	28418	19060	41916	24513	41046	36464	28408	26861	41603	42070	50880	46432	31898	37761	28445	14929	52142	48133	41658	39488	34857	39490	58533	60124	30847	31450	29407	26187	23602	31834	28081	23309	21884	23786	35973	27465	1	9141	1	14717	14427	12674	13138	11271	15845	13997	17113	1	12289	13955	9264	1	9899	11839	9400	8090	12556	1	10789	11779	8463	12544	13402	14859	11295	8950	11362	15923	11488	11096	11513	17161	8811	1	14332	1	14242	8545	12125	12302	1	1	13605	1	12389	10952	1	1	1	1	17587	1	16338	1	1	1	18563	19247	14648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15328	17864	1	1	1	1	1	1	17771	1	1	1	1	1	14267	17876	1	1
C14 H22 O2	204483	156946	76101	41922	28681	24756	31474	1	74907	44090	248680	88894	953404	413614	1046219	720250	1571896	591096	733356	119001	127982	131529	30698	66214	49137	63126	38735	1	1	9554	20611	27995	21738	48030	20012	18893	23913	27479	78810	49378	66158	77597	22435	21383	59457	52734	67911	40692	44209	29937	32989	40874	242769	117785	38402	23365	79696	68820	23780	40259	32407	39365	42458	14610	37671	15956	14629	32133	49570	24247	38790	19022	16718	44299	20466	45342	7951	44902	91308	87455	769248	194864	106315	35019	55045	37297	42182	16874	61163	12324	55368	15186	19665	32752	96944	42765	104820	55278	56318	46170	98094	53001	54141	51762	127980	80283	30708	22746	143123	89645	61595	57741	5301361	56409	1	1	20611	22559	1	29347	1	1	1	1	1	1	1	71502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74588	1	1	1	1	1	1	1	1	1	99994	1	1	1	109054	1	1	91325	58184	1	1	1	1	290463	269093	1	54403	1	1	1	18525	1	1	1	1	1	1	1	1	1	47542	23085	1	1	1	1	1	1	37969	389267	1	1	1	1	58399	96226	205787	1	1
1229.6821@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7236	6732	1	11091	9633	1	9411	7499	6602	9002	1	6390	1	7420	8420	8926	9233	6771	8304	1	1	1	1	1	1	6035	6918	6017	8858	8849	8548	10546	1	10096	8204	8949	10513	10222	10939	11395	10080	9224	9964	10692	11155	9226	10387	9262	6696	1	9138	7614	1	8265	7685	10039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
372.9829@0.8529999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6880	7139	1	1	1	6305	1	1	1	1	9292	9189	1	5684	1	1	1	1	1	1	1	1	7281	6189	7870	6570	11174	9936	1	1	1	1	1	1	1	1	1	1	6136	7013	1	1	1	1	1	1	1	1	8385	7575	6188	5911	1	1	6515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1282.6709@0.8479997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8014	8415	7432	7649	6884	6756	1	6485	7575	8389	6662	6037	9171	7767	1	1	8439	9136	6357	1	1	1	1	1	1	7564	1	1	14041	7222	9382	7499	7628	1	6719	1	1	7241	8330	7002	8423	8551	1	8032	6656	9758	8292	9936	1	1	8333	9097	6511	6981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Aspidinol nullnullnull 7.394961	15996	13274	1	1	1	1	1	1	1	1	7284	8360	16502	15886	22720	11598	11774	8547	8023	14410	8611	11001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27171	1	1	1	1	1	1	1	1	1	1	1	18696	1	1	1	1	1	1	1	11418	34094	1	1	7755	9678	1	1	18598	1	12744	8893	12661	23213	13827	1	14011	15044	28067	17072	94963	29047	27698	53865	13966	33859	17271	18908	43955	17932	30672	23184	1	30699	26130	28174	28037	31098	30740	36256	22792	26293	22139	16205	30176	18060	1	1	61797	23894	13387	14497	9162	23805	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1269.7068@0.8439999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6105	1	1	1	6045	1	1	1	1	1	1	6802	7480	10344	6343	7836	1	1	1	1	1	1	1	1	5974	1	1	1	1	1	1	7148	6192	6934	1	6749	7653	7680	8506	8257	1	7214	7405	7553	1	1	1	7326	1	1	8074	10083	9644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H22 N8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58605	52409	55736	46607	43599	48454	48698	51319	57067	50045	50260	47081	55418	54687	30973	44895	28548	34598	26850	25662	27782	28349	42450	25261	33584	16838	24391	31365	25418	20807	18970	26323	21504	21507	27262	25267	26104	28579	26719	34980	38280	29815	23509	29790	22941	21403	28038	20393	24749	34586	27675	27657	23070	25017	174278	29633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-propionyl butyric acid nullnullnull 5.2451224	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90358	81832	29351	1	1	116492	66677	31417	1	77445	1	1	127491	105535	49006	89943	114875	122711	150536	105475	115061	107044	66051	118411	124066	128422	130083	117843	10685	129538	123788	127575	1	67535	184875	122700	127231	107688	67162	110869	150951	159492	177334	113986	159296	153793	165212	153875	113300	32375	174960	159103	113378	117264	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N2 O2 S nullnullnull 4.608001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72570	1	60782	43637	1	63896	49508	49434	1	1	1	56282	69709	56007	54438	44244	36051	101481	90626	91833	91601	27714	81829	83735	19485	63573	86538	92272	22867	89013	91470	71363	1	1	156130	126286	91076	101261	19316	103765	1	62020	97603	114638	103700	92952	78792	67547	1	1	96177	99649	60151	69066	1	80577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
364.8596@0.8549997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13286	13899	10790	10325	11584	11114	12848	15678	1	1	1	16174	1	8418	1	1	1	1	14087	11711	9498	9841	7199	1	1	1	8741	11715	11996	13260	11083	14789	16204	1	6675	16320	14072	7652	12349	10529	12297	11352	10978	10480	1	14334	10631	1	1	1	13186	1	8862	10365	13401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Hydroxyibuprofen nullnullnull 7.365998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11443	10331	1	1	1	16581	1	1	11467	25624	16875	9043	18741	18764	9317	7742	6944	50721	25805	79877	130331	45242	38447	42799	37859	20024	31873	14176	17381	16078	10922	11345	41076	45988	22139	21835	36831	40654	31540	34195	43431	32251	30602	29577	42226	31825	33740	13183	57301	76228	32178	15902	43101	30388	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
490.9408@0.856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9111	1	1	1	1	1	1	6453	8790	7674	1	1	1	1	1	1	1	1	7617	6900	9341	6751	5660	6554	1	1	1	1	7581	1	1	1	1	1	7368	7610	1	1	1	7097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
938.7778@0.84500015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5649	1	1	1	1	1	6074	5996	1	6706	1	1	1	1	1	1	1	1	5891	1	1	1	1	1	1	1	1	7273	9885	8821	12101	10257	6170	6974	10589	8747	1	8040	1	7346	8358	7818	1	7109	1	6714	8778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H10 O7 nullnullnull 1.5383914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143514	145221	88336	86572	552788	547189	146112	141939	115003	118905	67168	67742	304529	317084	49645	44389	79909	77261	68022	79112	112124	117266	297938	306732	310692	322089	65290	57318	732349	742730	249580	467770	311677	306633	1	45728	490059	493030	335758	342821	115439	108833	492170	488986	98417	95763	103301	86014	70104	74864	100312	102787	89389	82557	105264	125529	13145	25821	14786	1	25430	22790	43175	27336	1	11473	32454	1	25571	27102	27539	42274	18348	32964	20596	21465	24519	1	1	12017	17684	1	20190	37561	1	31858	1	1	1	33852	29152	48471	21545	38966	37671	27564	43942	42380	24837	28811	57338	46965	33860	26160	1	21861	132063	129500	99854	95221	114011	102311	66662	66073	203542	204204	90410	102377	167304	158451	81846	83342	120214	128296	74814	84150	197155	192498	168785	161797	97217	105767	406570	384263	208902	206138	97270	93474	157115	164164	93482	89020	171676	175612	69724	67823	166358	164501	320625	314360	209361	189942
> limit nullnullnull 0.83873576	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29610	29543	32905	33426	31252	30522	31450	30549	31385	31084	27228	25047	21663	20022	55488	51201	43588	44525	32682	13958	13949	16229	17638	19232	23875	24234	22789	24452	13952	15116	20936	19359	23723	24814	23362	39774	27698	26760	36757	36658	50046	54060	42834	42210	49018	48836	49222	51538	40097	39420	49669	49235	46681	48362	77746	55812	22946	22216	22723	20532	27210	28687	23829	24068	19133	19643	23152	22822	20963	23900	23545	23550	23284	22076	23352	25294	22039	23205	22421	21436	24901	25306	27673	24256	23500	23533	20656	20894	21649	22182	18811	18612	23950	23984	20333	21719	26833	28529	18168	14287	32971	32432	23174	24506	13895	19728	37931	36057	33092	32898	33184	32830	24214	26419	38490	39764	34176	35703	32064	33044	33697	36576	40360	38442	30853	32357	45358	43471	42382	44544	38943	37867	45574	46204	45033	43678	35373	33666	44616	43613	37859	34345	45877	44326	27507	27418	44750	43759	46301	47541	45374	42166
C4 H8 Cl2 O3 S2 nullnullnull 0.85515225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28719	28492	15942	18647	25931	25894	19768	18137	18705	23584	22656	20611	29474	30966	19551	23803	22541	26343	18736	21325	20906	20167	28904	23741	24991	24804	22545	19374	33470	36381	30242	30265	27508	25075	21345	17301	25210	26919	27686	25138	18051	17450	23215	23375	22864	21270	20724	22418	22398	24482	22969	22212	23999	23809	20163	21036	9763	8631	10869	8230	10794	10140	5885	16777	11249	10212	1	18748	10724	1	1	1	8637	7414	1	1	11247	1	19681	1	1	1	29099	6548	9984	7591	1	12284	1	9070	11236	28673	1	7993	16657	8228	15680	1	1	11528	11530	21031	1	9299	1	1	1	10458	10400	9851	15754	7730	10783	11628	21844	21480	9281	11003	5601	1	11433	11933	11853	1	10224	11518	33403	16555	51549	79103	11781	10504	22150	20392	45528	25771	14435	11320	22971	26099	19013	12292	35126	29054	7957	8128	18475	11226	33364	19172	21020	18986
1157.7769@0.8409997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9099	12524	1	1	1	7293	12416	9703	11095	10840	10645	8740	1	19214	18642	21458	17931	15110	1	1	1	1	1	1	9710	9665	12539	8481	1	1	1	1	10273	10100	11326	8891	7658	11886	1	16773	23113	14342	13661	15492	17414	22225	15348	19158	18328	16530	18565	18525	19105	26602	16817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H14 N13 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	93572	113977	87838	102653	102563	102038	100567	97762	86307	85072	96441	95868	106340	106313	55868	48908	46222	48007	57213	65013	58740	76868	101192	87208	62534	53052	57641	57136	57232	54677	54249	49871	53242	57538	47784	50720	73977	66978	56650	76158	69241	50474	59414	51526	58593	53228	70166	46882	50540	58680	65551	52246	50734	59535	150080	59099	30415	34603	36216	31412	38909	36286	66282	33849	31197	32275	33004	31751	68460	40928	35799	33626	32339	37277	32906	45117	34502	22626	29544	30455	33514	34831	34066	35255	39283	36832	38967	36448	30820	32286	34756	33157	32479	37481	32291	37123	34244	33780	30928	29796	30221	34395	35949	31260	27343	28413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H22 N3 O17 nullnullnull 11.649723	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51204	62668	49476	61971	50125	49323	51733	52868	48483	43647	50508	57108	266050	49928	29643	32169	26147	31283	33178	28098	32957	36174	47924	35481	21651	30523	28973	34154	25986	42750	26015	35051	29927	30936	30190	29344	37219	27608	30631	30304	38821	41875	31003	39335	21497	24369	32477	32213	26849	35320	29291	24913	25733	28046	60696	33707	1	1	1	16856	18617	1	19105	17656	1	1	19429	1	20993	20593	17947	19010	20632	1	1	18394	17391	17563	1	1	18548	18435	16047	16733	16944	1	1	1	1	1	1	1	1	16998	20422	1	18352	19665	1	17473	1	1	17775	19153	17498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
340.2079@11.492328	149166	150793	175968	270959	140063	115142	108760	216615	192234	179970	184781	147571	194779	161715	131286	221990	234301	102370	157080	148212	106462	140365	174792	216354	188600	208256	213870	140797	134225	219147	217762	121548	108502	107427	232232	257591	127524	120157	206529	225638	235084	240913	133178	209455	120108	187258	188518	226790	144532	134332	123589	233219	78154	181324	117052	123154	197571	296265	50730	52342	46819	46670	47722	40693	46808	50553	47585	49470	54124	54200	48677	46131	55338	49257	34328	30103	20244	23038	33517	35940	75183	28872	46514	27867	36132	30659	1	1	1	16916	20415	21058	1	20506	33351	18576	39460	11616	32915	30898	23382	20579	17859	23000	32347	40037	25528	37292	38392	19134	28360	12808	232575	22556	30760	38880	47068	38090	43333	40639	31030	39141	40495	36389	37344	30328	48063	40525	36904	39024	20640	32876	28802	33475	51130	46425	35344	28922	59121	30576	24616	16246	26647	31560	50623	45192	47543	54089	37727	48783	1	52114	41611	50561	51305	39902	95781	75483	35471	27689	53564	32788	46940	44444	125445	113727	135882	110785	118860	119543	59461	107921	122882	108582	135175	113514	118263	57598	117556	106405	100289	63385	102793	109480	140462	102190	113432	107126	92035	122898	115840	102067	112911	119439	118542	104532	124199	65151	113091	98634	133283	119201	113853	97956	112839	119445	118720	26761	123177	117727
788.9364@0.8419994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11119	14195	12836	13635	15429	13049	8592	10426	12800	13371	19872	18607	19695	21675	14713	17740	18251	17493	10980	1	1	1	22184	20453	5558	13819	18409	22879	17317	20392	23069	22128	7964	24516	12741	13067	35937	17561	17867	14974	15503	12876	24375	15162	17429	16240	20199	22463	30606	27665	19727	21834	23165	18486	26782	22318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9251	9222	9084	9622	7542	1	8918	8932	9299	10043	8208	7964	1	1	8612	1	9118	9499	7746	1	1	1	1	1	1	6349	1	5713	1	1	1	1	1	6139	9122	1	1	5505	7814	6283	10650	11952	9855	11059	13113	15221	10721	11253	1	7510	13670	12111	11553	13508	8705	13320	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.1414@9.052001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36442	1	1	1	1	134856	1	1	1	1	1	1	17176	1	1	1	1	1	1	1	1	1	1	117932	43256	1	1	1	1	49353	45959	54183	41268	67514	1	20705	1	177853	34544	623590	40530	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O S3 nullnullnull 1.09	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89558	89454	253603	89627	205126	229513	102740	82134	73789	93086	265689	235084	194815	200204	61342	113064	230565	94453	70837	266082	228525	66004	1	1	222779	1	207012	72402	130001	1	185449	181582	1	92086	102803	1	163860	154014	231563	1	88080	103897	178951	120289	118123	99719	1	222004	293482	1	112293	121472	212052	113861	19994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.138999 :109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33770	28663	32771	36479	40074	31206	37963	35247	36546	31301	41209	32817	45256	35101	23148	21994	23067	19324	18768	18504	25290	24440	46267	34606	24195	12392	23020	22627	20441	20118	17322	19142	50924	20601	20671	48108	27580	21802	27512	21645	20148	21482	31635	25433	20714	48820	35963	22713	67972	20113	26988	27764	21179	20393	51519	50486	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83900034 :110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6806	7980	6583	7589	7005	9128	8086	7821	5341	7388	9222	8259	9460	8104	13571	14316	15108	14865	7871	1	1	1	1	6022	6314	7858	7840	9421	13390	12510	11276	13462	16288	15513	8354	12974	20886	17734	18909	14640	17139	15925	16107	14127	12862	12680	12231	13021	9028	14268	12714	14345	14401	14059	22972	11617	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H30 N3 O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52118	63641	60443	25886	63833	52997	63276	55264	53118	55690	60862	61357	62431	35633	58671	55907	34331	33432	28443	33170	34987	33068	48578	36549	19870	43648	31611	16779	26669	35711	25600	25385	23562	26839	33216	55303	18992	42371	35125	43212	41717	40777	20894	33185	30049	42962	42610	36550	32323	47865	31806	48769	30738	32308	1406182	42433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1237.6003@0.85400003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6507	6421	1	1	6209	6376	1	1	7511	6165	1	1	6753	8352	1	1	1	7065	1	1	1	1	6722	9098	8111	5843	1	1	11503	9430	8362	10513	7205	8298	1	1	10259	14011	14194	12484	1	1	6428	9409	6479	1	1	5923	1	1	1	1	1	1	7158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C11 H2 Cl2 N O nullnullnull 0.8460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	146079	142867	7745	7534	115844	114234	123843	116562	6776	8899	8122	8854	155112	7028	72120	73428	102424	91123	96952	7716	162826	150237	142948	131466	5935	132096	106004	97661	108053	103035	96772	99398	102627	100394	66625	65892	95406	110486	95271	105139	102837	7116	96122	97501	102937	7002	6925	6886	95032	83468	7865	103190	94957	92800	87417	103259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
900.3149@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6133	6139	1	1	10813	10281	12803	12838	6496	1	1	1	1	1	1	1	7442	8455	1	1	6454	6109	7210	1	8415	8274	1	6045	9404	7766	10118	11490	8836	9197	9836	10231	7971	6389	9464	8689	8889	8890	10651	10097	11727	9522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1180.6893@0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7109	8864	1	7299	1	9665	9397	10039	10048	8744	9511	1	1	8327	8387	8960	10110	11561	7413	7802	1	1	1	1	1	1	7043	7641	7794	13058	11678	10420	8177	10024	5897	8102	13103	10624	7345	9020	11831	12292	13822	9165	8673	11696	9712	11100	7147	8726	9044	11894	11088	1	12714	11377	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C23 H13 N14 O14 nullnullnull 11.659874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55736	33014	46134	46171	23462	45510	58331	44254	53532	50368	56760	56039	43215	40499	28037	23553	16416	14033	15580	1	1	13601	1	1	1	17560	51416	1	20891	21360	7619	18670	18112	19871	21076	17373	1	26368	15426	22212	18771	21427	1	17816	21120	23333	1	16283	23791	30119	15332	38283	21040	21073	1	22579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.25 :111	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18807	213462	270688	274923	549922	70459	180935	174939	276834	269057	22052	227930	111315	1052167	149536	147261	193317	194163	144870	139167	210995	204556	575732	507073	483775	467975	166314	162393	785057	852820	573363	591528	707688	737282	202342	212809	763391	758409	594858	588245	18898	230538	555059	549372	251491	274891	385205	354730	170065	167347	276206	279912	237340	15651	439461	434754	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
772.7866@0.8650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29449	27580	20371	22705	22950	26910	22445	21507	22433	22807	13890	15611	23098	25597	9918	14588	19393	18339	24086	19416	17038	18507	11310	17933	20382	22362	13044	10698	23525	22526	21060	17658	17520	19913	10943	11263	21924	20541	26599	21434	24110	23305	22446	18310	25966	24408	26266	22349	18669	15532	21636	22520	22042	24183	25518	26050	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 1.1808915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52911	1	54963	1	23792	1	1	1	1	1	1	1	1	34793	42134	59591	58163	55137	112055	62218	64823	66616	282714	66122	76086	53524	73605	49281	1	554174	64879	88345	86737	34185	105031	60879	120560	136885	51916	60232	53925	56870	56051	66495	63583	55814	79039	63376	51347	355445	33396	50574	64133	56111	51973	1	1	42593	35987	1	42521	28031	1	1	1	1	35187	40963	31518	42143	47695	29921	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45286	1	1	1	1	1	1	1	31885	1	1	1	1	1	1	1	1	46308	1	19812	31160	6863	32063	1	1	22211	16815	5715	1	1	1	33754	23526	1	1	46505	7726	1	1	29840	31435	25192	20062	33965	27543
827.7374@0.846	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5440	1	7594	1	1	1	5609	1	1	1	13278	11273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17168	15716	14540	17600	18608	16814	1	1	18152	20255	8423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H N2 O10 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32853	32299	29332	33778	43765	41620	28672	29548	29925	36385	26867	21588	37893	37793	20434	20987	22597	23992	30397	34361	37163	36583	37075	36041	41597	37468	24727	20578	30238	28558	28649	29984	30927	32634	28771	24447	33346	36127	33059	34894	22938	22641	37163	34591	31428	29617	29501	28129	17837	21463	25967	29621	25332	26389	38671	36750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H3 N O5 nullnullnull 1.0121582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68427	62535	59951	58705	99385	97679	410477	41770	51138	57069	31278	33221	89268	90477	290018	41547	48419	44411	52933	57194	58163	63662	86057	66068	77346	75635	36162	27757	80874	70531	87084	86807	85776	87549	47498	71367	100818	99698	83364	90618	66019	60526	90405	82625	86511	80950	76460	66825	41164	34597	70531	64071	80416	71381	86010	83108	47594	43198	38918	39523	255425	259286	40663	38539	26751	25639	229319	42823	45776	50527	57522	50934	40619	45428	57328	63135	57615	54767	45863	51404	47144	48115	43685	41717	48997	48870	34676	35168	45619	44408	150419	148807	37407	36918	34579	35372	271327	41924	30132	24693	59124	62982	50548	54656	32220	28810	66685	66808	61501	63611	80369	80988	52635	51986	131760	131844	69118	69920	16302	15755	11232	68455	14569	12093	10880	54951	17808	15644	15498	200652	10613	74809	139858	10326	20956	182422	15944	14262	176747	166154	11946	65427	18576	149890	15278	16797	16229	132012	12614	7661	157171	144247
C7 H11 N3 O4 S nullnullnull 0.9010006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28119	22308	8477	28581	65322	68135	21254	19787	25463	21806	16292	18334	91606	89657	16076	16644	15829	16620	7019	7199	24162	19514	55723	59859	49943	57133	15571	17525	103339	103181	94966	102415	66920	61583	23340	24789	77216	73170	11625	66647	17964	19272	81793	84391	7055	7153	6295	27619	9684	10198	38382	38645	6056	6499	8893	8696	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.1263@7.363004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45081	1	32793	1	1	10137	1	1	15765	37168	31458	32307	32650	53535	8001	11596	1	6597	36743	29644	95870	130006	117070	41227	25598	43944	48174	37148	22922	53773	11902	43001	40519	51368	33210	16166	38940	45970	27075	23585	123106	45733	20884	37426	49135	33364	11798	11545	73886	79412	32102	71076	36877	40545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
877.9924@0.88900006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10365	10291	1	1	1	1	1	1	11728	11430	1	1	1	1	1	1	1	1	9354	10552	7056	9360	1	1	11948	11141	10389	9368	9152	8713	1	1	13056	10100	8917	9881	1	1	8288	7525	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.0093@1.8096673	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87037	50837	140323	193105	140310	149485	207188	1	162187	150845	1	186770	1	27276	449824	1582308	276292	137994	1	158074	187121	1	1	1	1	1	117937	1	1	1	196479	1	1	77585	1	217414	81931	1	62179	1	1	94870	1	1	1	1	1	221976	1	1	47269	1	1	1	1	237128	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48140	1	1	1	1	1	1	78159	1	1	1	90348	1	1	1	21488	1	1	1	1	1	1	1	1	1	1	1	1	30152	43442	20061	1	1	29636	24077	1	1	1	1	1	19345	20852	1	1	1	18186	19580	24753	1	1	1	21588	1	1	22385	26166	1	1	1	20017
228.1721@10.012736	1	38816	1	173844	1	1	1	1	99999	1	107844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	173102	106623	268888	1	1	1	192537	107685	1	173642	188933	70663	1	1	1	203775	181324	1	59648	88867	45808	1	1	171352	1	90258	135860	1	71217	158549	47353	73470	1	1	1	111761	1	10580	82275	115992	20111	18824	22291	58865	35473	1	1	1	78895	95974	54014	157828	1	180898	1	30987	51519	171081	180110	74950	28323	1	1	23729	137755	1	1	1	27880	1	198301	230404	51150	126401	1	81357	1	63534	80414	74089	51549	49552	198283	126096	130582	1	206706	1864577	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C32 H33 Cl3 N4 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22731	80131	61221	40514	15787	18148	20622	26607	21533	16942	19869	26183	15873	20831	1	20749	27880	16190	1	20268	30425	22245	22664	12549	15883	25097	35968	18734	18504	1	14630	1	19864	1	20623	17692	34691	17675	23660	25441	1	21159	22669	25196	22060	19050	21479	16398	25535	15923	17339	1	24656	1	31206	25112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
90.0125@0.9529994:3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	93564	99458	81853	86266	92837	92697	106414	97835	99443	98620	90632	97499	82629	87261	94179	90973	107028	115736	109644	108909	94795	111510	72659	73934	89287	94362	102048	103025	71429	67966	75388	73888	93346	92949	105559	103651	99921	97850	104405	108873	115610	122301	97623	94478	114165	117478	113292	122210	132376	122401	91228	94409	112767	101588	138270	127463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H18 N4 O12 nullnullnull 10.875036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	174064	163349	257048	185633	67470	179233	62993	306350	168692	161271	181192	180908	194980	192776	88980	115175	87995	19942	74232	101460	87364	39697	67167	78812	54303	18796	75463	61867	108892	131261	53146	59397	71040	42036	1	20842	68919	91646	75897	65585	84539	108472	99501	94426	101824	89842	105785	33498	69883	79778	100446	48895	66072	152739	147376	104095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
974.1123@12.1900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52369	1	16296	46948	99483	15482	18257	15274	16040	1	20284	1	22736	13940	1	1	1	1	1	1	1	1	17256	15680	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15300	1	1	1	1	1	1	1	14853	1	1	1	1	1	1	1	20884	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H4 N6 O3 nullnullnull 2.4502733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57073	30860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51435	38686	31503	54781	1	1	1	123416	229423	102449	140586	1	53438	36722	39374	154327	165256	109927	112257	1	45123	76193	130543	46473	49003	1	1	1	1	36203	1	50001	49918	1	49768	1	1	1	1	1	1	31046	41516	1	1	1	1	1	1	1	1	1	1	33391	1	1	1	1	1	50475	46982	1	1	29036	1	1	1	1	39164	1	1	1	1	1	53006	47108	37220	1	1	54138	35659	1	1	1	1	29041	1	36404	28516	72313	68169	29686	25759	69934	79127	95680	79375	55886	17886	1	24123	84684	80068	1	1	60790	54954	109800	110741	54873	50152	55637	53552	133405	133546	20281	1	98017	86737	1	1	55405	63749	28457	34868	52403	52522	109557	107123	81731	64239
89.0157@0.95399964	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19132	20102	20168	16738	19036	17518	18834	21260	18418	18699	15924	19064	16287	18642	23570	19020	21862	20488	20402	20019	21405	24884	17018	13374	17459	21575	20686	22160	14717	12525	15989	15579	20330	19855	23119	23880	23767	19252	19441	22033	25450	25575	22136	19851	23435	24200	22838	23110	24859	24346	20623	20050	21904	19801	29284	25355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Oxaloglutarate nullnullnull 1.268075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58621	57032	45228	37177	109628	104261	64874	62753	46092	45233	31291	31995	75629	72213	37875	32400	42974	44984	47026	44608	56569	51847	75235	71296	88851	89285	38810	39510	99978	99796	102280	107200	67559	64018	26748	26439	97678	101645	89511	99571	60816	59185	135281	134937	49062	50034	51065	55327	55116	58167	48042	48635	39872	39974	1	50827	13399	12317	14657	17855	10861	16821	19457	18341	12836	12200	15290	14160	15421	14026	17400	20237	13922	17145	15994	15560	14554	17343	15860	14129	16011	17678	15586	17906	14352	14271	11117	9769	14231	13030	15961	18292	13999	18310	16670	15404	16168	14225	13824	14157	22085	21158	15343	15445	16107	20256	68433	67498	85457	75531	63650	65615	51806	49858	87662	92561	68429	76492	119562	115342	65034	61902	71175	76890	58407	59530	119747	120388	99173	101790	74011	77224	154458	148725	116953	113568	69196	64655	96641	92885	62473	53900	118103	105288	61960	53882	108091	113391	145452	147145	105984	111646
126.0681@4.201	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16647	15005	16167	1	1	1	1	1	1	1	1	1	1	1	14747	15651	21759	23263	1	17697	23976	17692	1	1	16950	1	1	1	21525	18119	18416	22140	1	20895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Polythiazide nullnullnull 0.85800046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15599	18642	15784	12329	21997	19707	10183	8904	15796	15149	30008	28892	25551	24386	10262	8479	12714	10630	10528	10742	12868	11462	23216	22938	22318	22344	26161	25601	14624	16419	17143	17966	23164	23095	10519	10540	22406	21553	21378	21749	8118	9464	21216	20406	12420	13744	17044	13916	20495	18636	15587	16000	13677	14827	20895	16429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
(6S)-dehydrovomifoliol nullnullnull 7.3579936	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19090	16019	1	1	1	1	1	1	20895	1	13198	10802	38116	38197	9788	1	12297	7572	29027	52067	20475	53992	63916	32669	31118	21720	11180	21103	26442	58045	18659	17202	57302	31597	38479	32715	46253	48601	42256	23642	54705	48476	26990	31439	63618	53648	9349	10153	67540	73529	49686	36456	47242	59364	45414	119254	44795	36627	72471	68552	66153	48698	179214	34781	35913	39118	36779	94092	48884	36734	74020	18891	50318	60154	38012	45953	32438	145634	24267	36499	1	89230	81219	119132	95318	95683	19653	31634	1	41287	130819	33515	89160	17040	128036	133632	32138	88850	63781	68765	37313	29201	37167	17410	15621	22597	17000	1	1	125051	1	1	36269	12432	1	38386	66779	77353	1	1	1	1	1	1	32218	26733	40179	35968	47137	32824	6087	49006	1	9056	21418	40035	27369	23887	1	1	51737	11311	1	1	1	1	1	1	32809	22857
334.0715@1.2693332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17027	14929	7714	1	1	1	1	1	8474	9444	1	1	1	1	15743	62860	113920	121396	55347	37966	46789	38197	24002	22540	26269	24494	18964	23858	10895	13956	1	1	27293	29089	10672	13260	7906	1	24082	22599	1	1	1	1	7091	1	1	1	1	1	1	7633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
336.0663@1.5609998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1020721	1009778	486078	495607	1013351	1005397	439999	443422	324263	334137	266647	256633	1	1881018	578268	549590	416882	403832	566304	562322	413062	428347	1145415	1127929	1746223	1838619	79803	80621	1845829	1838841	688875	1455289	720153	1529814	1	306224	1031750	1023545	2205671	2178047	493885	484527	1056237	1018120	515263	507664	503113	503598	148667	144148	1108711	1170568	904603	866998	639679	572820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.9482@3.572938	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75345	21588	91011	27611	8274	42418	1	114992	19800	50389	94263	128872	49096	32277	15499	29449	21380	19141	1	1	1	43464	41567	227037	1	62267	1	1	1	1	38319	55720	1	1	52291	1	1	1	24954	1	82015	1	71397	1	1	1	1	176503	1	1	55799	1	49297	45653	1	29984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1251.0021@0.8900001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10383	9125	1	1	1	1	1	1	10716	10126	1	1	1	1	1	1	1	1	6801	7887	1	1	1	1	17000	14387	14997	12517	9805	10255	1	1	14113	15993	8818	1	1	1	1	10511	1	6298	1	1	1	1	1	5939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H4 N O24 nullnullnull 13.378314	86465	51150	106158	81138	1	126409	69376	111764	87132	64222	235933	47101	1	1	44005	1	1	1	1	1	1	77353	1	243881	81865	131032	167560	87205	1	169917	1	80650	113114	33083	61525	114087	145494	46723	118197	1	1	121608	162857	42540	175238	46526	181191	1	157756	144214	46738	40423	1	1	205813	51623	52814	168634	85463	38492	52290	36938	20842	56518	26453	49249	18109	46010	47231	50104	141950	54769	388139	133465	59614	10956	97177	1	17234	35829	1	1	1	126870	15004	97103	125660	88557	89765	149952	193248	84225	24881	107670	84341	53842	101664	100920	58208	231906	73858	166601	119876	185989	1	61513	128562	79119	128186	155224	125852	14415	1	1	14642	15232	137961	107937	35040	42347	127557	21316	133236	144571	63412	190942	201218	122237	163681	151034	23719	60312	183867	98991	117072	71517	60997	87634	80184	26602	118970	194171	120968	24873	17459	71923	65689	60419	107275	1	100650	114087	104357	26808	25929	124356	86539	22030	32114	15775	164521	40057	19601	73673	277529	119907	87607	87668	211061	50101	57185	55867	173415	59168	266864	1	188265	148665	116573	82726	69608	57504	150348	40157	59559	88123	175093	108837	149940	114321	211012	61243	213294	116295	272723	188154	198987	119495	208992	173267	1	174348	109413	81272	165970	57789	42397	1	232706	164703
1066.5817@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9037	1	1	6339	1	1	1	1	1	1	1	10075	10496	1	1	1	7566	1	7890	1	1	1	1	8559	1	1	1	8542	1	1	6171	9646	6829	1	1	6201	1	7926	1	1	1	1	6724	1	6815	1	1	1	1	1	1	1	6328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C19 H2 O4	40975	43495	48839	51682	35509	36843	41594	43428	43250	44786	36482	34016	33677	35377	37697	34349	45279	45354	41688	37293	35943	37111	40294	45638	38944	44929	43638	45290	52525	51845	12738	14100	13896	11597	9662	8510	12294	11269	10468	11624	14367	10498	15723	15872	1	7462	11284	13781	8864	10465	8152	1	18032	17666	10146	10958	12915	12547	20187	24686	31569	29804	30789	39784	21806	23508	32441	34332	26943	28104	51288	51929	14679	24703	23952	23144	17182	15977	12036	20904	35736	10896	29619	32081	18438	18244	20381	41278	30825	33229	38844	36778	22750	35048	50453	18823	41686	39452	29942	16289	40866	13547	30932	16006	36000	37914	16539	16838	19632	37275	21410	30448	18093	21915	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
220.9866@0.91300005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9488	7641	1	1	8499	13632	1	1	1	1	1	1	8217	1	1	1	8613	1	1	1	12616	1	1	1	16283	1	16179	1	13346	19412	17408	8259	1	20901	1	1	1	1	11910	12403	10984	10601	9230	1	1	1	8949	8933	1	1	1	1	1	1	10289	7726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
805.5919@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7302	1	1	1	7293	8611	1	1	6605	1	6068	5848	11058	7749	1	1	1	1	1	6617	6113	5939	9912	6301	7943	7490	1	1	10985	9597	11982	9339	9829	10745	1	1	7282	1	8457	7091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7972	6689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Phenylboronic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79034	80493	84168	81331	95606	88078	77582	77676	86058	80499	74366	74530	99563	99835	69491	67124	64982	63785	68291	68095	73257	76485	94477	86591	79702	84973	67700	70356	78773	78094	76090	79778	87727	88850	81484	91442	106981	107670	107367	107410	75083	79209	100791	96498	98796	96954	84542	89503	72564	65064	100285	86630	82892	82888	1	107034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H6 N3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	98543	98479	85050	89275	93601	93716	99374	97488	102153	99848	83841	78118	90034	91486	82573	69892	110598	104627	107046	114720	81839	91880	35518	31585	84689	78102	75156	83474	58522	56564	60149	60066	81348	75049	65578	62691	96304	96085	118285	123439	112649	115126	114516	13459	101789	104512	116292	110038	128066	126663	82286	93517	111857	111897	38760	129757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	200228	197713	206305	211863	212089	206770	210706	203112	199932	196272	155564	154769	145345	145982	241116	216085	228311	211949	210295	139193	139448	153318	152372	156799	174949	183931	150346	148983	127261	123097	158476	166255	161744	168906	149439	218374	210324	205674	228229	229231	252123	265291	249145	235259	265252	262736	263139	259198	218871	214672	258626	255376	267891	261169	347538	280480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
403.8644@0.8573521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	121722	129202	103578	102058	78632	82367	126050	130378	144625	130007	107463	118230	57255	55525	84105	77579	125832	122377	117504	123007	90036	83245	32887	30324	64313	67465	95919	95115	35249	36569	41758	41949	43687	47722	43656	39503	52096	48274	61535	60689	120948	112980	68819	64407	88714	97972	94565	97848	130498	125890	82541	85714	103723	104590	110497	112143	14733	12661	14410	1	1	12524	1	16324	13035	13041	16633	13051	13281	15206	14618	13869	13271	15344	18198	13124	14458	18084	20065	15852	13884	13247	13250	19950	13733	13142	12034	13499	12382	14167	13670	13409	15780	13165	12791	12773	7914	6706	12996	12902	13355	7560	14379	18066	12265	12874	1	1	9621	7169	1	1	8065	6212	1	1	8619	9033	11604	10659	7965	5695	6159	7001	6644	7719	8858	6972	8274	8294	9315	1	6988	8756	1	10041	7815	7986	6365	6299	7147	1	6087	1	1	8088	1	7968	7209	7875	1	8033
226.229@12.146044	152297	89373	57669	72919	196557	86823	74677	78970	76100	79005	88098	45957	202976	79851	112471	138331	225557	181104	253463	126803	92706	111578	42955	244230	111115	103828	94306	208194	95967	213053	142534	216710	80369	227374	244846	246491	253263	90782	97591	104328	171193	63458	52768	93458	223939	69788	89901	100948	224646	96937	104391	249990	104136	143818	107643	95012	98357	106822	1	1	37948	70982	1	116660	81281	1	27783	96203	82535	1	51060	33688	74888	85036	1	97996	34335	94382	122484	1	62485	116268	1	1	1	84480	101432	76571	70181	1	48801	88603	1	41778	135880	53047	108664	119398	35975	123085	108348	1	124303	1	66287	125650	1	47821	1	49489	50546	102132	1793060	35667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83900034 :112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16118	13595	14005	15914	13926	14672	21648	17293	16484	21466	20918	19034	15107	14800	33993	34813	43675	33728	24553	1	1	1	11291	9699	12314	11672	15598	20255	16554	14613	14629	14344	17218	13994	12304	14958	18597	18614	17443	18190	42145	40615	17605	16512	28941	29031	27636	25164	40353	41957	24391	28358	31180	31252	35467	24304	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C38 H5 Cl N3 O2 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10482	10321	12315	12385	28439	31461	1	6738	7312	8013	1	1	27428	25503	1	1	1	1	7859	1	8862	9854	24952	25827	24950	25786	1	1	18742	17420	21849	24568	22800	22149	10855	11534	26936	25695	25095	26389	6150	6788	24043	24281	14314	12911	13407	11468	1	1	10257	12387	11906	11086	13448	14598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H7 Cl2 N5 O4 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22984	21850	21058	21666	41780	42105	18127	19955	18834	17667	14865	13984	46619	47793	23010	23916	16212	14435	18551	16707	22774	20507	36568	32668	35012	34881	13641	12946	45583	42451	39552	44462	41196	42032	39911	35055	50482	50192	43519	45571	21465	19114	42675	40172	28396	27668	28749	25793	14384	14367	23019	25420	20534	22168	41558	31968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.1431@9.024416	60837	1	1	40504	41732	1	71549	129115	1	1	1	143522	1	1	1	1	1	1	88056	1	49994	1	54113	87108	110178	84208	103258	1	32718	115300	45957	38725	107931	30760	29859	43972	47732	1	139078	87377	125580	1	1	15264	132860	1	1	85846	28483	1	131011	44632	42957	1	174553	1	40013	149513	14655	1	11723	12415	18240	32193	11740	8485	1	1	8600	11252	26526	1	1	10441	28716	7758	14387	12233	25840	15633	1	19491	16603	15311	12692	13843	17111	18669	15288	14733	14704	16520	11047	20441	24694	22367	25443	25067	24357	19726	24866	22968	18625	28501	43008	20458	26099	23097	26756	25659	17431	15340	1819972	23275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.03@1.2876146	301892	286893	304335	296215	224699	226131	258213	263621	265466	279149	255565	254274	242277	245039	229135	234870	305898	292743	253082	252971	221335	231354	278434	283286	252101	259281	280322	280590	297659	310815	1	1	1	1	6538	7310	1	1	9652	9707	1	1	1	6832	1	9488	10457	12098	1	1	1	1	8197	1	1	1	8946	11618	1	1	1	6825	7348	1	1	1	1	1	1	1	1	1	7498	1	8518	1	6785	1	1	1	7914	1	9827	7309	1	1	9528	10067	13309	10859	8942	1	1	1	9641	9063	9594	9757	1	1	8942	11690	1	1	1	1	6599	1	10858	8246	8137	1	1	10177	10486	11533	14431	16000	13422	15395	53379	54422	12657	12086	14096	13934	26522	22181	11604	1	16130	16240	15734	15861	16325	17262	17522	18220	44085	45664	14578	16081	46017	44177	13438	11509	17246	16651	17799	14361	11111	1	15498	16088	12797	15341	1	1	16041	16056	12528	1	22821	22966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H15 O2 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13956	13875	10333	9605	11866	13429	9150	8518	11493	11680	10213	10720	14731	13800	16930	16112	12372	14650	12382	13633	13112	14971	18876	16074	18960	16817	12438	12802	16251	14840	16226	16934	16655	16253	20626	14797	16728	16641	15421	16205	9825	8683	12035	12813	13197	14325	14184	10965	9575	9258	12634	12006	13015	12852	1	15737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H2 N3 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26467	38689	41827	42806	69371	69334	32789	31318	40768	38475	31964	32059	107590	55482	27071	20779	37361	27329	25125	19453	20798	33797	63984	36151	60257	59748	22221	27622	77043	80695	70050	39435	87009	88068	34135	34228	85393	82841	48355	91886	32817	41357	71537	69859	49492	47676	62463	58777	36071	38726	52166	47923	43255	40185	1	66686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
828.9218@0.88900006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5723	7079	1	6520	9336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6289	1	8478	8719	1	1	1	1	1	1	1	1	1	1	1	1	11229	1	1	1	10873	10006	8102	7476	6778	6156	1	1	6050	6823	6832	1	6683	8270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Nabam nullnullnull 0.7904555	316310	295912	242238	284108	262085	250039	205178	209531	319612	337529	272086	271317	337004	265094	158088	115489	488930	333328	264815	221581	223271	248051	102663	114086	242357	241795	169013	172969	125506	110589	570672	571570	581004	589019	585167	578429	573812	592949	418757	423901	560488	570952	504136	533998	215240	243103	353727	354632	564285	591296	376128	372124	443945	430418	652954	654283	671591	694602	440203	444211	308081	306866	391634	394757	391308	386689	446326	455506	357302	342985	416707	418844	347676	29795	518513	527199	494765	455838	246018	279598	96928	70335	334352	358082	365953	383243	401681	411821	267493	356073	428365	429303	46630	274424	501733	506210	457636	475609	537207	542104	504489	488258	458611	487119	540832	540369	584185	607460	424944	431318	558488	558058	531184	613688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H2 Cl2 O nullnullnull 0.8810002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30573	32489	22941	22093	16100	17355	28336	30231	32112	35255	24252	24680	11586	11799	35754	33456	41657	44355	39270	28350	15338	17174	1	1	10889	11488	21424	24496	1	1	1	6572	8188	8914	11063	13858	9904	9922	13475	14133	33530	36484	16287	16290	27914	28417	25737	28408	41669	40453	21886	23373	31928	28401	29265	29008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Isoleucine nullnullnull 1.7580178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16791	13884	25555	81952	15950	14884	16784	1	17036	1	1	28576	54273	34265	54185	57975	40815	43994	118837	43318	65562	57821	105390	50449	41965	40348	224269	294338	67866	60619	44503	44782	78672	28303	142987	147135	81143	78585	47940	49685	115684	109871	42055	44251	72585	63167	22165	26541	47846	48441	47372	50721	114146	100542	47134	14708	16901	18780	15897	16757	65366	68350	12752	14623	15833	18369	28503	31794	15465	15439	18372	19601	20464	23011	22129	22752	20731	21384	51503	49759	18357	18529	56045	56132	15805	56024	21047	21210	19198	17100	15078	20468	22149	18266	17340	16465	14018	15462	22507	24605	15293	17098	27409	35152	132690	140716	179974	175544	114691	118195	131172	116433	477482	490561	197596	193274	221013	223516	31222	30896	98711	101825	24091	23833	85070	85018	152202	157105	74506	72389	105447	103716	146450	152895	32509	30270	138670	125164	37189	38189	69676	67601	37656	35125	79275	89454	115819	116567	105605	105137
321.0701@1.5439994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6555	12371	1	20849	20718	6307	1	11136	12177	1	1	11573	12753	10366	10387	1	1	1	1	9267	7692	10256	11143	12576	13283	1	1	22205	32872	17677	14734	11929	11942	1	1	35456	36982	15026	12871	9428	8077	19273	20160	10805	12898	8546	8298	1	1	14035	14576	11781	14814	21084	16852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C3 H9 Cl N3 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43927	42306	36492	36157	46420	38868	24930	23330	1	1	61477	58379	27804	23681	1	1	1	1	21442	30156	43803	43651	28951	30454	1	1	45148	50533	14977	16433	83983	86233	38300	52545	62087	60631	79455	76293	50253	48066	43678	43756	39440	42839	48201	47645	1	1	41099	39709	17137	1	70534	55515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H53 N4 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21282	15371	26974	26337	76052	23584	30242	28588	1	1	62376	38283	114026	33634	17655	1	16946	11646	11733	1	95622	78262	1185187	351739	90270	42161	43997	35176	1	1	14327	23267	53107	22203	1	1	147958	27894	122849	25307	27256	13982	153107	74660	17332	16713	248117	37834	10623	11202	101025	50082	13761	16123	77626	21886	54251	63047	74795	68062	49351	42592	50038	50531	35936	34436	68511	68655	73832	79608	98457	67890	53137	60379	99403	95354	65764	61407	53263	49129	75530	69734	73129	80712	53730	101582	38818	35155	65205	70935	29759	27609	50224	61405	49435	45054	84157	73846	36712	30663	38226	43453	96283	76792	51168	43684	62774	65866	53959	45667	30716	28545	16408	1	61023	20415	312410	262450	27093	16764	24003	20692	46952	30234	20784	16717	34266	1	49541	18703	32410	28157	24957	24356	15671	1	32744	31974	64720	1	25310	28124	242607	17892	1	1	44754	1	111026	227249	31155	19649
553.0261@10.274332	12466	14218	11334	11199	12996	13522	13035	11721	12250	12030	13731	11722	12357	11438	12404	10803	14420	11992	11192	12523	11012	11980	12907	12553	13870	13389	13463	12559	11382	12803	13827	11872	14785	13968	14842	12723	12565	13508	12826	13297	13652	12174	13295	14994	11550	11851	12651	13930	13002	12951	13252	13990	14947	14541	15585	15296	14744	11903	1	1	1	8003	1	1	1	1	1	1	9403	1	9645	1	14124	13029	11718	12844	13095	12049	17976	15878	19880	16108	14507	15219	12961	14251	13652	12559	12779	14494	14119	12465	10212	14472	15681	14959	15860	13975	14737	15250	15143	14243	14376	13562	16965	15541	13308	13919	14145	12870	14560	12747	974036	14797	11660	10294	11141	11000	11089	11313	11059	1	1	10014	10488	13029	1	10543	1	11367	1	12156	12075	1	11938	14034	10525	9856	10513	1	1	11012	14377	1	10049	1	1	14996	10689	10881	1	10509	11156	12848	1	10086	15630	1	11414	13117	1	1	1	10436	22727	23426	21906	21329	23518	24035	22481	21574	22291	24784	24382	24206	23679	19938	21969	22000	22607	19664	16908	18257	19338	19821	18885	20767	20814	17860	19204	19004	18302	18325	18346	19796	19061	20790	18051	18981	21184	18436	19154	17644	20287	19084	17866	20237	19058	21420
366.9991@0.896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11399	12617	1	1	1	1	1	1	16272	17615	1	1	1	1	1	1	1	1	12573	10569	7636	9231	1	1	19573	20093	15945	15885	13073	12446	1	1	12453	12559	11242	10207	1	1	12905	13126	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Adenine	13844	8769	162366	27776	28503	19864	28649	133777	25779	15506	13459	65273	22461	84980	65360	10415	86526	92503	19777	26959	19219	9761	24400	23203	31739	29920	8898	13342	27976	29142	12946	19598	16245	17047	7829	1	1	1	16600	1	16610	15484	1	1	22182	21155	19664	28612	7872	1	1	8749	23730	11878	1	1	22592	14622	1	8546	5910	8286	10248	9412	9455	1	6331	10185	32134	32743	9273	10460	1	1	19481	14367	1	1	16388	20557	65175	73901	32656	29562	21355	20642	29567	33896	13896	24944	40961	44484	1	19976	54825	57456	32468	36143	1	1	22718	19814	20499	21815	23138	22633	12839	15252	10460	10364	1	9709	42870	33658	67378	72410	13199	56528	61810	74660	65847	59471	60776	36691	71869	55716	52252	52298	51079	55455	120640	130395	87951	76519	53987	53968	64644	67457	76054	73235	43818	51794	71532	68544	51196	43427	70323	63487	37628	47486	37189	17514	51332	58698	35841	25243	77762	69537	103585	70879	37956	59504	69326	56641	32676	28290	39219	27868	29285	20687	43604	1	40559	59155	25104	23671	47276	52494	32592	17136	43051	35542	23090	11944	45820	53803	42717	50857	30500	30436	29352	43201	50657	35718	19230	39407	40220	34568	25999	37639	46668	41958	23218	24050	32868	40622	66463	44608	52502	37299
753.4012@11.201998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16230	1	1	1	1	1	1	1	25946	17863	1	1	1	1	1	1	27787	1	53346	67710	33747	18811	1	1	1	1	1	14438	18402	1	1	1	27915	1	36668	19596	1	1	30010	23281	1	1	53449	1	1	1	17380	1	1	1	29977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.74195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50278	50720	45852	40442	30604	42124	43023	32420	56389	46035	47697	34289	42765	27153	18224	22325	15769	18070	16344	18733	1	1	1	1	1	1	1	1	16980	21396	17240	53925	14325	17386	23091	21647	19036	16362	14831	20815	1	18229	1	15529	1	15102	1	1	19422	20748	40267	16542	14999	21258	1	16068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
613.7567@0.8544725	39200	32176	36164	42154	31250	26640	34991	38055	38235	34076	27298	30199	38022	36254	22790	29815	41265	35097	42488	35873	20491	34212	35067	30959	34250	27078	31653	33614	38396	30891	28156	22642	28317	28727	23554	25743	28227	28428	16906	26138	29767	24050	19883	21710	21207	20177	20464	20352	23967	26381	11465	11365	23472	22270	29233	25692	27500	29598	9332	7437	6532	1	11140	9913	1	1	7293	7229	8288	1	5919	7955	1	1	1	6807	8467	1	6314	1	8757	8653	7826	7678	7010	6303	8108	7948	6492	6681	5843	6253	1	5730	7443	9161	8197	9526	6794	1	8869	6894	6147	6431	7101	7786	1	1	6068	5579	6529	7036	8740	8297	6891	8215	9373	12938	9604	13005	16358	15194	6975	1	11524	5688	12743	6954	6749	15738	15132	13822	14921	14965	9623	17994	10974	6025	7510	10196	14505	12890	6586	11123	10803	17083	9035	12676	12426	11960	16756	19469	1	12150	9435	11441	6167	7213	12786	9854	13139	16864	6476	8401	7997	1	6263	8926	7331	1	9053	1	8969	10255	8900	1	12375	5659	1	8629	7500	5175	1	1	8880	7523	8418	9737	6427	8230	7602	6470	9540	8833	1	7893	8819	9154	6016	6931	9132	7718	12563	1	8102	7206	7678	7209	8112	10374
215.0268@0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17846	20834	10508	1	1	1	1	1	1	1	12161	11316	1	1	11472	10821	1	14650	1	1	13112	1	21661	21397	11048	13293	11861	11463	33404	35704	21033	1	1	1	12378	12646	6086	1	7206	6724	1	1	1	12813	10254	11445	9479	8260	9575	9258	14433	15264	16186	15971	14493	12039	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H Cl3 O5 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33531	32255	25301	25016	28935	29742	33538	33155	34856	36382	27195	28574	32085	30878	21596	18158	39088	40884	39538	35697	23377	24981	18048	20280	21489	21140	25924	25494	26755	27871	24039	24809	26265	27550	12769	12732	27368	25900	25074	27451	30173	32198	23982	26197	25475	25607	30541	28783	40885	41648	21220	21751	31599	33086	33051	34622	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
382.0968@0.9759999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17788	7517	1	1	1	1	1	1	1	1	12545	1	6618	1	1	1	10853	1	1	8063	8684	10278	1	1	9702	13980	8091	10001	1	1	14052	1	1	1	1	1	1	1	8629	13705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
830.9172@0.89000005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7451	8092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6918	6266	1	1	1	1	1	1	1	1	1	1	1	1	7018	6272	1	1	9234	7927	6631	6424	1	1	1	1	1	1	5902	1	7092	8010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H2 O4 S2	43298	44269	43145	43846	47483	47622	44397	44604	51526	52384	49591	48122	47221	41763	38701	39409	46042	47546	45417	43626	44631	48886	44394	45300	48654	45154	43247	46839	41021	44938	60342	61266	52601	57669	72581	68907	65148	63801	56914	55159	62956	59422	61130	66059	41397	42196	47105	52023	71116	71703	87921	86394	60378	60566	81554	83101	58028	59192	30879	24740	22884	23240	13319	10111	31384	28526	30162	34510	27493	29197	9942	14261	30697	31904	32993	35151	28517	23151	11161	11631	1	1	1	10528	21457	22702	15599	14175	9585	11425	9748	9592	13783	14488	11515	9234	10412	1	25207	23285	11435	10026	13428	17216	13733	15743	31160	35331	11996	12633	20525	20240	15876	17887	48129	46540	50200	52290	43727	43882	48341	45226	63128	66019	49212	49601	48415	47183	40417	42444	47346	49091	39942	33347	42529	40437	46867	47151	41092	42282	46202	44819	46571	47507	51816	53654	51053	49291	59118	56117	50522	44881	49259	51970	29812	30259	54452	53660	29453	32869	39930	39809	45892	46216	38223	34894	62329	64566	62560	60599	87700	84725	42535	45790	71654	71797	56996	55323	72132	68442	63173	60430	74506	79660	47030	47868	32970	34831	70809	71694	41016	40206	44958	41214	66787	65745	47928	42728	66089	70980	51162	49770	54489	56069	51121	52428	35591	37859	42219	45668
C10 H8 O15 S nullnullnull 0.83698165	97392	98368	95403	97132	117235	121031	84624	84627	96277	92993	111486	109834	107710	101255	107912	102068	92820	92893	105338	96583	116236	123121	81149	81076	116682	122928	112175	111217	89215	97192	178593	176513	181243	173970	180656	182838	181598	174814	178514	179133	169147	179617	188271	185503	186865	186187	186138	185892	196268	209211	195907	185398	200642	200231	203045	207138	195001	198461	75326	75907	82003	79041	51949	52257	97917	88975	92842	87818	88578	88726	31290	30486	133696	126873	137351	129826	99538	55134	40467	44595	26136	29324	40703	45442	76723	81723	23082	24799	35323	34743	38120	38810	42501	82319	50286	50285	63051	64310	140832	146506	79170	78162	114021	115634	112747	113033	151581	149253	114083	113070	124734	121955	166370	126498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Malate nullnullnull 1.1897148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	142886	151974	281986	290548	705347	717576	136735	138042	204655	210150	170955	149995	1131436	1190455	1	1	136857	144090	135067	130405	295241	329578	884712	743096	525967	532575	192651	190692	1352200	1422064	982976	1009180	1068100	1113704	1	64476	1028287	1101013	601701	606931	201639	195961	638177	661241	365337	370206	507105	462639	100442	99660	1	1	112449	111135	1	486228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12218	13403	1	9530	1	13784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15796	1	13796	1	1	1
125.0155@0.8870005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6088067	5993540	4967781	4928941	6482982	6549326	5847853	5814177	3533521	3519838	6081954	6075858	6278590	6213153	7149842	7107666	5706368	5724961	7342973	7487660	6943617	7010333	5907474	5922863	6452752	6461212	6597600	6603951	6513298	6553162	4785125	4806671	5599941	5483675	3486906	3534311	6126805	6103484	4669013	4748337	8617796	8807660	3845077	3914400	9377683	9347601	7663412	7476346	4425048	4502207	2215711	2234398	2165819	2105133	3274931	3300832	1885142	1882553	5728627	5807461	2634730	2684021	4187686	4164295	2433882	2340547	3009951	2993425	1761332	1770666	5728981	5630219	7906486	7908496	2668110	2718745	5617860	5496628	6561720	6512255	2456818	2473566	6200793	6189940	2365795	2382587	5376092	5330738	2454669	2467773	5200182	5174799	6350244	6348569	5985796	5932628
Dihydrouracil	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18910	18129	1	1	1	1	1	1	1	1	492144	482886	513147	512818	755784	790198	322855	306714	309371	309829	1019097	1024759	1173656	1178575	614926	615396	1296258	1271726	427875	402530	3267214	3303261	600358	614503	847515	825232	4798071	4753733	707055	706791	521514	523344	624094	633842	585055	593584	3487744	3411975	325234	322727	2843125	2844769	5065848	5113144	790718	750208
Ethionine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10058	11734	1	1	1	1	1	1	11390	1	1	1	1	1	1	1	1	1	12370	13459	12213	13505	20994	20126	1	1	1	1	1	1	10209	1	1	1	32251	31221	1	1	1	1	1	14833	1	1	1344618	1361554	753820	757697	210688	199274	92039	83373	34550	31744	4455082	4396328	1358215	1402869	1574159	1576053	836630	824314	3570142	3552232	1303752	1300311	23008	23106	4127393	4114610	1683998	1665942	22774	21081	1590203	1581358	55655	55465	1143494	1120206	1736029	1747557	311638	297157	1828222	1846993	1832974	1783699	132817	137070
C8 H16 N O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38137	34306	141781	145706	156441	159453	172688	169654	139317	138072	284290	292935	698316	703035	182090	175893	1595406	1572006	125286	123449	1496097	1516841	196239	185010	870776	867743	1229826	1224119	524603	523997	175080	170852	240025	238297	158903	154431	2153378	2244665	560769	551835	978248	985176	2696965	2721067	696161	689876
202.0453@1.2688448	1695422	1717886	2724507	2797492	1646546	1578698	2556031	2528654	1860763	2028469	1515028	1543532	1556043	1564727	1501013	1458888	2078160	2261174	1721763	1606505	1420690	1470291	2168412	2218031	1805899	1911498	1840126	1880628	2805432	2801252	1292938	1270816	1353017	1283187	861101	846128	1139913	1125762	1195204	1179798	1231678	1224865	1276934	1315528	806810	803525	1430774	1426226	727216	729815	379023	395797	1567571	1475956	680272	641680	882969	907562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2929658	3049974	2777081	2781087	3297932	3357634	3432991	3436344	2506074	2467429	3237778	3211412	3113114	3143686	3447860	3474723	3522743	3621190	3784272	3740510	3268829	3194323	3431087	3491221	3378716	3523365	3109476	3160056	3482475	3373102	2786276	2811660	2719434	2753746	2059843	2073875	3020237	2985122	2416226	2402853	3595854	3576026	2431418	2419821	4202563	4178568	3636700	3565848	2622725	2581540	732088	698007	687042	672556	524687	508362	332091	325070	1137363	1133860	931291	924784	538084	554472	578231	585681	941660	922035	239837	249070	819870	815789	1396373	1372688	741736	708301	719025	718572	1065315	1078843	552174	554841	1074460	1030431	670141	669479	1008348	984282	480339	468040	937162	965401	745429	774952	828786	840905
708.3381@7.651782	1	1	1	1	1	1	9230	10375	13162	9107	1	1	1	1	1	1	7867	7352	8305	1	1	1	1	1	1	1	14048	14204	22044	20451	26816	21400	31452	32369	13275	12136	27367	33324	65408	62409	18556	19764	18929	18355	12604	15646	47241	49541	1	1	1	1	90138	90455	1	1	35073	31546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17485	20041	1	1	1	1	1	1	1	1	1	1	16139	16807	1	1	1	1	1	1	1	1	1275412	1270803	1569906	1579460	843516	837349	547138	556914	1	1	2334876	2352451	1333230	1353785	2510014	2464158	2211840	2195791	1937554	1948392	2013804	2005347	8177	9717	2034704	2007085	1923831	1936591	1	1	2656125	2704205	13912	12316	3508677	3499532	1936504	1869923	264942	259762	1556522	1550484	3486532	3545539	444189	443366
C11 H15 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46232	40397	152781	146530	162082	162762	76647	77901	114387	108485	886218	880061	42828	43356	756892	705812	31725	32236	1808814	1797908	116236	119572	307580	290624	1073875	1057108	403483	412831	41923	35587	176310	175854	46081	47159	2249053	2268045	500149	507983	801344	788537	2543064	2504495	667735	675067
204.0268@0.93524575	1036923	1060242	1051489	1065389	1046393	1016647	974191	976874	1286166	1270891	1129475	1119886	1099631	1111718	794332	795581	1246394	1243863	1090215	1107151	930051	939558	743825	791532	1102968	1127369	910334	906452	847401	862967	1151312	1126533	1296380	1330788	1152993	1164659	1271995	1249289	940763	933534	1252740	1240351	792397	781105	542371	727445	656634	877204	947318	960691	613680	625081	931539	920422	1122110	1109419	1279979	1275606	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2501596	2528226	2741733	2759959	2857339	2863535	3054873	3023240	2362729	2385768	2609915	2669423	2653049	2665923	2288030	2259339	2792013	2800914	2245109	2255826	2521037	2531758	2921262	2990484	2714668	2774131	3010468	3022658	2458354	2433882	2986754	2954239	2568699	2596600	3006696	3001811	3070947	3068111	2797429	2747955	2009994	2027063	2477956	2464939	3407257	3422015	2485629	2482121	2556159	2608500	1878513	1889952	2020576	2042867	2078529	2127183	2355274	2358053	2313791	2340200	2377123	2428310	2183404	2215589	2122859	2070178	2481714	2501353	2013159	2006898	2876775	2808227	2878648	2796717	2545906	2592396	2358407	2308652	3260576	3229235	2081703	2096891	2797216	2814418	2148399	2165442	2835224	2839800	2042301	2031535	2834940	2826380	2173788	2171118	2589745	2527872
206.0229@0.93699914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2351763	2382995	2526797	2562990	2802324	2768115	2859402	2885651	2254974	2260442	2548348	2566347	2442458	2474625	2156613	2116375	2651689	2685034	2180820	2143911	2363313	2361765	2823403	2831808	2578427	2613440	2875327	2883244	2324219	2273620	2855809	2845600	2394633	2396949	2760083	2795694	2871157	2870333	2566841	2540913	1779694	1798182	2239797	2215570	3204223	3192435	2256251	2242048	2161248	2286873	1708696	1742941	1814575	1921794	1785280	1789227	2126780	2104433	2089359	2100100	2140628	2216854	1848640	1867414	2003146	1962182	2419389	2421671	1891516	1880357	2444488	2463447	2572339	2586163	2396055	2408047	2094033	2068766	3030197	3046358	1989700	2011236	2618327	2636034	2061565	2035456	2542438	2541980	1540596	1544935	2367696	2394789	2006202	1994084	2037107	1997782
7-Mercaptoheptanoylthreonine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42199	42782	164455	165416	135984	130955	37964	31147	93590	96570	689793	690388	25844	27603	483064	484432	17457	19245	1510915	1510614	59714	53943	208415	189055	788637	766429	173194	188632	19873	23040	98935	99665	31237	32983	1955926	1998610	361782	380985	542734	552493	2168762	2231078	648460	645901
C14 H27 N O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57393	57186	89281	88160	189825	207816	42405	42405	14801	16154	296033	294241	313265	308057	161766	156976	84726	84473	109737	112942	1714127	1696636	20752	21903	89130	95015	1740575	1707508	61009	62418	94948	94467	58755	55631	82450	81270	2481503	2459948	26461	25859	1119140	1131325	2583672	2580515	492724	484944
C11 H16 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39661	38782	81974	82200	72423	75060	46554	38964	113352	107022	408595	415649	29428	32921	379427	373334	14499	17059	1447673	1441595	61996	55678	157361	154442	723188	715721	214794	219549	21179	22133	110267	119997	34417	33975	1938982	1912530	229883	235827	464095	471305	1921957	1901681	714921	724781
C10 H13 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21533	17121	58674	65580	137632	141571	159625	151757	176889	181788	130827	125618	735152	750480	81158	85066	1070243	1041358	63619	63438	947030	953202	274706	289566	474888	463392	788986	781167	604077	621838	80454	75612	169953	305703	70153	72718	1335011	1346346	514205	516644	627059	622244	1691400	1646541	541823	527526
C16 H29 N O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34809	33158	58745	62233	169393	172222	32019	30255	1	1	175887	172098	310779	325599	116142	118447	63308	63875	96880	100417	1098981	1104293	15756	13811	71878	70816	1153447	1124230	37120	38692	74516	73210	26073	23505	55980	57653	1572402	1571621	21630	21420	741485	777703	1765223	1766749	314862	322178
268.0808@1.909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	491495	495191	1112146	1	261453	247535	663998	644995	212395	220194	1162790	1150271	1824513	1785181	506801	514342	1189042	1143092	1435689	1435170	273512	271908	1299611	1303734	203363	202216	1190874	1188956	536698	528053	1098698	1099008	1450359	1404735	1377937	1390177
347.8855@0.8820009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1144262	1120539	1290555	1303702	1265195	1251754	1290535	1303635	1424789	1412434	1234388	1271072	1153690	1152793	913045	910322	1270636	1286163	924217	948082	948207	957085	1320183	1320567	1040869	1040420	1375680	1373196	1133960	1122734	1532129	1521302	1294627	1281552	1553305	1552011	1422636	1429759	1347456	1387507	795596	815630	1315832	1362263	1073663	1099654	1048604	1006852	1124078	1112459	718695	696233	1169520	1174421	1054027	1069219	1475164	1452866	888610	894705	1381950	1423143	882124	869218	1187414	1147489	1325368	1316760	1259124	1255080	964531	966190	852198	866240	1455775	1457996	817998	802692	1139941	1113182	1151573	1128271	1050418	1065946	1162914	1174168	1048023	1045478	697062	713706	1110200	1084619	715682	720624	868972	870111
136.0387@1.2760009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67905	68539	19992	18227	49598	37121	37545	48231	52583	49702	53883	66746	36218	37178	33092	41076	42867	52781	53946	57378	121426	121918	149710	144026	50985	56131	42489	48759	64288	70793	55560	54647	31301	28802	50689	52926	37236	38174	76763	74834	84265	78217	25464	32527	58133	60926	38503	30928	49579	49456	641743	635651	845918	844627	572968	565106	442239	435721	965827	1016482	840942	835610	1271835	1241781	782517	780071	965732	950514	571947	573074	1527257	1563806	1540358	1555872	925991	902579	1577178	1545598	1606672	1649709	734074	721231	1267629	1271222	670864	676909	1330010	1318016	511433	500152	1287857	1307836	2007037	2040733	1117876	1096972
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) nullnullnull 10.218996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10744	9456	14103	13881	23751	20146	13874	13129	6956	1	1	1	11042	9730	8233	10051	1	1	10832	11384	10027	1	11318	10053	1	1	1	1	1	1	8071	7961	1	1	1	1	16185	16275	1	1	106862	104913	1	1	28637	26442	1	1	12141	11904	524282	537458	572262	502088	68397	59964	25694	25717	532579	462904	1327938	1061382	472087	443076	460665	442321	842765	719592	360331	363400	782555	684091	288040	258292	516138	483687	580254	567072	445945	420199	463770	446457	643098	510737	542468	534167	1510600	572713	22552	22599	862746	722411	1437664	1991979	717206	632543
745.5699@16.247992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	300182	335555	339112	250292	503984	244786	123339	73361	334311	112917	1403052	972909	91279	40371	68458	48436	382948	217167	122028	106111	180723	49376	372953	173922	108012	83464	134960	115688	180682	94673	128239	118846	390601	94616	122326	111677	1425067	81677	67554	39450	377461	137218	825411	1432060	320878	160096
C11 H18 N O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33412	31266	37983	36429	50235	44392	31838	34422	94575	93734	482933	458805	38911	39145	605767	611077	29815	26388	685353	678853	32613	34439	247941	251564	436939	435046	165176	170060	38630	37872	83611	89089	50341	49648	972854	1016507	152200	165554	438684	413108	1094221	1081756	338519	335003
612.2644@7.302001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113200	112596	97237	99859	152135	161850	186573	184438	1	1	401663	410289	768860	780494	1	1	540925	531631	90286	92225	1077976	1058272	1	1	349520	360671	787891	782979	1	1	82514	75947	1	1	41186	42857	1024157	990585	165090	160936	471935	484512	1422634	1453431	214220	212460
C28 H45 N5 O S	11925	1	1	1	1	1	1	1	17113	10282	1	1	7214	10983	8697	10773	1	1	1	1	1	1	7603	7638	1	1	11454	14577	1	1	12569	15056	17888	22261	23834	16807	13302	10322	10014	12551	27970	28709	1	1	16517	16529	10368	9682	1	1	1	1	17395	17406	1	1	21110	22507	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118348	120987	81568	87713	173529	177063	120521	116020	693854	696573	230591	238052	538945	538849	116518	105896	211480	213813	102822	101074	1044910	1072536	1133761	1143341	176478	177834	648935	642713	1339773	1321366	137755	130825	1081530	1087762	116050	117688	1087551	1010158	151722	146348	536858	520531	1375074	1365432	663226	663105
C15 H25 N8 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12039	13256	33095	30716	81118	80564	21136	23243	8224	1	68798	65724	89023	85223	39614	38463	34751	34074	21124	22891	733723	700130	12467	12074	32565	27778	596519	596807	32662	31376	24847	23976	29691	31792	30764	27381	1139806	1091163	22167	19683	377466	376988	1025076	1020158	291099	287219
C14 H25 N O6 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38933	34350	51473	48648	119389	127708	25587	22831	1	1	200190	203921	283433	285929	114821	112936	57309	56972	108571	111252	736583	741531	12763	12090	96620	100147	780618	767104	24986	26477	72108	80603	16614	16499	55929	54774	948890	943157	16950	13460	538798	567250	1160463	1164149	169282	173056
724.4089@5.761001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8278	7895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28841	30342	1	1	1	1	1	1	1	1	1209526	1232675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19015	18299	1	1	11925	11693	1	1	75239	86981	48605	46364	1	1	1	1	233357	223315
636.3567@5.5370007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9935	11544	1	1	1	1	1	1	1	1	1	1	1	1	6609	1	1	1	1	1	1	1	1	1	1	1	7451	7530	30958	33231	1	1	1	1	1	1	1	1	1168951	1169326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22833	22566	1	1	12851	13453	1	1	85733	96247	56381	54186	1	1	1	1	229052	235452
C16 H16 N3 O8	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31883	33595	11592	12264	46681	52598	27191	27922	34028	34443	26416	24669	19676	19925	50684	53989	31461	29403	30125	31789	56069	57920	42109	43368	37816	36885	17459	16785	52561	47977	33730	36253	27868	27482	56231	53437	40281	41832	47587	46857	75616	82512	93596	94461	39033	35279	30496	29912	82956	86058	34728	32601	58503	58736	31428	32361	22486	22155	940716	963789	35401	37209	66726	66199	31797	31432	56354	56733	19967	18690	34451	35960	63701	68702	47425	48536	31899	34825	38568	36517	25768	24152	51580	51239	20886	23993	33562	34420	76814	78459	29935	29641	37794	38200	221924	220505
C24 H27 N2 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8423	29804	27263	98728	94451	28401	29898	1	8764	57901	61036	125528	123401	30881	30270	56184	55111	21286	21736	723973	706066	11249	14489	38467	35551	492323	513338	32893	33707	20854	20514	16021	19082	23500	22197	995655	999699	31934	35496	342390	340687	959143	958533	265867	268793
282.2555@13.41399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23737	28473	1	1	34613	33571	18609	19939	14095	8622	25367	28900	21574	24817	37261	38713	19657	26233	58118	51329	34147	33539	30068	18586	33683	31617	44482	54182	38437	34192	10802	16995	10505	12977	15647	1	21600	30567	19275	14627	103488	79723	15846	12169	51156	51280	45129	47496	18611	17816	104587	129273	157108	95071	94393	44328	60593	32076	68640	27702	615140	455122	49205	29103	32290	25826	163787	87913	50027	38455	40173	15728	80034	29754	52564	39644	38435	27348	41829	25025	62195	63054	89103	22412	42627	34564	453036	28474	35821	23185	101952	39807	245568	458065	81794	37022
C14 H20 N6 O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32390	33949	89267	84511	65149	68258	78673	71439	63500	60858	158999	163128	302537	301447	128922	135384	1011530	1011790	86896	87908	486069	481194	90324	94809	530536	542869	466603	465106	224906	217032	112495	114865	105748	108871	104663	105786	768894	755398	282286	281938	410223	394019	979697	982629	231825	228099
L-Histidine	1397771	1397957	706122	730608	253184	262484	961509	982796	577512	635431	330912	359279	685552	679124	806063	752309	1193194	1141797	862273	845859	430577	443192	1023009	1078277	416017	468959	1062388	1064408	1298666	1308416	62501	61618	102397	105112	77948	71446	76429	74267	128258	120779	78651	82697	67294	68118	82582	71399	120714	117122	29073	26805	65021	65871	170627	164737	26312	30791	152689	146832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	360698	393795	433240	446748	311731	317146	611055	639644	195223	197644	414583	434818	524447	533796	456952	476277	360509	358911	545647	530118	429588	430592	404742	403410	750542	714381	444487	432649	691731	626418	352165	355595	469204	449813	224666	227472	361985	370508	248757	248759	517941	535616	221188	229857	605903	566776	516338	474547	238589	239222	338663	335912	194682	185666	182106	182613	123994	116335	762001	745146	281780	276467	302422	303607	290198	276218	383104	388086	194005	195140	586924	534527	1077657	1046958	365742	369460	641067	549231	663859	672278	308564	314185	657165	582978	196262	189370	672740	650547	156355	151010	509646	533417	638852	589279	684825	626515
380.1221@7.856955	1090684	1130087	1433798	1439687	650356	619318	371913	365434	1034660	1022461	603308	608840	593298	600257	577240	587822	659576	704230	530239	558621	754133	840667	478435	519591	276136	296181	778271	769094	470318	484176	1	1	19728	22042	213579	216896	41706	35509	239590	244421	42557	44432	27734	25539	1	1	173318	186647	17087	14252	47650	52335	279095	281539	25814	25228	136677	138772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8533	9149	1	1	1	1	1	1	1	1	7603	1	1	1	1	1	1	1	1	1	13937	13007	18288	21167	10888	11611	1	1	14157	13851	12382	12687	1	1	1	1	1	1	10010	10027	1	1	1	1	1	1	1	1	1	1	107974	102673	503391	511801	1	1	1	1	125887	134132	399612	397419	274135	286085	316211	308654	790873	789927	299566	304692	579783	567229	141097	137695	460169	444546	142742	141683	346345	346044	1200725	1205851	346029	334365	313328	312084	237122	246436	14237	15600	256402	256810	462674	451551	307156	313252
C31 H51 N5 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	73319	73208	47160	44453	1	6937	9123	1	528554	531417	23754	19067	17596	16318	62045	63400	27534	28625	48245	44806	19720	19461	696724	670471	22469	23578	20757	20974	980898	997575	58270	58223	736069	732705	92466	89258	12059	13855	9203	13531	1	1	83881	88272	282201	275975
592.3297@5.4069996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10032	8600	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7917	7242	27039	28075	1	1	1	1	1	1	1	1	857970	912733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18393	15922	1	1	10592	12691	1	1	65148	73048	43926	44950	1	1	1	1	186447	191222
C7 H8 N6 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	82053	77071	63628	66446	95378	96152	270148	265324	45338	39585	331034	332108	51923	47501	404390	395453	71709	72503	391788	402891	101456	100626	98133	121611	336021	345665	428549	429124	353048	356332	75900	80033	65028	71695	66114	72187	360306	355824	78163	75112	123900	122280	55274	54509	188177	189556	376360	358570	62373	76436	17240	13950	25112	24738	22266	21624	29504	26114	16704	17600	29035	34794	28793	24253	26720	24735	22589	29313	18364	20522	19043	22367	21710	43620	27522	24938	17575	14701	56317	42394	24434	20936	39372	26778	19753	26189	21087	16562	16581	25088	21511	22725	22509	20815	24347	23174
N-palmitoyl taurine	12053	8714	1	1	1	1	1	1	8113	1	1	1	15498	1	6895	1	73928	12283	14791	1	8690	13920	1	1	1	1	1	1	1	1	1	1	9524	8954	1	1	1	1	27972	21186	1	1	1	1	1	8719	13051	1	1	1	1	1	16339	8831	1	1	11157	9099	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15039	15347	1	1	1	1	1	1	8285	9807	12083	11933	14237	14166	14194	14188	26459	20144	13812	14918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27581	32795	83464	65316	288762	178407	84699	63439	15337	1	184971	141660	66726	48605	12624	11433	65016	38743	10148	8447	102393	51939	18524	1	21468	19475	158200	131215	13299	9651	15942	16259	46182	18470	18734	14963	783662	92464	33142	26228	225135	109174	516409	848146	104444	59908
456.1083@0.9560004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8870	10873	1	1	14008	14231	1	1	9134	9092	1	1	1	1	9131	10996	7864	7421	1	1	10649	12396	10674	11968	1	1	1	1	9173	11241	8984	9993	1	8417	20325	17711	10168	11678	14620	13194	20873	18998	16817	16424	13054	12885	1	1	23927	23198	10140	8212	12941	12626	8987	7689	1	1	728988	738070	11856	11331	14490	14336	8310	1	15229	14540	1	1	1	1	15714	17117	13716	13315	1	1	8089	1	1	1	12460	11044	1	1	7343	6953	13097	12036	1	1	1	1	110720	7189
222.1252@8.195006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	344506	345136	398135	390955	419657	409470	340071	334801	213978	213595	265090	259326	222115	216291	260235	265231	191895	191847	319060	332065	366296	381654	351449	421012	141575	143571	128733	131238	149584	146280	319715	308231	177705	167774	108046	110398	361520	353291	194541	182354	757643	750479	169096	172627	382389	382979	184766	181079	256432	252717	122501	151274	149235	142038	165367	175686	91683	87941	291155	269444	331609	307059	478611	470652	96001	94410	79331	62507	93769	98201	295750	268492	419297	427067	246947	250897	147346	141398	121688	131307	191731	208337	262857	235805	93446	95365	407063	197092	57150	57858	134985	128420	122732	169606	208476	197408
309.1248@5.1669965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44270	42995	41977	44413	51680	53550	12707	13067	1	1	202590	211695	128464	121083	106683	105482	48377	44370	76042	79450	454098	450776	1	8774	78393	81295	452984	448286	17106	17464	71184	68355	13133	14163	54524	53139	625259	621695	8193	7282	341603	366958	684109	710201	92488	89227
Creatine nullnullnull 0.97799927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	399014	414501	388439	399250	449955	446690	570020	560997	230521	234857	583352	562758	485246	463274	592222	589194	444060	435241	612366	607999	515311	518704	477493	472348	539295	547771	604313	600015	524905	532619	390909	388952	382993	403610	289077	281305	543495	541498	329426	320426	480341	481811	248604	247511	615970	634466	621548	623412	298745	302156	192007	182946	176365	174495	151974	158535	128420	122763	402866	407217	155725	168837	299669	291082	166838	161983	243790	237082	116118	118897	343868	330000	676836	684653	242047	217712	335514	340850	494937	492479	190392	189494	413188	405647	139618	133587	340080	332331	217989	212576	297684	302945	352177	364002	399290	401400
262.1128@6.8919992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40674	40196	89425	80126	88218	87452	1	1	90196	91031	305135	324686	14466	15411	538618	530050	11530	11310	281480	274935	1	1	275928	279014	263107	262815	23911	28857	13476	12169	14600	16941	14834	11269	397026	406614	159357	159872	191750	192026	541512	531899	99751	104352
206.02@0.93699914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2351763	2382995	2526797	2562990	2802324	2768115	2859402	2885651	2254974	2260442	2548348	2566347	2442308	2474625	2156613	2116375	2651689	2685034	2180820	2142976	2363313	2361765	2823403	2831948	2578427	2613573	2875565	2883432	2324219	2273620	2855809	2845600	2394633	2396949	2760083	2795694	2871157	2870333	2566841	2540913	1779694	1798182	2239797	2215570	3204223	3192435	2255034	2242048	2161248	2287138	1708696	1742941	1814575	1921794	1785280	1789227	2126780	2104433	2089359	2100100	2140628	2216854	1848640	1867414	2003146	1962083	2419389	2421671	1891516	1880357	2444488	2463447	2572565	2586163	2395798	2408047	2094033	2068766	3030197	3047183	1989700	2011236	2618327	2636034	2061565	2035456	2542438	2541980	1540596	1544935	2367696	2394789	2006202	1994084	2037107	1997782
284.2713@14.023005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143309	124897	124434	160060	1	1	1	1	122944	137818	129297	1	163176	145670	1	1	1	1	133524	1	114293	129850	148536	145171	1	1	1	1	1	156670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	220692	189967	263320	248030	212990	213193	226554	195091	235896	194910	205247	207373	208086	1	209510	1	228422	216635	245393	196987	222041	1	438862	232675	221952	217203	239367	220225	1	1	252365	1
385.2573@4.8827567	142104	149914	153117	143828	140408	141852	132066	136166	129639	135469	135190	128389	133312	135068	128163	128120	126239	122938	120951	123388	120553	134838	148223	133984	153775	151535	154064	152734	146350	152818	152076	150268	152104	146288	295383	304248	172404	169958	167428	159071	148606	148271	156521	154245	150785	160511	158897	160943	152075	159723	173672	170635	180233	175340	168655	165864	164324	162445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	158595	152207	158073	167381	166713	155726	164512	156362	163438	167339	156616	155041	163466	153366	160983	162181	159619	160065	155492	162309	157559	156705	158659	157609	157928	151499	164556	158330	162788	159206	161823	160767	160681	163741	160008	150637	154931	154786	147091	158041	145569	153478	164396	152006	158961	144732	154007	156561	148642	152604	626790	637193	604102	610708	614002	620963	617271	611860	626935	652171	600247	614943	639715	627794	387092	367310	372934	368438	366467	358397	380364	370413	385486	394968	371373	378364	383752	377441	393646	408045	391363	372772	396209	395072	381244	382415	373947	377509	379700	389469	394757	391635	392881	394945	400119	400004
C11 H13 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24321	23642	18068	18933	20236	19910	19634	18367	51972	45284	170254	170765	26195	29215	341249	341854	22172	23532	307843	299682	28322	26047	148868	148395	231273	229197	82159	92210	27771	30161	42753	45345	35831	34164	436914	446774	88278	112932	202338	199391	527040	512782	139997	137546
Mascaroside	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11273	33165	36228	210338	207262	1	1	210265	230510	1	1	569568	551303	12266	11275	61520	71573	258459	256325	66474	64725	1	1	22270	23332	1	1	704743	732384	61806	60190	192032	203724	718247	677152	154977	149740
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13665	16533	16032	16945	20088	20072	18753	19298	21920	12655	40705	37989	109119	111782	40482	39965	395038	386784	29465	28302	68539	75295	27640	27526	188653	175603	86952	88455	53031	49868	29074	29118	27977	25186	21492	23713	123839	125618	98750	94594	74908	75187	167487	160938	36445	36251
556.3913@7.0	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	197329	199964	316780	310151	244946	234260	323207	313449	399200	418057	282855	266987	451609	445367	136741	133589	246327	237402	91711	90157	576622	589679	468338	460177	225664	227910	499359	496375	587786	597288	141960	149249	466560	459414	176830	182789	533888	466996	209193	209542	656671	664409	578004	616872	474160	471759
131.0245@0.9323768	277163	279620	263824	273716	287244	291672	266248	254825	424022	414715	341452	336635	317545	319084	173573	173500	406098	410783	315409	321067	256976	261408	169726	171800	322733	331043	233174	229139	186256	172069	385402	379053	483815	499008	444127	433300	446736	439107	352918	348563	423975	423287	285984	282161	174624	173027	259427	267834	295711	291093	166872	175524	316993	316310	447612	442457	493483	494719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	262851	263864	320052	328770	350015	345476	373105	364010	272831	272111	293246	290458	269899	275911	202667	191238	321195	331034	199691	205960	233937	238772	360320	367066	286630	279781	377812	382445	232370	232574	421737	419998	275909	274612	408552	400802	394038	393696	306698	305619	144065	151457	257300	256632	401002	410944	225912	235977	240210	241412	155929	150359	170209	176760	158022	163665	261576	247137	197164	195673	220948	222192	176128	177982	188454	180205	232449	221928	171549	171019	235376	235792	253842	253633	234169	237608	193178	177857	345487	343449	169875	174972	264858	264925	184392	180568	253699	241880	143044	139173	220769	218765	163186	165042	165829	159248
266.152@8.072005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	182202	184184	114474	125694	215721	220212	96270	87417	353559	345677	224188	231164	125063	121052	894809	906972	200965	197966	207735	206590	345086	347185	503699	494891	123605	129023	355775	359682	546636	549894	891405	902396	259608	261960	2496971	2486147	1420808	1396500	854849	855199	686408	691015	1723677	1733865	393178	381560	117880	116522	2589765	2574153	2130440	2104189	1020791	1023689	999316	992223	4001738	3960973	1858269	1885576	796794	803789	2251615	2238564	756423	739394	681551	679554	1738864	1739674	1440034	1447733	1592218	1585421	608773	596532	1151490	1129438	934639	932426	1190980	1208599	930244	920576	701532	694063	1145301	1134143	986561	993604	708465	722370	1460408	1445081	846541	849078
289.8999@0.8799996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	288027	288655	313919	312427	301233	299477	291586	302108	395327	390764	316957	313845	281488	277309	221019	219076	308753	297340	208206	219589	228179	231948	296771	284604	238443	240782	308968	312924	283220	271541	329811	324447	305428	300253	370781	356498	311042	307235	317776	329427	194328	196545	340164	341405	238041	237088	233179	222726	261446	268719	202705	208174	363835	361310	367106	369916	508115	490633	296162	284711	462507	465971	286299	285204	362477	364548	358649	343296	392956	382524	261993	259771	201775	211254	416896	407071	241410	231164	280601	277967	329633	328598	277150	271057	355441	348253	282473	285913	238019	240005	292502	299472	210061	211988	247357	251411
Canthin-6-one	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21486	18493	10946	9526	1	8972	24340	23338	45985	48091	138026	127856	33456	36752	422713	407635	31127	32992	88919	87925	41503	40325	176868	171249	93719	96179	86798	83761	27055	34620	33945	34681	23736	26513	151352	152217	74636	66929	90767	118981	210723	220360	63488	60731
387.2443@10.777005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24990	26556	64901	61742	40569	35095	13875	12317	1	1	90447	71377	55848	51517	22753	18676	66482	50375	10034	8357	120314	96721	1	1	20456	18830	145239	139464	1	1	24073	20851	13092	10233	22834	22647	405301	116115	1	1	177618	126427	368309	528169	69077	61239
419.2343@8.666004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29384	26883	106522	99921	37324	38768	1	1	50523	51641	115620	117252	24811	19063	61514	62858	39920	27053	424392	431375	34696	1	39547	35362	216079	227245	23084	27491	20233	24578	22418	15937	29486	24212	645364	594768	48531	41031	176727	171785	583252	594417	162271	163601
C17 H29 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25727	26071	37078	32597	217299	181919	86393	81335	10927	1	79062	70559	129809	117014	25236	22030	53340	55095	9617	8595	195775	177626	10892	14186	29065	30559	329337	318998	16639	16176	18542	18347	43331	37968	20792	21494	554284	228601	31759	32174	278123	227658	390857	540572	123592	107776
161.0685@0.9799998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9616	7997	7701	7986	1	1	1	1	8762	8499	1	1	1	1	1	7018	8447	6823	9277	7577	7913	8438	1	1	7630	8066	1	1	8476	7914	1	1	1	1	1	1	9271	8302	1	1	11610	11048	8765	1	1	1	116546	108372	119077	122641	159539	164353	72739	69867	349854	353459	131011	136503	173954	182318	124245	124835	115541	120234	54757	60702	299014	294167	533847	531555	103285	104026	346124	331958	586810	587422	45429	50022	532038	549546	74002	79574	211279	218023	139860	149072	130027	118695	425994	437201	232237	228319
637.3337@7.541996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59765	60769	1	35318	55328	56268	29256	31015	1	1	91759	97281	127933	122702	1	1	144601	147354	48905	46005	285321	294485	1	1	54005	52717	327035	317797	1	1	20904	22466	1	1	1	26629	286544	281042	1	35001	67797	70896	539140	542352	57181	52172
313.1021@3.095001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	311454	296183	200536	257239	234439	180865	332114	326663	112106	117350	296225	309814	203912	146793	199419	197806	567449	569195	348759	347605	205398	167777	343970	330511	309900	312179	134359	179574	296197	285418	158461	205933	256429	260278	147002	99757	100000	94554	197915	143182	112653	112179	286280	283811	447234	443576	213590	235855	261663	251683	103509	31304	105385	69070	96040	99415	95852	53231	77988	114011	97563	89292	157955	161195	128146	106125	162737	152082	65309	104667	171634	188632	196069	192450	139561	129572	208020	194051	188278	188730	57112	59946	165025	169428	59479	53910	179587	184621	115181	113620	163415	159690	215960	199431	163381	170665
546.208@6.6300006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26717	31505	120673	122773	1	8260	224622	227318	1	1	391423	337661	1	1	61927	77199	175724	178470	43100	40840	1	1	21326	23194	11416	13208	516988	560277	24212	26602	169829	175217	549330	549131	148714	127036
Azaserine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51846	49207	48484	51592	79928	84859	32222	34383	26104	27729	107150	109631	118176	120548	65142	62038	128561	118299	38874	44765	294962	293109	45518	47745	82859	84686	397504	395698	58535	59447	45752	49853	50990	56084	54928	57234	291660	302178	26235	31349	251111	257513	418028	406133	66592	66981
339.2046@8.693989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	478390	468138	477579	461032	533583	530218	505322	483692	447731	487109	513997	518535	493031	487588	509945	495518	500443	473239	534393	537226	511975	533982	503004	512136	514964	522027	445951	468089	491917	486473	510849	493066	488063	481410	448498	446227	435244	451633	471246	480625	532312	532668	433051	411534	539353	541105	478364	479352	450366	444475	435074	437395	429293	430890	501015	497934	499014	500402	481809	484915	490456	482369	504180	494368	396650	377884	376179	357947	402755	395237	452706	447154	523153	522082	423003	398452	448515	451472	448321	453755	403661	407375	464525	467828	398537	391538	487769	454404	443813	457127	444160	441545	447525	475443	468919	461583
375.2285@4.881996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	116751	115882	116966	118814	111103	120745	123699	122329	119695	118195	118821	118609	120256	117557	120931	116134	120404	120478	120253	114505	115157	116852	120243	123126	125309	119766	120635	122045	116299	114096	115965	115012	118971	121484	123787	122825	124158	120471	121148	116059	122587	126324	125074	124480	122278	119323	126222	128432	124244	126721	505956	496596	492427	491460	496672	505630	513505	506243	498361	509590	482552	491645	487496	498761	316595	301271	277286	281979	306625	293563	290519	292768	310078	294989	281732	297130	294952	286680	303299	305941	294875	288302	298807	296397	297748	301454	275148	288053	290528	286937	294710	304647	287985	292396	294383	297179
248.0966@5.970997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9825	20343	19659	17425	13908	16312	18298	39278	37920	386711	378137	13723	15309	321611	317896	12107	1	406488	403217	38877	29634	103686	101073	236747	231880	115551	110264	1	1	41732	38013	12576	11361	520920	532932	144758	150089	176563	181643	532619	507454	148445	153855
120.0364@1.0179998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	92071	149893	166343	130159	181137	146230	153775	43294	87605	171715	77732	30229	237120	123665	86730	184526	409332	202378	2487179	95391	207686	250781	267626	575438	48662	89734	206711	164090	340358	168654	62576	222319	228106	200545	152558	165713	185499	199584	218125	270236	361889	1	212759	263917	264516	254443	311635	46828	209594	302087	426854	1307039	317476	329035	296379	300505	202582	388453	94583	212772	258044	334255	263508	1	303886	402257	340788	284378	510119	248410	1	1	110105	169050	1	243130	168722	120707	191524	180768	364891	752516	1	179413	1	343512	98212	99278	398086	336557	159155	174296	241131	189655	335888	166188
393.2188@8.132	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24233	21540	48726	47763	18573	18444	1	1	43061	39778	58035	58961	16144	17762	42888	39704	9747	9511	309701	309406	1	9830	26407	23657	174068	179939	19972	21215	11966	11231	14470	13530	16133	16211	451661	452100	31757	27410	135141	140121	414063	413223	130625	134063
C3 H7 N O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6956	1	1	1	1	7391	1	1	1	1	6917	13013	13406	12932	13513	7098	7547	9661	8983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12220	10874	1	1	81053	81373	40574	38608	73990	75386	21959	20168	88675	99065	124343	128322	120995	117842	122024	121420	84157	80788	92058	95331	397382	379335	142541	145169	105268	102274	399558	395889	138534	143189	47587	44323	140270	136684	80230	85911	419435	402794	48627	46648	358705	353310	545720	547334	236413	228794
278.2245@12.576997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8234	8084	1	1	1	1	1	1	1	1	32601	40058	44748	24329	1	1	1	1	16006	7455	385492	259268	16691	10070	11649	8385	62314	31659	15001	14736	11438	1	1	1	16845	16395	9157	7624	8726	1	17867	15702	24210	1	13667	13995	199151	1	1	1	27969	10800	76295	204853	20064	8855
Glutaric acid	1	1	1	1	1	1	12353	10733	10761	9850	9163	1	1	1	1	1	14209	12921	1	1	1	1	19469	18046	1	1	1	1	14313	15496	1	8896	1	1	15509	13371	11527	10104	24892	25725	11180	11968	1	1	8661	9729	9958	8366	1	1	1	10099	17642	19733	1	1	14181	14212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8972	1	1	1	1	1	1	1	1	1	9303	9613	1	1	1	1	1	1	9052	1	13270	10705	10865	11192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75650	79008	167315	156628	81727	85913	36818	35908	122057	117726	117249	112951	131897	118320	68690	68810	117825	118989	40206	39715	420131	421473	152044	154195	97553	97587	414471	405551	347296	331871	77238	75700	350210	339510	112138	106171	348367	347056	54475	55477	467478	457820	519993	511619	203330	205737
C8 H12 N5 O4	1	1	8461	1	1	1	10425	1	11379	9873	1	1	1	1	11064	9368	1	1	1	1	1	1	1	1	1	1	1	1	12507	12109	8201	7214	1	1	7678	8513	32716	29195	42433	41536	8709	8683	23040	21200	1	1	1	1	1	1	1	1	63771	62382	25173	21254	21778	17668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41885	26120	23705	26455	27253	22846	12928	36414	21206	22770	29484	13433	23765	23890	1	17404	28098	31837	23360	27718	51556	29219	37933	57546	18151	24503	31774	16628	25621	39825	28164	19387	23587	20126	16506	45324	17833	15511	29124	22758	34411	29974	35539	19120	20602	27056	21286	51595	20074	71478	34789	62856	58289	69311	92511	131889	36091	45499	309085	288880	97671	112330	107063	97776	84751	40908	73536	63298	55022	32219	238895	222328	390034	401314	79021	83076	165882	164271	541226	520486	41054	44703	403927	405434	37137	34592	189972	244101	84526	37126	211879	221866	247992	245613	374833	392555
217.0465@0.8970005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	312936	309596	327294	318849	297621	303997	260964	262711	238121	237654	189197	190023	464827	490702	187103	186364	255285	247084	201194	209725	307593	307948	381950	372542	271867	279292	256172	253526	204608	208043	342755	330506	203422	210636	439743	466946	277783	280531	355163	355118	284262	286030	317716	319581	394640	395667	176210	174738	389240	405319	528632	511125	574141	580639	748598	734282	406995	392300	973660	992050	729286	737618	986714	993506	837857	834286	905803	876597	630474	634855	1086158	1073547	1046354	1020083	743547	737891	1225269	1219950	1030513	1022009	795643	789453	970988	976407	825194	822306	973204	916741	654111	647116	988815	954147	1275324	1255673	1130999	1094190
439.203@8.240998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10561	11399	1	1	1	1	1	1	33160	29422	43424	39803	11879	12053	46397	41742	7796	9906	317400	317208	1	1	24508	20551	197201	191087	1	1	11840	9848	1	1	10868	11551	502312	510423	1	1	159882	164210	503211	501058	95522	96821
185.055@0.9650001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12456	11551	1	1	1	1	18688	17481	25172	25186	1	7712	25220	23725	1	1	138008	133568	7145	1	11031	11907	235043	236854	8709	10948	1	1	7816	6652	1	6752	136791	136734	1	1	101845	98567	246484	241411	11572	10120
277.0595@3.6519997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	151693	147699	85715	84079	24358	21445	8593	9930	1	1	424339	415334	139454	147543	169329	167305	94869	95925	361268	355573	141115	134548	1	1	397000	389517	176901	176429	1	1	169671	170425	1	1	122147	125210	173032	182506	33564	33190	198231	194196	186980	184685	15324	15232
579.3537@12.75	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26164	20560	19909	47994	52603	23861	23201	1	1	35308	38172	36322	32694	45289	50882	1	1	71011	74192	1	1	1	1	36519	42332	77007	76123	48672	38231	1	1	24821	33436	1	1	21522	32220	14542	13721	212031	193776	1	1	103420	114846	76834	72176	1	1	80399	94534	97471	76295	159083	100286	71058	46981	60905	17847	324793	273919	67076	26294	27107	23814	70309	45189	31319	27670	61994	15393	58039	21089	44561	34961	41198	29722	26093	1	39957	43982	57918	1	28899	28751	314926	29922	25934	16969	67617	32131	133601	238365	55599	25523
96.0013@0.9049993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	81429	83833	161251	157542	80140	71709	200422	196441	88535	96852	144154	139197	269578	273527	100503	122593	84134	100038	146492	132029	123893	122137	114369	109022	207948	203564	248794	254422	252505	226993	213421	222022	175564	174859	369049	380018	231598	233683	326580	314576	116721	121216	252556	243024	98641	103986	130721	131310	281057	302323	54251	62106	52537	53762	71822	68677	28426	33285	273850	278888	91101	97355	73778	78896	51313	41049	115435	97846	46902	31341	139560	134178	169244	166904	74877	70568	118538	116618	166295	164060	119420	113293	177467	177147	37232	41067	231663	226562	60510	57856	169982	172304	163460	164343	211567	209034
359.1404@6.3890033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7861	1	9659	11383	7461	8318	1	1	1	1	53583	54147	91556	88148	24539	23120	14760	13493	28251	28434	228327	231211	1	1	24403	23947	218815	219059	1	7350	12743	14243	1	1	7622	9419	333072	333111	1	1	198246	205712	371575	369503	42839	41945
C9 H12 N2 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14041	14535	1	1	11117	11496	1	1	21190	20926	38669	38980	32736	33542	38125	39555	18539	17122	21215	24479	354752	348327	51929	51817	28251	26617	367105	367338	43627	43906	1	1	53321	48606	18717	18179	388953	399225	1	1	324697	326848	402050	404330	139789	133794
277.1354@7.628001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20303	17601	17500	19254	1	1	1	14743	57618	62039	1	1	33893	34982	1	1	192053	191634	1	1	14034	16011	79826	73322	1	1	1	1	1	1	1	1	208513	202371	26643	22619	48973	43107	351030	360008	58176	60173
263.0458@0.93075246	273287	271886	261467	265386	285257	276563	253384	254574	442875	433809	346523	356155	331510	333123	163611	151409	448465	426811	331459	326779	248785	261813	153568	158789	321061	319376	221325	226902	176843	172700	410638	407177	522081	538685	473715	470165	489754	480652	327651	346249	468347	455598	259699	259261	136322	133269	213640	205926	282268	277908	118110	138545	272522	270830	481741	477024	539016	518510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	241265	238471	331320	333889	342196	343143	390364	381071	265923	257347	279300	274333	263613	258692	173286	169105	318352	319707	175116	180199	214771	204431	363484	370344	265297	265275	395479	394040	204401	210980	446768	441012	256390	259523	421627	418677	399459	402102	283637	284174	109287	102869	224952	220857	406429	397514	199493	204182	207113	202231	128313	121103	142080	153633	126406	121395	247806	251467	166477	168168	197898	193680	145169	144100	149597	149972	199682	194923	146377	144694	196327	208015	226747	218957	211025	208898	144261	142593	320074	322858	136424	141728	239584	238819	157182	158748	216985	210047	112860	106515	183928	184166	124880	128830	132292	127877
202.0451@1.2850001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29722	33037	38476	1	1	1	1	1	1	15643	1	18234	1	1	1	1	1	1	1	1	13750	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42142	1	1	14598	49271	55122	25338	1	1	1	732088	1	686908	672556	13291	9549	332091	325070	23853	1133860	929899	924784	538084	554472	578231	585681	1	1	239837	249070	820827	815789	1396873	1383358	1	708301	719840	718766	1065536	1079960	1	1	1075699	1030549	670141	669479	1009039	984282	480339	468040	937325	965401	745955	775308	828786	841085
297.8977@0.85987014	167374	169745	174811	175439	195531	196309	169220	153233	185591	190104	193502	191832	189073	190312	166219	170292	176806	186298	175649	181835	196610	188095	142450	145326	185787	189496	182376	183762	151032	155364	260540	256763	272424	263364	269865	264908	266322	271305	257141	261828	264399	261374	248817	258408	232301	233212	247686	252400	249297	245974	167936	161838	252770	244427	274831	279454	268704	281007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	384355	383873	406497	410387	328904	327667	414405	423068	370301	363247	405829	409983	416576	417317	407926	412318	409393	411595	419862	416087	412428	415451	426225	432766	417011	423308	434541	437243	410540	408778	430095	433330	405404	404119	415505	410493	452417	453614	417840	413795	313525	314034	394542	405351	349134	351287	420162	431511	406852	422132	180394	182909	199746	204115	187668	186854	273754	265119	220892	222613	209298	222144	315969	323294	215359	213923	222615	220914	205793	205944	247612	245945	246655	235567	223253	220301	237206	230655	255063	249099	226289	229270	228242	230773	220950	223300	260221	251378	337600	337527	247943	248110	248221	244928	247968	238947
?-D-Glucose nullnullnull 0.9214004	20468	21504	24188	15089	1	1	1	22885	11234	19230	1	1	24948	1	1	1	38132	1	50053	1	1	10947	22685	22883	5883	1	16233	15229	30793	34335	155099	113717	234226	1	1	127033	1	105778	212749	219174	122377	1	115680	137235	152255	147206	215881	210533	55449	52565	1	1	244010	1	1	49321	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30288	50890	34535	21375	61526	60949	20590	20970	32147	29001	1	1	66514	96939	34337	1	23582	24499	8604	11332	26166	29767	30947	32485	19704	37825	1	1	31685	1	38714	28014	1	8658	85084	82929	38169	16395	35485	40052	52870	69280	49798	55273	67693	58544	1	1	77417	87035	110447	120521	128793	132957	141635	149919	69176	66474	317833	321941	157334	148713	97114	106760	108847	102220	267478	241570	92999	62804	205268	200762	320980	289659	148559	165743	204770	144443	289076	279407	107274	115241	287591	288163	127946	103590	256338	177380	109063	61182	175125	240603	262245	257240	286529	260485
C15 H10 N2 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13871	10822	11089	14037	14657	9033	21475	18097	33367	37408	177005	173423	18507	18497	285997	284861	14496	10520	138276	141425	27238	30188	107678	107331	97502	109510	85993	86899	14588	14474	26484	31112	14231	15146	201869	197268	76839	69143	101872	101897	247629	238093	69283	70278
Verrucarin A	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39382	28718	20459	14703	1	10577	30070	26518	103788	111919	1	6561	86856	85564	1	1	340009	335925	28430	21853	50511	42268	188874	177998	55724	60238	1	1	30446	25956	1	1	448691	437597	51935	50540	100061	128607	433131	442831	162126	157556
106.0246@0.9446242	326207	332076	318326	326597	355926	338759	312019	309970	374783	379732	358553	338531	345780	341330	279245	278522	367783	356738	329766	349379	337716	333084	270965	278674	339741	378827	295011	310021	272502	276721	387555	385606	376917	388357	371192	368279	380634	383522	300752	297692	365749	378361	320863	330326	292145	304731	303635	317217	330770	353382	312823	293701	309926	308991	401243	385454	370792	384616	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	345079	329681	367586	382113	380985	391210	401131	395082	331544	342792	336228	352557	351815	348975	297477	282463	370355	376016	310971	296114	327080	328396	393883	391914	351849	349013	387721	393434	316566	313235	418632	420606	357438	349045	410168	405013	402669	401799	374524	375767	284809	287759	338712	345838	431816	429547	332564	314559	331432	323641	282628	280756	305228	299530	279728	294918	344146	344449	291334	295834	322039	327078	289958	283783	300972	310729	334741	334690	313549	317174	314171	312391	339334	336653	347225	358575	279392	274801	374505	373633	288662	295994	330039	340157	301647	302730	303198	305910	253937	253041	298430	303939	259505	254639	290936	285319
217.9316@1.3849998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15709	1	1	1	72388	1	186630	1	174090	96614	161211	79092	184443	81292	160079	152325	1	1	194750	1	87858	1	1	168793	1	158596	89471	192439	175187	1	1	1	1	136224	207429	196310	105043	1	188431	1	1	133164	1	1	182671	175576	196553	208160
C15 H16 N13 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36441	40016	76470	72796	123779	116858	125932	125183	320040	74997	157047	150399	599913	590745	132665	134094	1429383	1399915	103957	97619	545029	555383	138583	120641	639345	626025	564059	567449	303814	313166	118254	112772	120299	121220	91146	91712	851062	839905	473427	482825	472615	471528	1168034	1150450	247132	249206
C16 H28 N5 O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36695	34852	31264	32618	35697	35170	25388	26605	71768	69162	107242	103036	43782	47198	375326	378351	33575	31802	253978	253682	34689	32235	199081	200467	216465	205746	97106	96087	40044	41529	46533	47912	38297	37598	350531	378179	118172	122689	174259	188645	438973	339453	120769	116632
608.513@17.419004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50606	43083	1	1	1	1	1	1	1	1	44668	48915	75711	55028	266575	124118	65771	36419	23924	1	253060	167700	43281	1	11721	1	59298	32536	19765	16955	32774	1	23328	1	18028	1	23217	19693	11413	1	19054	17509	23988	1	15391	14876	241935	1	30892	13394	62137	21268	198779	346218	32911	12041
Cimetidine sulfoxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12017	20401	19565	17161	17562	1	1	31047	29824	94929	90045	8316	9946	104651	107106	1	1	296962	292731	10390	11714	50945	46768	167817	166299	51360	52068	1	1	27426	27549	11336	10429	338394	380118	60482	66751	119907	121539	372535	354885	156246	167988
120.0412@1.0189997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	92028	188920	165409	195798	204930	195892	122302	168068	158354	1	68145	29609	261267	172133	130680	71617	203068	235772	103088	1	3279086	255552	1	590752	55821	51470	204627	162138	236258	105740	241098	233042	611276	199990	1	165815	1	1	208576	345128	332347	2762972	211589	538424	260194	1	233634	46759	411171	1	375885	367601	265907	328643	296944	355529	362510	275100	122379	108261	220829	325838	362792	321079	394477	418450	320584	372529	400120	252231	211405	105024	596960	166066	448246	378282	187388	121102	190238	240032	365301	392703	197237	227260	337570	330708	171336	202887	402940	602730	185598	178613	170242	214591	219788	191658
275.889@0.87300056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	145637	143554	165159	169446	166348	170216	177263	182145	173976	174131	167767	163979	157478	151367	131290	131350	168168	157870	137304	134736	140984	140756	165394	170929	153590	152563	181145	179406	151642	155135	194337	196072	149675	158642	197104	195473	183239	185467	160687	167203	100270	96344	163986	171567	149924	153649	141198	145711	154417	150560	87128	86737	103601	105080	90296	87858	145274	132477	90308	91538	115394	118484	108282	111104	116371	113729	107536	111283	117210	114887	94649	94886	107477	104231	118561	114742	83814	83668	132763	134058	105617	110500	100502	110462	110908	112739	92455	98609	120382	129264	104250	98682	71428	74921	86540	94684
248.0343@0.9339988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	301411	301557	325435	334303	345349	340512	357128	352339	312914	315569	318790	312812	316069	316697	262115	263795	330441	338597	261890	261729	290462	298892	353173	362683	314069	310005	356355	355583	290671	286729	369190	374701	319611	316595	376236	388330	368577	362918	339271	339997	232001	235136	317008	313072	387091	397887	282708	294114	302636	307922	229731	230350	242038	242353	224626	231330	300332	302856	239351	253415	286277	277752	221168	230181	258265	244791	275103	278206	255018	263144	267119	260178	277087	284750	294665	311681	209764	200963	341482	336554	250986	252871	292431	292703	257790	265123	265197	275557	210352	210206	266222	262158	188209	182607	224355	224036
101.0147@0.9624272	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12581	11986	16070	16109	8621	8548	1	1	1	1	15998	14141	1	1	1	1	1	1	1	1	1	1	1	1	15960	17721	1	1	11942	9148	1	1	1	1	1	1	9409	8318	12315	10675	128771	124343	133670	137918	150849	139376	145905	148457	132274	126607	130925	133502	136364	131388	115661	110971	143848	143226	115121	117106	126298	134001	143520	153972	133990	136667	150140	150672	120236	122675	150915	152417	129539	125169	154959	146221	147684	142316	136138	136107	92248	97074	121212	125237	150206	156124	118904	114513	125820	122583	90804	90866	98535	101760	89686	95695	117789	114939	99358	108327	113086	114562	99904	90585	103706	105131	120187	120135	106741	99212	107536	103292	121211	126539	129139	120004	90072	90051	142976	144250	105161	112559	126986	127844	114992	109504	114980	116934	92937	91977	108090	115311	83029	82124	96116	96525
594.4974@16.760006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52232	44526	1	1	1	1	1	1	1	1	63360	65280	79845	58233	233991	107249	59989	36009	28307	1	317621	215166	34126	12865	13293	1	74574	39771	20936	15649	35625	1	27406	1	17423	16279	27777	22640	13040	1	23033	19379	31286	1	21292	18522	269851	11964	22745	1	71342	24123	219190	370732	33998	14807
C38 H27 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13220	12540	55329	50394	57458	56511	27358	25482	28597	37520	312224	297452	14141	13703	253549	266751	1	1	661647	655302	38166	40871	89175	102598	393797	389895	145887	153270	10420	13544	63459	55134	12763	11903	820715	885778	172786	165889	290246	289033	946139	909771	232171	240135
135.0548@1.5433365	15473	10353	12220	17192	24971	1	18605	1	18118	22624	18068	11431	14878	20059	13885	1	1	14354	18963	17794	1	1	1	9310	17118	15551	9252	8877	13772	16331	1	1	1	1	1	1	1	1	1	1	1	13061	1	1	1	1	1	1	1	1	1	1	12763	1	1	1	1	1	14145	32067	9949	25995	18509	1	9135	11877	8424	18511	17329	9586	76432	92349	1	1	24322	25646	1	1	1	1	1	47248	91404	96161	1	1	128182	131867	53288	71021	1	1	80633	1	1	1	1	16100	1	1	33979	28574	1	1	1	1	1	1	1	1	1	1	29949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11426	10988	1	1	1	1	1	1	1	1	97778	90680	141867	139820	126951	121173	97157	101313	194856	187170	147132	145672	213175	211552	136430	132488	165769	163678	89937	87559	293250	294825	298800	282527	151847	151156	292965	290179	306871	310810	120104	121571	216624	211424	97393	102618	297625	282985	132004	129717	270817	269871	371871	376796	224167	221678
158.0194@1.5159997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50438	1	57477	59440	1	56578	34208	27196	1	40932	37210	36438	1	36737	1	73039	71436	1	1	1	1	1	42758	54141	1	1	1	50217	1	1	1	32143	23952	1	1	1	1	44809	58409	99503	1	1	85455	81235	65313	1	28676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	544205	1	1	810893	1	1	1	500189	662774	629252	1	1	1	1	1	1	618100	527544	1	1	518421	523509	536215	576661	1	435782
C14 H30 N9 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21421	20676	22032	19786	1	1	10862	13393	116775	112826	1	1	95117	90299	1	1	244329	228219	14510	13480	35161	35792	134866	136793	51091	51861	1	1	22371	23370	1	1	299662	307703	65842	66226	102622	101847	333772	315640	85669	88024
C20 H36 N5 O7 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6089	1	1	1	1	1	1	11188	17609	24957	17770	19108	33752	9481	1	23342	23078	201694	195118	7566	11149	146849	138802	1	1	381176	370241	10963	18325	21573	62719	193237	196761	62233	62540	1	1	31237	31764	8458	11005	467726	507338	78544	52156	146711	143008	492401	472926	157925	159005
4-Oxoproline	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	92172	86707	115649	115795	65206	65630	93843	92905	49518	50692	122111	121260	99053	100065	157329	150882	110466	105287	171201	175346	127383	130455	105069	105566	140223	147617	138784	143672	150797	148965	67847	71121	124086	135463	46208	52692	122151	116780	70969	72722	127033	129859	62727	60498	161519	158673	170184	165403	67947	75371	101348	48321	45403	99697	55718	78240	23702	65996	131397	135481	149275	47924	72341	88183	36661	59424	112394	166992	78375	44366	351632	337690	114374	192734	45954	51112	443147	434360	194286	106834	105234	43030	93352	88061	55287	54859	326867	331641	41378	74851	280982	287066	471173	492565	189021	91585
221.0725@4.815999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21653	22298	26981	20689	23368	25824	1	1	51822	50047	109266	115529	16815	16616	239632	253431	1	1	91889	99773	247643	252061	150558	147024	101205	102894	19219	22341	18021	15444	10779	251467	1	13462	149151	146064	65624	63648	78751	73885	194575	177076	39173	34666
207.1102@1.0080009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	361345	329960	415751	417924	391377	365897	394132	383952	454502	458396	391619	451066	253213	335608	302277	293065	386817	381264	315669	317761	265148	285793	409958	410159	330649	331629	462740	462355	293703	313232	482569	495753	350741	382247	475789	437212	446819	436291	325924	318052	224163	201762	361473	350985	331040	341314	278072	312611	293510	336302	132775	151643	129460	152521	117905	107571	157342	175372	105462	94891	316014	247072	131131	112927	145797	167022	164093	128700	176515	172621	131762	109149	124877	109476	146047	189021	153505	99050	133658	129425	173443	131112	119010	102530	161197	147990	386070	149078	204428	158524	155702	134229	202564	284040	130370	90699
257.0663@1.0019994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19765	18620	14421	16125	20548	19986	15672	16332	9608	7397	19215	16209	29516	24727	27329	25936	14402	13956	42979	47119	32381	31174	19340	21936	29297	30884	15863	14370	29898	29789	13532	10858	18810	18932	9108	1	22813	21458	13586	14057	53548	52179	15089	15708	17537	18038	19137	21629	15628	12329	96579	95693	104828	100735	51802	57155	30577	26303	150174	159956	114810	119161	106349	104040	86354	87596	121509	115560	49231	48177	233088	226573	257372	260290	124519	125200	299737	297932	249512	253128	85970	85384	265679	270345	96704	96379	196904	198183	59340	58043	207184	205450	378752	367231	262762	252587
655.5387@14.797996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12466	10158	1	1	1	1	1	1	11655	12909	1	1	1	1	1	1	1	1	1	1	1	1	57621	44865	1	1	11722	9285	1	1	1	1	50225	56509	57579	38853	36660	15673	10285	1	39553	9963	283566	214474	15149	1	11352	1	50507	33103	19258	16001	32464	1	30053	12556	17106	13209	27695	21544	21530	10389	19902	17961	42506	1	24700	23412	275356	16829	1	1	58568	20031	179986	353294	42464	17114
639.3749@12.086993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87993	52211	66983	73511	70436	66014	130194	59943	57783	48336	171244	170312	40421	188568	276725	98851	106187	119050	311659	120270	102725	42818	45895	42403	164784	186105	250442	347286	228048	181706	68905	59996	195002	79505	50788	43462	41575	68179	111368	113978	80275	170654	60284	55116	101344	263033	245093	115842	45455	44288	105127	129843	123490	84444	247585	154827	111886	83407	110158	38695	417331	240931	93736	49113	33300	1	68526	42030	31401	19726	80353	1	129450	48822	63538	49159	56090	45619	41695	1	62238	63997	114704	1	18091	38157	512626	35400	44887	29516	106174	41255	192367	335257	86523	31362
C16 H9 N	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13580	10891	17286	16252	20684	23111	16203	17135	23894	24074	82075	81539	16358	14324	170666	164661	10562	13749	109663	102658	28403	25588	79015	79066	93737	94382	68989	69331	14410	15341	28206	27701	13426	12602	165784	162318	72412	66714	72830	76442	217932	216886	56739	57873
866.5111@13.476997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56381	55935	68333	50240	1	1	1	1	1	1	211587	119209	1	1	14984	8485	95505	47959	24807	23575	11853	1	1	1	19050	12344	12501	13099	13650	1	16530	14814	18150	1	25066	21439	122144	1	1	1	53742	19166	199024	338807	18247	1
401.9164@0.8379999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	104569	106466	100106	99167	143357	157348	113118	116383	81786	83301	118913	115159	116456	113878	128290	127372	114565	112051	128051	124070	117565	117213	111832	115186	119947	121169	133576	132552	110662	111809	93429	92864	102390	107504	81438	82020	120014	120288	93827	95416	173455	178771	79095	75910	197087	193518	127770	115553	82191	83934	170642	159983	141269	144951	161251	167536	92436	88244	235426	230914	157367	153861	141579	146796	163949	160425	193837	197751	124891	124635	263296	257161	305955	307691	178216	172915	274211	269661	272373	275079	154011	148156	264789	276979	148355	160552	256614	254308	107793	100644	234386	243901	307151	307510	244064	259129
271.1178@6.386999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26863	26238	27045	27968	1	1	22916	24503	106355	110315	1	1	235144	239928	1	1	88717	89495	1	1	103091	100794	87923	85054	1	1	1	1	1	1	1	1	134721	135181	66289	60959	59813	58813	192065	182734	33683	27421
359.1382@6.238999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7862	8991	11226	14196	25694	27199	1	1	1	1	40336	39628	39637	36096	21860	23149	10191	11607	16958	14766	197107	195320	1	1	14158	13149	205399	197570	7625	1	13815	11776	6902	1	11969	10860	265583	278704	1	1	134098	139863	288482	282594	56968	60457
730.3213@7.6489997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	109495	111593	135720	139839	69958	72604	48814	46492	1	1	201435	196023	110688	118780	215165	214511	189124	184809	168395	161590	171242	172561	1	1	171313	167735	169672	162940	1	1	222041	235885	1	1	306948	309358	161420	166344	21805	26657	129858	133010	306348	307014	37803	36532
C10 H15 N6 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30780	36528	38132	32600	1	1	27734	25617	162016	163168	9828	11123	161139	160961	8759	8909	264401	262099	15342	17590	73687	77855	177839	174937	73157	76164	1	1	37211	34538	12546	14024	272227	311026	105982	98557	144759	144415	334801	326014	106261	109486
555.4864@16.756002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34760	29819	1	1	1	1	1	1	1	1	46185	50601	63459	42821	189105	85813	46646	25062	21362	1	257377	184731	29594	1	1	1	54543	31148	15355	12188	24970	1	17976	1	13204	1	20515	15390	10815	1	15918	15904	25220	1	17972	13212	216076	1	18190	1	55480	17140	170066	318244	25742	1
813.558@16.249002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72804	82233	79539	63435	123527	62054	30417	17195	89039	27796	286790	201202	21357	1	15876	12624	88526	51913	32024	27069	43294	13070	90014	43861	27505	20395	31886	28555	43501	25128	30834	32948	95022	23194	32085	25016	309648	22631	16532	1	92949	34934	195161	316354	69585	39181
425.8607@0.8799996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	166079	170959	207231	215463	221807	211048	214138	201723	219982	235374	208422	203087	190256	184717	143450	137045	206790	193597	141968	142619	132691	142987	198196	201150	164573	162195	218706	218366	176315	181272	215841	221833	196332	187801	231579	223719	216506	206425	202449	195158	119328	117148	189787	185182	176908	189490	151776	133553	144338	148742	107855	98466	165081	169438	155378	153175	229858	215338	134989	136202	213814	221144	121318	137110	174489	170072	183423	179028	184081	179296	138589	136175	131696	136682	206682	211966	121777	117535	192224	188346	162907	161322	158263	161086	157255	165679	143879	141136	116664	112973	156779	166960	104162	107024	125905	126507
413.1858@7.7810006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16095	15799	1	1	1	1	21316	21780	37873	38938	1	1	34507	33114	1	1	195901	194076	1	1	22758	21502	139461	143816	1	1	1	1	1	1	12499	12756	256539	263926	1	1	100307	104916	263556	263093	69252	67209
Iridodial glucoside tetraacetate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48815	54252	92106	90688	87308	93443	36112	1	159830	148668	449876	451313	31548	35682	550704	541568	16975	16789	1195308	1185712	62263	47575	266396	257490	687035	677859	177818	169041	25832	21600	91582	96779	33935	33036	1622567	1617788	244675	256519	453197	457464	1649125	1615304	589771	601543
294.1838@9.395997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1059426	1057482	1083286	1072808	1054162	1089965	1105302	1094840	1049873	1044637	1089364	1081884	1099791	1039384	1096354	1075040	1042526	1063453	1108499	1107486	1048400	1032538	1084326	1073202	1049272	1054896	1080821	1057961	1100906	1068316	1049305	1074022	1064892	1038212	1040120	1049850	1038744	1050267	1072744	1074508	1113968	1141406	1044093	1027608	1130436	1126204	1121752	1096920	1055507	1041390	1013272	1032942	978611	982702	1063210	1090045	1077915	1068720	1029847	1029199	1097042	1058961	1054125	1031175	935637	899472	879056	871162	905172	902717	960097	927310	977609	1006437	905494	887952	888345	902017	898516	880587	889377	843228	957369	952732	859856	896565	976497	924317	952323	934036	910667	866466	923090	940327	935333	936419
333.9266@0.8379999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83427	84118	78143	79002	118740	122542	93031	93625	59417	60718	92918	95818	91604	90975	99294	101838	89063	86385	103880	101368	96512	97992	91255	92028	101640	95843	108650	109794	86781	89042	73565	72018	85729	86226	69632	61795	96275	96488	71739	78873	154676	148516	58299	62476	173218	169804	107702	100069	67640	68092	140171	136498	120416	119133	140354	137119	71559	66854	204636	204359	139699	133628	113010	115271	133577	129138	159231	160898	98150	99677	227877	226571	287842	285179	143144	146115	242893	247070	254167	259667	120344	118441	235270	246191	122792	125584	219220	220226	74544	74381	208298	215994	281701	278294	216522	219322
692.3446@8.438998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43894	43476	72125	73659	59581	52952	30497	31229	1	1	73896	74654	65705	64546	110574	110862	105695	100038	49912	48787	116576	117559	1	1	85452	84711	130844	128471	1	1	86881	88622	1	1	144001	142257	135243	120630	1	10616	117411	113076	277444	296856	51799	51838
C10 H14 N3 O10	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78264	1	181862	1	46694	41966	112271	108232	35884	39304	198759	191190	315176	321716	84574	84894	199855	186937	239769	236328	47567	47408	222914	217087	36140	34878	205364	187888	88174	88602	180177	188666	236875	237502	237155	237767
C14 H16 N12 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17452	18598	23079	29616	28722	27112	12539	13022	37148	36519	94701	102565	31315	31010	294413	298264	26182	24596	91702	94542	19894	19001	141505	138878	91618	88571	51670	51457	24630	24711	20320	20322	19043	19476	134820	144606	98859	99256	78317	76318	179278	188368	48854	44560
235.0884@5.6779976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21518	17245	17265	17239	22892	18641	28186	25455	1	1	48644	44453	116450	108357	9968	10543	225724	222102	65172	64144	123822	124443	1	1	138111	135484	121393	109681	16840	14328	9754	11299	164680	7903	69893	72622	173294	181412	53277	64493	87258	92781	212480	224943	43818	41256
108.0227@0.9840007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27071	25468	14888	514872	33716	35092	15590	20612	12402	16025	20753	22346	33987	1163024	24719	24367	19490	15918	27607	30028	30951	27711	548781	24489	22312	24666	18346	19638	25521	26555	19691	382590	24371	23252	737101	806731	19003	22132	20921	22319	41781	45454	18226	579671	26683	27911	32564	29962	30172	31744	1415602	40068	1577526	41088	44723	2154679	857475	18738	2878241	2852436	2023728	43004	53411	55277	44085	41428	80097	80538	27217	26919	2982305	2909248	2878500	2859070	42432	39231	3455946	3397029	2629709	2648976	38657	41019	2795002	2677779	37981	32531	2704314	59464	41011	39691	2681240	2718485	3578343	3786573	94270	3219812
258.8141@0.891999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59936	57810	61886	56712	81157	86463	56902	57501	53363	51339	46659	48352	53090	51090	36862	40110	47591	52022	40881	38369	47328	43698	46918	53331	41709	41967	44382	47305	41856	40441	64385	68377	49016	48987	69329	66679	46213	49892	59059	55239	44800	40021	52775	48202	76758	76472	37207	35742	52584	53986	79287	74802	81508	79959	64368	64170	68002	69614	68405	69354	74001	74861	47653	50831	73498	78170	108878	104036	66552	71114	96781	99636	78169	80315	94315	94894	81633	78086	73195	82398	77166	75368	83542	81183	64802	63395	97408	99981	36445	38375	89962	90757	76269	78417	72733	73142
C36 H23 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14475	13229	34882	33669	39481	36696	18278	17901	31112	32761	200848	206550	20120	19788	267636	284525	16688	13808	266781	263880	38716	34620	114564	117009	217411	221930	104203	105120	17254	17740	40360	41167	13993	13817	379567	384327	138898	125181	163713	174397	453892	467666	115485	112868
N-palmitoyl taurine nullnullnull 11.206993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15039	15347	1	1	1	1	1	1	8285	9807	12083	11933	14237	14166	14194	14188	26459	20144	13812	14918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27581	32795	83464	65316	288762	178407	84699	63439	15337	1	184971	141660	66726	48605	12624	11433	65016	38743	10148	8447	102393	51927	18524	1	21468	19475	158345	131215	13299	9651	15942	16259	46182	18470	18734	14963	783653	92464	33142	26228	225135	109174	516665	848146	104444	59908
C13 H20 N5 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11916	11023	28578	27866	18254	18684	21605	22520	9898	11676	54732	50159	65860	65009	44657	44964	254583	252535	27896	27857	93688	95051	14856	13597	151583	152387	95577	96100	42246	44036	34366	34791	18530	21032	30915	29278	147610	152383	74131	73507	83300	83512	191593	184073	43241	43145
735.5415@16.25	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61099	69787	73252	52337	105199	51704	23683	14101	66879	24604	268049	178653	21322	1	13977	1	83406	47246	25139	20857	37871	1	77751	36145	25039	18094	28779	23135	38984	21623	27304	25413	80162	19983	29244	23718	275445	17832	15028	1	78143	28835	163087	262200	68197	32993
330.2557@12.9140005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20141	24032	27689	17943	1	1	1	1	13221	1	164546	106543	7527	1	6370	1	28854	16907	7573	1	9357	1	1	1	6394	1	8532	1	7490	1	9080	8746	11931	1	6936	7691	171169	6237	1	1	25884	9182	77434	192480	18897	7771
157.05@0.88499945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5925	7980	22407	24569	1	1	14196	13275	1	1	29834	32524	1	1	14038	13692	6079	6649	1	1	21832	22413	1	1	1	1	6592	6866	1	1	6965	5782	1	6511	6807	7544	1	1	9841	9741	1	1	33653	32960	7796	8518	265390	264193	89595	86235	1	1	8956	11094	19224	19254	1	1	1	1	15908	19781	48660	41948	7530	8713	8642	9152	21295	20943	9465	9129	1	12120	17231	13871	5914	1	12358	14378	1	1	8511	7248	6437	7075	7380	1	16534	17985	6940	6418
645.303@9.484998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17452	45179	45387	27761	21841	1	22042	1	1	123825	104976	79269	69945	18136	1	67403	60561	1	13193	50031	41586	1	1	21351	19934	42426	39053	1	1	21928	20584	1	1	31916	35878	154577	51839	30195	34172	58494	50485	173439	263742	1	15767
284.1987@10.019999:1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24753	21131	64419	68413	67672	64949	23230	25731	1	1	63053	63351	73420	75722	42464	43738	55112	48054	46272	44904	183243	178106	1	1	47492	42020	167377	168664	1	1	44219	47815	1	1	35271	37462	187361	146671	22839	17784	160435	152231	244226	257655	62264	61157
323.1405@5.7200007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8618	1	23247	23487	1	1	1	1	35298	35198	40906	44676	18609	15182	9269	9008	12066	14266	160806	158522	1	1	10029	10226	144460	140048	1	1	9404	9998	1	1	9817	9198	211957	212370	1	1	102265	100783	233397	238446	45418	44091
283.0917@2.0009997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90097	1	211888	87057	85421	224716	221930	46979	47229	111404	114363	37877	38484	1	184986	1	247290	90123	92233	169986	174070	215876	233879	51536	49712	239694	232098	39485	39419	199873	209260	89592	1	206164	211207	256204	260097	289883	291226
968.011@0.6510006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	346109	205610	301451	300825	1	215390	1	1	122969	58897	1	311460	159578	301919	285930	298716	309693	1	306059	1	306019	281039	315166	248232	283736	260921	267082	296147	309307	280984	295944	1	237662	1	250047	1	1	283464	267605	1	1	251304	237771	1	221709	1	1	296271	240266	360049	149574	1	271900	393393	1	1	355932	349378	147989	313188	351936	1	1	406549	342959	236722	1	259912	294542	275674	292462	1	291447	285249	1	191486	306989	232315	1	337921	298400	312996	328428	361538	326497	352717	332667	324987	1	1	374442	327428	1	332299	321596
603.3963@5.640504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	203238	213470	1	1	1	1	207380	204984	1	1	199743	195968	1	1	424812	1	442856	1	1	449938	1	1	1	468595	460467	458138	458309	464755	438073	1	450598	456893	448839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5500313	1	189582	184561	194272	192526	171431	189029	193962	196097	198318	189761	184749	182290	189036	193393	184158	193707	194899	188428	193278	185168	185709	175808	182139	186760	182456	190870	183153	185328	181320	178525	194553	182765	192330	185704	190920	195379	194245	183653	190347	185254	178521	183111	196762	193679	180889	179465	188885	184903	190799	181544	931535	909624	897055	924800	897745	902670	916105	899857	898932	903442	872280	864459	919835	913755	806043	723462	660354	633026	602442	626097	615061	588370	581168	563408	576532	564497	582038	585836	579760	599510	574339	561711	572969	593470	585633	562703	539008	571758	580186	564710	567325	586053	601344	589877	574735	564555
404.2557@11.961034	179473	157618	13492	17226	40025	33411	31274	28020	30594	24985	30814	34902	180631	49108	104651	46440	542373	118423	61819	19156	118475	132828	12963	14984	12967	11795	11824	8710	21898	20078	59576	56666	69409	57829	35047	37905	68735	62818	108710	95609	84918	80193	81096	82328	38589	38946	102589	79461	82721	78332	16317	18229	120857	78823	76327	78126	35085	30713	1	1	36167	35451	1	1	1	1	13082	11836	1	1	1	1	1	1	1	1	1	1	1	1	57544	21344	12928	1	1	1	29381	26598	18873	19834	1	1	1	1	89201	43030	1	1	38417	34002	1	1	1	1	43805	1	1	1	16977	7687	1	1	256130	65247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52481	54459	1	1	71216	72723	1	1	43612	43099	127902	126562	103696	108088	8007	8970	40652	42419	1	1	1	1	1	1	12036	12826	8301	7363	1	1	1	1	1	1	1	1	1	1	203509	156462	30243	29787	38317	36650	41070	37747	53737	54925	44950	36050	35981	32297	44850	45006	28130	32945	32723	31290	54847	53618	36766	32125	43263	42123	184040	36209	46131	46957	34898	30685	38947	92273	31671	27217
468.1624@5.3979993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13375	10257	26166	25816	22677	24741	1	1	29562	31265	182659	193712	9337	1	334386	332710	1	1	98177	101945	1	1	178048	176188	109449	115543	13309	10988	1	1	1	1	1	1	152486	150174	108448	104499	86336	83518	187929	190967	29415	29026
244.0935@5.089998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14032	14042	12766	11467	16255	17561	1	1	27730	32329	53536	54960	8050	14045	159551	164445	1	1	67685	70488	1	1	81075	85251	60582	69702	1	1	9092	8153	1	1	1	11490	111188	106740	48919	42356	52529	55316	137749	137570	30251	28068
C16 H20 N12 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12187	12617	25871	26290	30899	31715	1	1	27654	26419	119325	121348	18877	19005	219600	221189	12413	15021	152053	155858	20257	19752	101718	99384	123280	120611	56340	60112	15368	15994	23281	22731	14508	12724	201487	213947	97167	97992	106855	104298	239676	233404	59913	56972
301.0473@0.9830004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55579	50956	63928	59684	42745	41991	16534	15352	127317	133608	42870	44478	57146	61056	47131	47601	44161	43688	24517	27506	149139	147151	178336	175189	39444	43577	225788	220680	128774	122825	41366	39246	157807	157919	45623	48525	129271	120498	21974	21938	116851	122881	273401	268061	141746	146589
C8 H12 N3 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18626	14936	18290	12299	18783	18529	1	1	22183	24451	49065	61073	15042	14927	154857	151498	9155	8956	55359	56354	29419	36583	85178	93812	58981	55719	16111	24907	17404	15311	15888	13242	11034	8781	89322	82186	47357	46856	49699	49578	87754	86664	21301	30530
217.9418@1.7581174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	305272	1	1	1	1	256851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	197978	1	197121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	650663	1	172182	473690	1	495449	1	1	1	440988	1	1	1	1	1	1	515520	1	1	1	921947	930758	1	1	1	1	1	1	1	831976	1458521	1	1	1	1	343256	1	1	1	1	647732	1	635221	1	1	796265	1	1	535256	1	1	1	1	1	1	367408	243458	1	1	31146	1	1	1	1	1	392895	127432	1	132631	174685	254276	207641	239470	235030	111760	162595	195205	193877	231454	269356	127599	1	207375	270446	134909	1	250439	207916	298612	188051	211092	252233	166771	176758	234627	215048
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258.1089@5.9129996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8791	1	1	1	1	1	1	1	16931	12745	15000	15125	17337	16647	1	1	32194	33167	59747	55909	1	1	156588	162104	1	1	75389	78723	1	1	79168	73715	65878	72437	1	1	1	1	1	1	1	1	105706	123932	47507	42106	50210	48739	154720	150233	27136	28638
332.199@10.311002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9598	31758	32589	1	1	1	1	1	1	51562	47516	29586	26748	21473	22728	46154	43685	26672	22764	86834	81522	1	1	33452	30441	67475	71829	1	1	32754	27742	1	1	31886	26183	136340	92413	1	1	82903	81718	161320	186171	26878	26382
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694.5481@14.797999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10962	1	1	1	1	1	1	1	1	1	1	1	1	43421	34704	1	1	13165	13765	1	1	1	1	33249	34923	37314	28509	24974	10023	9041	1	32692	1	186687	141247	10123	1	1	1	37564	21819	14320	10981	20590	1	19646	1	14550	10559	22230	17010	15781	1	16532	14783	29534	1	16219	13596	178312	12848	1	1	38702	16483	118832	233675	31856	10746
262.1125@6.8919992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40518	40345	87559	80444	87398	87915	1	1	84920	86481	302003	325035	13239	16144	536619	523077	11530	11310	274437	274877	1	1	275415	278906	265959	262669	24942	29936	13476	12193	14016	17035	14036	11559	395692	406494	159173	161735	190528	192026	537407	532225	99039	104000
312.2295@11.072999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12849	11504	57062	58297	63714	56169	24154	27237	1	1	76087	58652	46992	55812	23925	20924	45350	38839	26686	21392	72733	60587	1	1	28151	21149	49129	41236	1	1	23112	25749	1	1	22542	27907	167566	65515	25642	20431	70746	54359	138007	186113	23854	28270
211.0701@3.6520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68122	66584	39156	37576	9763	8461	1	1	1	1	202998	192281	67997	65321	72173	72390	37013	39355	157408	162684	62510	57686	1	1	171104	172306	73975	75210	1	1	71420	68169	1	1	52440	52082	79672	73898	12497	12997	84593	83013	80601	79055	1	1
300.8662@0.8809994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	150836	142753	145203	145822	136846	131577	162150	158344	112489	111602	160220	157403	159841	165116	171162	168131	150178	148264	169159	178092	161994	164257	158695	164520	165637	164192	172389	173631	166672	163130	150864	153560	142066	143846	113982	112653	161933	159446	139470	135024	144704	135861	110967	113028	152407	156531	171237	176222	125485	126067	51316	51086	53393	50740	62398	63688	48248	52006	86367	92288	65075	65839	104056	110226	63132	65412	82085	74476	43829	43386	119492	116741	117986	112347	67438	71545	116290	113657	110880	112307	58782	58904	103825	108923	61804	60022	104528	102180	75196	81081	99663	106192	121811	120767	112860	110399
280.1236@5.2650065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42608	40170	33351	31153	24504	28475	9700	9612	11776	11052	15623	16909	18294	19070	26708	27444	30636	28592	16312	14387	13851	16633	16551	17026	33390	33685	40236	37981	86807	84514	82665	82660	38760	41077	99534	102036	75258	80734	96335	93890	44109	46403	106501	106662	110762	117602	38764	40907	1	1	29747	32764	29056	27412	22491	25593	9700	8709	1	1	20369	22607	12929	16265	30231	27251	32344	30758	39188	39532	27973	26402	92936	101645	57883	53741	22431	20761	120196	116067	108098	112158	40889	40610	149423	142522	34981	33209	101732	99054	14640	15430	46927	43793	9066	9670
L-Methionine S-oxide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9886	9350	13850	14921	12467	14580	24780	25569	1	1	8722	9459	19579	20667	13065	11219	11893	11832	8659	12148	14855	13302	9005	10466	17326	17977	9754	10280	21262	20742	8648	8144	18222	18081	11457	10388	9771	9180	8483	8827	15504	17121	1	8263	14090	15561	10720	9689	14609	15261	1	1	1	9870	69608	67852	51199	54387	135257	143042	11897	11566	25957	23226	1	1	1	1	1	1	52735	55623	220506	222315	1	1	67784	62469	134215	129991	1	1	118566	125360	1	1	39685	37604	52636	50248	55931	56258	16414	21020	124349	115393
344.2353@11.632998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8040	1	1	1	1	1	1	13480	12914	1	1	1	1	1	1	1	1	1	1	1	1	17444	15419	8312	10830	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14542	10633	32659	27379	42991	43014	1	1	1	1	94399	81301	97685	85320	35512	36509	1	1	24046	14638	1	1	103159	84729	19191	17624	63409	60272	67681	64586	126644	114327	55912	52143	79669	71367	29295	33264	182595	70611	1	1	222660	190188	105977	136696	62487	57473
599.7893@0.8560004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	182206	177004	206889	200610	149029	142743	196716	198579	195721	201316	192848	190323	196604	205142	182161	185293	202114	199495	185857	188847	195329	191502	210846	209985	193102	196085	208008	204315	193467	202928	219583	218400	189952	192933	224502	220302	204574	214948	204900	200499	129283	130106	206380	203002	146733	147966	179246	185084	199074	211500	91425	91177	105333	102935	89429	92445	151462	152881	94691	93902	106147	110763	152262	156359	121599	117515	106365	111174	117299	118127	111251	104506	97405	98068	120765	121468	100473	103728	115826	113788	121664	119276	98672	98731	115515	118580	114535	110375	187457	183947	110025	110292	102190	104779	107000	103919
222.8364@0.92699987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53155	56028	45626	45755	32801	34261	35318	38194	54542	53861	47805	44115	45300	47084	53641	53444	43140	41566	51533	54346	59363	56307	39747	39760	43233	44142	33429	33394	51914	52807	35628	40775	48606	46439	40920	36395	33660	33943	49375	50680	56860	53641	49756	49887	24032	24272	53542	52112	57523	53236	57945	59227	56058	55544	60034	55336	63315	64730	42468	42355	44345	43105	70448	68604	83487	79895	55916	54678	88590	85566	49731	50771	48974	44594	59953	57503	57732	58774	39592	36423	77784	76860	46158	46296	69957	72652	55854	54047	126664	126909	55847	57149	54256	51012	67876	68093
175.0845@1.5769998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14099	11962	18391	19495	7060	7578	86265	84053	34046	37335	28226	26229	1	1	16893	16046	1	1	119855	118722	88382	97004	22163	23920	122110	127330	165497	160910	1	1	87274	83193	1	1	122914	123151	17170	15992	81427	89204	208199	206926	145226	134989
C20 H30 N13 O6	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24259	23883	123527	125780	89327	87991	184721	185580	43625	41445	183347	180892	24268	24974	42748	41980	17111	15890	163506	170187	165466	165058	78179	77609	165685	167057	157596	163817	59998	60814	198231	208067	1	1	115507	129530	101396	99418	123827	129277	160400	147774	192464	199126
C10 H14 N5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49645	49692	69191	67225	85138	89425	44702	52835	110204	105944	396601	395769	50006	49716	537482	523820	30009	33000	1177854	1177076	73073	72042	259757	257477	723218	709902	277298	284067	48990	47200	139650	137038	53868	53794	1560697	1586499	270012	255698	548554	547687	1682038	1686827	531529	534948
L-Homocitrulline	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24231	24008	16773	18307	14647	11950	1	1	24872	24207	109598	106303	34564	31618	36906	37244	68487	66310	24309	22329	98420	99173	30925	29831	92160	94770	120569	115545	36584	39860	14968	13310	54867	54462	15257	12952	163737	161697	15558	17427	92119	95825	199269	190899	39577	44019
313.1022@3.1029978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	315798	294673	257823	259521	241791	62904	326896	327153	61865	64924	295159	309101	59177	60531	199734	199192	563455	569733	348603	348298	205436	48852	338254	338426	309988	312179	64961	42419	293923	283327	58887	207066	254351	248911	145240	151114	58389	54772	199376	40620	51511	158640	282302	287845	447075	445195	47218	235855	262184	249634	103460	32962	105385	37705	96346	99415	95852	53242	113468	114448	97592	89322	158323	159205	128146	106125	165331	150223	36155	104496	173196	190376	196028	188109	139561	24118	208557	194051	192114	188730	44439	38740	166949	169451	40639	104635	179439	184621	115671	109714	160129	159690	216050	199431	166977	171522
174.0528@3.0378077	21354	23371	22847	23827	19188	21812	25098	26157	23462	25144	27682	22808	20988	27407	21103	24684	23756	25515	22768	20312	18300	21269	23971	25557	29788	32199	37913	23838	26620	30533	33252	33576	30143	33222	33238	32115	43185	27907	36691	28528	59468	29780	37329	42607	32402	48030	33611	34183	43106	27428	40019	32098	35124	31475	28854	27650	36034	30259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	151399	158503	176126	160461	150743	176655	151550	141025	183642	173547	160406	141970	198565	207978	80127	66093	78736	76785	61906	74441	104551	86757	91749	94016	70842	71844	89962	98864	88869	98273	73674	70809	86026	93813	72873	84723	80686	85932	76384	82626	97365	97799	93794	86731	91992	93571
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C14 H18 N16 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9140	10296	1	1	1	12046	9957	48002	46209	1	1	54916	54752	1	1	97448	99834	11393	12959	27651	23067	66617	64143	30757	33347	1	1	15257	13580	1	1	138502	131415	29918	32508	47288	44130	166367	171079	39711	36636
286.2143@10.552001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14428	12981	66847	67167	39818	39199	21497	22309	1	1	60980	55887	42336	35824	34765	31306	43444	49451	28274	31797	82874	75612	1	1	34247	33225	64432	62117	13240	9287	33396	31918	1	1	36198	34428	105570	66684	27603	26072	80061	78282	134166	166358	31192	29943
2',4',6'-Trihydroxychalcone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17374	15892	17546	16631	17413	19624	9600	11204	31662	32361	57812	56673	21681	22258	142438	138134	16406	18012	111059	116794	14103	12448	91253	88875	94263	95553	41344	41118	23118	23670	19754	19967	17830	17899	138102	161576	60683	58472	83409	86367	180139	177276	58014	58974
457.1786@1.236	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7177	8316	17741	16009	11485	10403	40448	41681	8498	8582	33947	36844	25267	21874	35354	37477	16519	14684	59669	58653	8014	8940	18470	17320	39730	41004	34754	32763	31207	42121	1	7825	16895	18907	11919	9996	34098	35197	11959	10872	8986	8411	14032	11638	32425	33255	44181	44940	11431	12601	1	1	1	1	1	1	1	1	8392	8307	1	1	1	1	1	1	1	1	1	1	1	1	8687	8601	1	1	1	1	9502	9645	1	1	10199	9483	1	1	10096	10901	1	1	10020	10427	8716	8737	6498	1
125.9959@0.8972475	344227	356220	336736	348008	305613	308616	303030	299848	301861	285060	285225	307373	320671	330722	308498	325447	340345	337447	318521	325062	212977	215193	464391	465806	303584	326154	392062	379669	323981	323567	173278	174504	141446	137761	138227	134913	103871	100930	85855	76875	203576	195128	118961	124223	167364	170446	144743	146923	117532	123942	46041	50243	119742	119688	33701	39183	378857	356537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	180939	183530	111943	144739	229470	234957	161902	165373	97163	137548	154925	160697	171262	124260	196895	191812	157267	161556	184629	186187	177653	187081	170632	172879	167958	169968	166728	160393	141304	182631	131972	93578	154509	156347	137876	75804	173564	168329	153810	147990	241535	246908	87392	86981	168992	166428	212322	213234	114866	159239	143684	130387	98169	99964	186378	184573	60355	51496	201456	215226	115810	104719	211559	211596	109063	87760	129421	168368	62336	60516	251677	242055	195945	209600	92600	91161	223742	197022	207160	192767	93202	107847	194266	202513	96604	142945	249840	248724	93097	105412	244266	223788	252734	248216	218761	228129
425.8599@0.8799996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	169328	173224	209877	212830	219935	229080	210798	206372	223521	235975	208958	203063	188296	186125	141948	135633	205248	194706	140872	139634	136640	141761	194990	204130	164750	163214	217065	217316	174961	179875	235721	220814	192952	189748	231079	227584	220279	208740	202384	195202	117401	118270	193559	186019	176597	186644	147844	144935	143784	146163	106304	98718	166474	168650	154740	153175	231653	216822	134853	134232	214801	220394	126044	140252	174439	169920	183862	179097	184661	180433	138849	134964	130881	136041	206243	211658	121520	117392	192099	187805	164615	159369	157707	159092	157255	165672	143789	141915	115068	114462	157893	166939	104055	108509	125672	128321
Pantetheine	14962	15779	11894	15165	14966	16097	14094	14679	12498	12456	12219	14143	10313	14011	13200	9674	9890	14975	11863	9047	11458	15564	16138	14496	19478	18472	16442	15790	12808	18271	47076	50330	43049	43821	36141	32965	30157	29870	60240	60846	29198	33476	28182	32584	44894	45675	53627	57616	20858	20709	16793	20493	40270	45143	20270	15170	30233	31549	9620	11440	9667	12609	11943	9581	10410	9804	7697	10619	1	8143	10710	11015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8733	11742	1	1	1	1	1	1	1	1	1	1	1	1	9545	12877	1	1	1	1	1	1	1	1	1	1	38012	1	38121	40583	37827	36821	77043	80201	45799	44431	36632	28231	52445	43669	35341	37234	43972	45128	33741	41690	49510	50891	53291	46580	35738	34808	47677	50211	65308	59287	43012	44504	49765	39138	34099	33232	49683	37785	51178	42419	49287	51703	157305	171759	50385	52389	74929	61685	36696	45543	58181	57686	22575	14586	21821	23659	23923	25484	27362	19532	13240	21710	21960	18376	28381	21391	12365	13341	19831	17667	11778	11008	25579	31252	20964	19745	19756	14472	28500	31133	16194	16787	19224	20325	18455	20609	16736	18824	23058	20196	15394	20444	26928	23885	31779	26948	22203	21318
C7 H10 N3 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8050	10046	1	6991	1	1	13256	13451	7959	1	1	8004	9318	10826	8668	1	9866	9092	1	7904	12750	11940	7018	8419	9927	10204	1	7444	13159	12094	7644	8547	11254	11255	10635	7161	1	1	9485	7719	8738	8835	1	1	10002	1	1	1	9604	10082	83872	79139	94036	96470	91013	89382	63265	62838	113236	121883	84534	85821	120826	122127	105236	98969	95880	100562	59979	61842	278894	277718	154222	161490	77013	81179	318224	307582	150838	156038	69509	66657	119179	110170	86982	89956	193829	193146	52726	51306	233242	235583	272900	274280	127938	131509
174.0527@1.4589998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	185688	181309	167174	169367	171223	167519	168803	168828	194034	212039	181710	179912	212242	201585	96565	86610	84387	85248	95886	89356	106145	120366	125860	121491	97092	90675	117986	106701	131482	138114	101969	99826	119162	138203	110116	108034	124579	128797	100103	105939	124343	111668	123189	117221	125566	123912
133.9542@0.88300055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143786	135919	112593	121880	82110	80823	104860	103218	140474	141715	131710	131306	135711	133063	156725	155017	130199	123044	165738	161355	166548	169581	121902	122626	142705	134056	115784	120161	152634	157690	116191	114992	142411	136835	116592	113498	120093	117965	139742	144600	138900	147213	154900	161861	75165	80031	164221	159801	161862	165968	117868	124620	146470	140761	158143	159158	133445	138775	134303	140121	133871	135242	169000	172846	174028	178337	126169	121998	177424	173214	106792	106728	113737	111465	135198	131765	120700	121175	90500	99487	163164	166716	114944	105503	170255	175541	101111	96723	178461	185693	128924	130017	103626	101449	143978	145625
F4-Neuroprostane (4-series)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23008	24008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15845	16983	1	1	1	1	1	1	1	1	15865	1	1	18229	1	1	16532	13354	158850	169773	17236	1	47061	43663	1	1	1	1	1	1	88491	77680	97747	97300	13370	15427	40079	40533	159099	145379	19975	15884	102836	98749	1	14532	73555	70032	1	1	134844	141459	45184	47920	87853	92661
233.987@0.84074146	1	1	1	1	1	1	1	1	7409	6580	9211	1	1	7883	1	1	9562	1	1	1	1	1	1	1	1	8990	1	1	1	1	12860	9369	11503	13270	11201	12716	15697	12436	10425	9365	7153	11878	8925	7093	1	1	10094	1	1	7955	8425	9861	10837	9521	14259	12579	15334	11623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	162820	160559	144471	148872	117460	112496	148608	143156	159950	156009	149357	153586	144826	145756	159756	152247	158340	160128	158447	156386	176013	183176	170233	166986	157055	163011	143691	149058	160476	160744	154899	152776	149922	155631	153237	155058	148797	152840	157043	165782	125077	131986	169219	177119	120644	114740	163324	171500	174461	167130	100050	100289	96963	91757	97858	104823	113210	108786	104534	103195	92331	93401	109888	112592	102681	100801	87255	81771	103779	119779	85599	81298	99315	94593	89117	103987	90029	76820	94183	95967	102482	97261	80749	90006	116176	102589	83494	81202	107954	110040	91774	92401	76154	70446	99555	91507
283.0915@2.8649998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112365	46261	42150	118308	120373	33867	35645	75146	83417	25047	25304	146018	135064	213321	198078	62457	62007	124105	127734	186493	186017	36883	37927	170281	173852	26981	22925	172270	166182	71452	71880	153817	148404	185245	188642	229251	217919
258.183@9.407003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23024	18587	40344	37816	29416	31588	14574	17115	1	1	40644	40053	32600	32895	36095	35993	34639	29893	25942	30325	110617	106986	1	1	25314	29219	120775	126835	11366	9115	33985	36439	9694	7333	35940	34682	87022	86003	16790	16014	104479	94782	141020	151580	44411	38487
480.38@13.575997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8130	12345	12279	18557	13605	12572	12210	1	1	1	1	23183	22853	23467	25330	12516	11998	26935	24129	9126	1	1	1	10747	10167	15637	17969	9562	11615	1	1	12072	11887	1	1	11952	17485	8895	1	53375	40266	8491	8847	32377	32623	10616	12200	1	8013	62905	62587	60454	46510	26950	17069	19913	12342	61504	25428	141235	106561	30798	15636	12211	11143	62298	41650	35888	30531	26488	8888	27708	13909	33979	27550	19078	15512	27152	16261	35455	32227	54580	14371	21393	21194	149609	17137	10190	7964	50729	20942	44489	67067	46018	26726
Estrone 3-sulfate	1	1	1	1	1	1	1	1	1	13973	1	1	1	1	1	1	17337	1	1	1	1	1	24672	23821	1	1	1	1	12143	12798	28574	27825	41121	44368	15430	14991	13423	11376	15460	14793	23886	25895	1	10908	24423	24143	31616	26700	1	1	1	1	11292	7969	1	1	43234	46172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68972	66689	1	1	76675	83572	29328	28488	35920	34840	64614	67265	23939	22776	19610	18090	20502	19704	105334	105536	160856	169637	39283	35690	46948	34336	1	1	25086	37052	40128	40047	19000	16560	13827	16852	14029	14521	44357	40909	58059	55930	1	1	59474	57531	13501	15018	17139	16985	1	1	1	1	1	1	1	1	44814	39474	16527	12251	7104	6037	1	1	14401	12734	1	1	21198	17847	16246	15143	7355	8174	22623	21389	47096	47509	1	1	39879	33100	1	1	25344	12117	1	1	21442	18001	27726	32354	26553	30568
3-Sulfolactate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100522	100646	1	1	68094	65021	36688	41058	48614	50493	21282	19864	22955	23983	35286	34213	57182	61456	39209	43362	107000	117308	53185	54953	37490	35576	12528	11316	34878	32606	50580	52355	9619	1	39639	36864	11498	9596	65923	68295	92401	96801	38286	41877	47392	49792	33052	29920	48764	46822	1	1	19164	19793	1	1	1	1	19802	19404	136612	150188	6535	1	1	1	124171	122604	1	1	23757	22345	30273	32664	104703	107580	17275	16142	21781	20372	1	1	25459	25218	1	1	30880	28518	12042	10548	23677	20135	28371	30903	27712	28925
Distemonanthin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9745	8667	16994	17267	17927	16103	18846	18692	13548	13083	9073	11820	10926	10659	6424	5644	13485	14702	6049	11156	6101	6904	16144	18343	10817	10553	17181	18269	7464	6613	24135	23815	12959	12199	22872	21772	20027	19828	13651	12882	1	1	11364	11271	15795	16731	8155	8593	8734	9513	1	1	1	1	1	1	10766	10772	1	1	6819	6156	1	1	1	1	1	1	1	1	43606	41383	12019	10938	6245	6613	53482	53487	10737	10069	1	1	8478	9013	1	1	47247	50849	1	1	40314	38537	154508	153305	17185	16510
694.5474@14.069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12804	11490	1	1	1	1	1	1	13176	13451	1	1	1	1	1	1	1	1	1	1	1	1	37731	36630	1	1	10271	1	1	1	1	1	24069	33775	28908	30172	17325	1	1	1	23627	1	131213	104076	1	1	1	1	24215	16329	1	11837	17245	1	20265	1	11836	1	20376	11992	12633	1	14567	11874	24945	1	17412	16051	102035	1	1	1	34465	16912	79058	151236	13482	1
C27 H43 N O14	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20898	21328	1	1	1	1	1	1	23866	29316	13200	12901	1	1	1	1	1	1	32016	34880	16604	19211	1	1	36257	40093	36840	36607	1	1	20432	18536	22623	22302	76266	52783	1	1	23348	22695	131532	160063	19113	19736
214.0088@1.125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15654	14564	11455	14958	23950	22434	1	1	18076	20911	32343	38804	39962	43016	27586	26646	23730	25466	14602	14147	11099	10219	22180	22288	32070	32201	20778	22883	1	1	23989	24160	30030	29372	32190	32274	21927	18744	26002	24533	19818	20870	33621	29631	37852	30289	29270	27096	16746	15070	32016	33176	41392	39727	14327	15681	143262	148640	32100	35072	33954	35398	19698	19689	36319	34427	14378	13313	91969	91665	26413	25146	27302	28877	106078	111313	39216	40283	15208	16112	39040	41819	17328	19482	82295	99962	29193	29112	85950	84386	132129	122034	109002	111509
144.0404@0.91299987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26043	13095	25211	21258	23687	19680	22229	16255	13398	11668	18173	22566	32943	27445	28009	29005	21190	20973	26137	22151	34178	24515	12304	25049	20560	19244	13132	1	28500	22906	15138	12136	29062	16320	28278	30583	16875	19267	38860	32236	40849	30781	21320	19258	11129	18632	8448	26738	36864	35629	22094	27155	18770	26366	82674	64367	22756	24039	151567	153691	36002	39917	60857	56640	30640	24010	55080	43815	15828	15356	106985	110158	64372	67075	32187	22915	72984	71768	51433	55594	23717	24319	53116	54789	20959	27000	61381	64129	55437	53767	92479	85493	71560	74564	107228	93683
610.4457@15.631997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25036	16339	25382	23327	1	1	1	1	26755	17199	64468	46948	27542	1	1	1	9753	1	22014	22329	40251	17369	12068	1	1	1	20982	16923	25510	17081	1	1	28729	16721	1	1	159526	41011	22950	1	53458	31090	1	1	21681	18752
HoPhe-Abu-OH	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10964	9236	10465	10764	12216	11658	14148	14893	1	1	28574	25773	10872	10105	13625	13080	1	8381	13722	15283	17770	17451	11333	12284	19638	17197	39395	37913	18859	17296	1	10941	13729	13416	1	1	16559	16704	1	1	21106	24190	1	1	14505	13639	25677	27253	1	1	65929	64812	42932	41319	35660	34750	33572	33203	39900	39030	104098	103451	38459	38063	123788	121935	68000	66333	44897	45356	131540	133854	45097	45870	72226	79351	88648	86197	49256	49243	62435	63401	38621	39879	121676	115910	75188	70400	16217	15204	87287	87899	93044	100291	42304	47303
217.9416@15.514005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	349868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52805	1	1	98523	63056	1	1	1	49716	109457	1	154034	1	1	119780	1	298478	120010	1	1	1	342614	1	1	1	52710	1	1	1	1	96161	1	48725	93741	183046	251062	1	342077	56204	1	1	1	1
577.3399@12.142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23984	17195	9201	12297	1	1	1	1	1	1	31034	45368	1	1	22470	23178	1	1	1	1	14852	20795	23265	27636	17450	1	1	1	1	1	1	1	1	1	1	1	70814	60500	1	1	36485	29416	15693	28922	1	1	36874	30548	24542	36849	62068	35345	20626	1	28406	1	126428	103439	31349	1	1	1	35807	22514	1	1	23385	1	22314	1	20834	19223	13554	1	1	1	18636	20117	26652	1	1	1	102233	1	1	1	33143	1	41409	74204	13109	1
486.1713@4.831001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11598	14013	12265	1	1	13327	13171	54128	57076	1	1	143513	142853	1	1	35361	33867	1	1	64395	61303	41151	35311	1	1	1	1	1	1	1	1	59460	56861	41759	42763	30644	30752	75311	72036	11357	11585
308.0496@0.9309998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	65032	66757	97903	96074	99359	100421	105107	106561	75076	77272	78080	74830	73180	73399	45555	44265	87126	88430	45318	50013	56298	55255	105633	102528	67811	71345	110477	110608	52450	57954	127313	124016	71444	71636	119839	124256	110959	113698	76526	80257	31255	26314	65689	65561	111522	109856	50490	50161	55116	52166	33970	29315	41660	45950	36116	33692	73924	69090	45089	45164	53199	50088	37214	35878	39086	41182	55719	54177	41219	40996	48357	50082	57157	53988	58898	59470	35954	37746	87106	85886	38188	35783	63088	65724	43674	47657	54263	54717	30230	30362	43753	48232	28645	30341	34102	32612
595.3485@11.698992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	82615	98131	71358	75494	42733	37022	51044	59476	51948	50630	105190	106698	91844	81710	126014	120266	89205	85200	141097	149881	92766	93965	73525	54553	115707	124074	154281	177128	129801	148948	53052	47648	101061	101827	56727	53236	64380	69489	103022	93020	71833	63841	52061	50949	58467	56317	113350	96860	63787	63941	32474	30421	27306	18852	52848	33302	29348	16228	32413	1	42506	53422	12760	1	1	1	13441	1	1	1	15346	1	44246	22224	15545	1	1	1	1	1	1	1	20868	1	1	1	100583	1	12791	9086	20446	1	30671	48667	17200	1
685.8404@0.8417548	131653	133884	129216	127239	158420	153683	129898	126383	129424	138258	154083	148187	147689	142642	134756	128285	134528	125995	129992	133627	148071	147203	120394	118708	137720	133005	136932	129576	115027	125506	195705	187147	182853	186030	184630	180308	181044	183499	179748	178374	182889	186537	178575	179752	195341	192233	184338	183179	192170	189639	108093	101968	187008	172532	190322	189283	178204	178756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137119	129759	137558	134043	89332	87186	127352	124709	142496	139646	125223	124617	123289	121262	125799	126896	129288	130231	120698	125148	130846	131784	130382	131383	125785	128613	129255	120643	130622	125575	134426	135576	127582	130800	141563	142371	124808	129800	140779	133281	78467	79237	142918	147858	76139	76923	124428	127427	140451	139539	71436	68684	76703	78636	69777	67362	108662	102130	58910	59084	71780	74234	102457	104696	83552	82691	61569	62090	85234	87887	48399	50708	47875	47111	70256	68915	43645	44826	51862	54010	82973	79894	48940	54289	85042	81186	48107	48185	106177	108663	61904	60693	40005	41527	55510	59664
224.0125@0.93487203	39772	33765	22070	22620	12933	11122	15386	23251	22962	25717	10141	12058	22942	25351	36954	32354	17832	12835	27503	26099	11108	12899	45946	46669	7321	1	20535	19433	23705	23874	16324	16549	21534	22288	14154	14958	15258	16286	28616	27044	20432	20087	18204	18225	17364	16740	26741	27840	6977	7107	9070	7994	29950	25987	1	1	23706	23278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6475	1	1	1	1	1	6411	8084	11548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6269	1	8867	6135	8564	9456	1	1	9342	8300	1	1	13144	7748	14086	11441	1	1	51669	50982	6862	8366	138477	145848	17940	10820	45861	46999	11328	1	21118	21070	1	1	97128	90227	47698	49620	1	6986	51707	50723	28880	29075	5639	6534	31835	32868	6210	1	50203	43331	29765	31794	74015	80103	63273	65664	85536	85384
695.4008@11.817994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48149	62346	66583	68050	69945	58542	48960	49896	21257	19889	57660	69828	68915	76442	96355	114001	45168	50007	65615	118357	41873	53134	43221	36798	65268	78565	118532	124848	84658	26700	28943	24995	71268	80191	23694	20284	57351	67251	53274	47834	195145	157909	30593	25693	113008	90129	78023	68195	36778	34956	63399	93316	81728	52549	81312	55006	32923	20289	59182	16653	372899	316304	53188	32153	21984	15177	70270	27151	16077	17203	44299	1	55938	20154	36292	25940	31398	25427	1	1	37937	39461	70133	1	23806	25180	392999	18965	1	1	75907	24229	181633	270143	49609	20610
242.9205@0.885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	115889	112849	101794	107824	107869	107790	121442	119700	78226	74496	129905	121829	131739	128085	133577	129415	110625	116542	129926	130865	126671	127155	116661	122254	120532	122353	123896	125270	117200	117793	98487	100080	108638	107714	78691	82311	123038	116963	99654	100873	123511	125851	84874	81646	132832	130414	136044	134258	98281	92502	42500	37985	42830	41209	49861	57203	39983	38701	85007	87303	49718	45496	77855	78538	42228	40109	53855	56231	31953	31085	88658	88680	110924	106722	48769	51438	83283	80104	95863	87580	46095	44974	93634	85658	41518	39139	82672	79314	55054	49753	89228	86362	97395	95953	95882	84257
414.113@3.8939996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8118	9119	1	1	22364	31965	55258	51968	9957	11152	150080	146613	1	1	27933	32276	1	1	90189	90683	44154	41153	1	1	1	1	1	1	1	1	51239	52263	26244	26896	29997	34774	61325	64287	12336	10265
929.8405@0.83462274	20160	19645	14155	15616	33017	34548	15631	13991	20460	18985	32280	30385	30335	28768	22636	24772	19094	20527	22302	23606	39459	37832	13269	11920	27879	29582	24907	24248	16373	14532	125176	128502	119305	126862	138327	133793	135545	137263	118019	118695	125530	124353	135309	135805	134741	131883	120635	120192	154507	160571	150013	146696	130002	128499	171377	173044	126166	126447	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70710	71895	72681	69400	57548	60574	63200	65701	88635	85233	66901	64277	66641	66912	59728	64898	67173	69697	60208	61883	62557	61345	65841	68206	67163	61349	63479	61895	65326	67233	73244	75444	74895	71645	81744	81341	70283	67567	72165	74311	47941	47109	80883	80612	41962	43727	63009	57299	68136	77022	67501	69607	77641	80529	65610	65169	113704	105303	40989	42563	78951	76031	76586	77260	89381	87118	74830	76683	107307	104276	51903	48982	26936	30217	81912	84399	41257	45882	39604	42961	89111	94274	38388	42526	89371	91314	53819	49388	119272	114848	58259	56860	39216	40538	52280	51695
> limit nullnullnull 0.83662254	126871	127130	120129	115358	143004	142679	110026	116577	123784	127378	145014	141795	139616	135781	137695	132827	114679	118279	133445	138691	148027	144112	102020	92934	139536	136327	130111	135269	106918	110176	76287	75421	77101	77154	73799	72233	74650	74645	100058	95808	84555	78634	66601	65031	72065	73250	88367	88659	51222	50682	94588	94564	110482	107960	50165	51670	98023	96375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59155	59190	59049	55694	74818	77485	60204	58442	47234	48049	65582	65706	62486	64314	65499	67132	61665	59951	66612	67992	61231	64171	59038	60637	63102	63825	70594	68073	61822	61399	51767	49455	56778	58738	47295	46372	62979	62104	53671	50689	82888	82479	42908	40954	88299	89572	65401	60054	44053	44626	95721	96084	85525	87889	95778	94419	60119	59875	109456	108563	93660	95111	82556	82424	98522	94313	109697	114332	81936	81703	129148	128916	117800	120635	104214	103789	128011	132726	121840	119781	93646	86644	125406	120548	93152	93059	122532	128646	62098	66207	122991	124007	132786	134278	122877	123184
191.0583@3.2939992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7867	1	1	1	1	1	1	68512	67371	9302	8761	11310	8413	9994	11292	19536	19131	1	1	80021	74812	67934	66204	7768	9176	85688	87349	140249	143392	1	1	81149	82708	7765	8509	48641	48225	1	1	34579	35511	140501	136343	61082	64607
208.0847@3.294999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62675	64286	10701	9661	10490	11168	10774	10391	15912	17388	1	1	75704	74828	67499	67443	1	8698	83234	81595	136921	140141	1	1	81353	79806	7964	9217	46744	48328	1	1	36832	31998	135716	133000	62618	61823
217.9312@1.3829998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15709	1	164145	1	71189	1	186630	165045	174090	95623	161211	80108	184443	82765	160079	152325	1	1	194750	1	94971	1	1	1	1	157260	93137	192439	186820	1	1	1	1	133667	1	196310	99440	1	183563	1	1	1	1	211760	173438	175576	196553	1
C12 H12 Cl2 O	97980	95348	91994	95555	91835	91845	88930	88837	89959	93732	85171	82523	94715	102794	92869	91872	87358	88596	92279	89669	75467	81936	88974	92112	90160	93901	90400	91737	91923	92102	62422	62264	74134	72501	68430	70260	51499	58073	74213	74345	88865	86541	63340	67769	77386	80238	74345	77037	43006	40900	54328	54662	93173	92658	23129	24455	115039	121798	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	121318	120170	111956	117524	116174	119320	136328	133027	83262	86646	141309	129450	139461	136626	139901	141019	121556	123176	142274	138224	136209	133339	126723	126065	133609	134542	133454	138245	131669	132387	107219	108903	116764	114742	88706	92509	131462	124850	111839	108962	129175	135923	90526	88835	139617	140782	141832	145655	103066	102684	48073	46786	49914	46348	56066	65437	48232	47485	89848	92416	56719	54068	92173	90370	49733	47725	59522	63044	39187	37786	96303	99337	117853	110458	59045	58100	91349	86936	101757	96171	54499	55555	100775	93579	50379	46441	92033	88627	66817	61385	96990	94544	106318	104770	102862	94882
C40 H25 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13302	16262	10986	11637	27915	28741	133773	125073	10857	11866	211368	214643	1	1	218561	217473	10753	10456	88879	85989	150854	151336	52419	54902	9152	10115	26203	28773	17333	16913	311942	320272	50072	46469	142818	139812	374936	371223	103685	106769
226.0821@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17236	16226	1	24391	20949	1	1	1	1	1	1	30699	25028	1	1	1	1	1	1	13806	16010	1	14509	1	1	1	1	1	1	1	1	1	1	24808	24787	1	1	19079	12927	12992	23146	1	1	30286	27276	1	1	22099	22981	81394	78276	76591	73723	77062	80430	33102	28637	38395	57106	99863	102330	70703	68982	80801	80048	119150	122779	62558	62259	134528	129631	33963	125410	89995	91008	143538	140475	138742	147194	77275	84521	127536	125674	88907	84616	114139	116019	49687	50514	116313	121720	152517	157110	109680	111889
470.1767@5.681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18235	18068	24011	20634	31888	29711	1	1	54719	49820	130977	123302	11324	11442	252012	251238	1	1	140535	139152	1	1	156238	156130	137776	125083	15659	16064	10238	11627	1	8313	7955	1	197767	208233	78466	75010	102479	106939	251586	253229	48489	47197
222.067@0.8769999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12779	9484	1	1	1	9610	11203	8645	1	1	1	8804	1	1	14549	13683	53677	55625	28460	23823	68937	67364	10320	9007	25244	22901	76995	84096	54747	55364	71171	62691	61722	69339	34001	31493	125066	123579	21921	19989	38438	39866	155573	148765	6732	8758	28698	25110	40460	32826	36376	41739	31898	35604	16538	15184	10702	10549	129131	139256	29296	32001
389.1878@7.443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21509	24285	35070	36745	1	1	20824	21140	1	1	77894	81492	1	1	1	1	60926	102172	1	1	1	1	1	1	1	1	123851	120647	1	1	70398	41144	114289	119634	24899	26002
436.095@3.7160013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11899	13880	27026	28618	14829	16490	125903	136180	10941	12236	17114	16734	1	1	64064	60177	19757	21003	10275	10212	10549	11045	1	1	7963	1	30316	31014	29750	30308	16900	18174	39384	40100	8744	1
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259.0646@1.0003018	42509	46327	41183	44419	31457	25087	37231	38845	37962	42458	24440	30558	34796	35311	30776	34654	44340	41189	34242	30573	31726	38111	51854	51912	36374	38803	52730	51017	71792	66014	21713	15638	28469	26419	30677	28999	10678	9932	53717	53854	18585	13054	18491	18221	31344	30808	45654	47958	6476	11402	1	1	37361	39897	1	1	28022	35213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10763	10762	1	1	1	1	1	1	1	1	1	1	12797	11381	9057	8702	1	1	19886	18727	10109	10008	1	1	13216	11436	1	10713	10778	14077	1	1	10668	8984	1	1	1	10574	1	1	19415	18038	1	1	1	1	9624	10677	1	1	35057	30714	36796	36575	20580	19478	11054	16174	49348	51514	38847	41526	33544	39280	30733	29467	51359	43587	18086	18727	83418	75790	85456	86424	47287	42304	104212	99314	80051	79002	30415	26831	83184	88278	29367	35790	69779	69439	20294	20475	65727	66354	134152	128820	84497	82794
Glyflavanone A	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24878	27652	26848	29401	55848	54296	29873	28642	26023	26313	36519	32455	25382	25554	31786	32121	27779	26093	33648	36154	32327	32519	26511	24981	33680	34207	41105	39269	32542	35742	30684	30781	23287	25530	29101	30225	31096	30212	32455	27990	116768	116504	35416	32186	45519	46312	29274	31386	31588	31754	8697	9837	11573	13725	13570	17430	12370	13429	11399	11852	12090	12035	12457	13709	1	1	12036	12085	8830	8048	16319	16219	10981	12221	10504	10350	17413	17906	11484	13469	11860	10398	13139	12618	10467	9039	16004	14892	10864	9769	16140	18083	19170	20155	13480	14928
357.1224@5.944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15957	15033	1	1	1	1	22612	24613	30889	31282	14059	14725	1	1	14393	14883	82247	76794	1	1	12492	12675	81559	85105	1	1	9749	8158	1	1	1	1	99087	103094	1	1	66081	65455	122298	121190	17833	16730
C5 H12 N2 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	180063	175838	246754	245158	250137	247869	296896	293640	190693	184471	217559	209072	191553	196548	129200	130914	233113	230295	138875	139336	160826	155013	262693	278471	202196	203332	285940	290816	164865	164692	321395	322985	195331	189747	308759	321754	310461	300949	215023	216535	86459	86364	176446	181205	306755	309649	157670	164050	156929	157248	118516	113309	117467	125991	118270	108231	193654	191715	242320	234653	157777	178892	121916	120428	119486	121576	162287	146602	117177	113168	172748	183786	278324	284663	165535	165312	150999	152338	383562	387100	100226	104682	301015	311054	118218	114339	182479	177229	90521	92668	153769	144028	144916	147048	162629	146997
344.147@4.5199976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76389	134027	95389	50744	84661	108968	78830	78755	102911	63975	41879	119442	92088	80154	89699	97756	88736	114950	41150	145143	88370	125549	81637	49555	145437	152141	148846	116642	154417	147968	67135	99523	82419	81392	80250	74823	67755	139970	125536	66397	103301	59851	72293	84403	91729	80781	53649	95602	98578	125146	50644	43146	1	50193	73321	71527	72961	104284	74205	85675	41899	56518	53059	56503	1	1	1	1	1	1	54458	71620	86447	97351	1	1	40363	29116	53593	47495	1	1	78282	73307	1	1	114237	51425	70773	55926	1	33903	1	1	42684	19454
318.2195@11.252007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8703	9257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22853	23929	53300	54613	1	1	1	1	95464	89585	86221	77993	32958	36536	14907	13557	12644	12719	13714	13810	57184	59376	24105	21954	82250	80288	64035	55678	98061	97528	68199	60795	75781	68172	42058	37240	84454	49072	1	1	154275	138671	90691	104864	51605	46421
263.1203@7.202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11631	18896	22155	1	15095	1	1	38856	34396	47978	53695	1	1	58806	62124	1	1	86714	84965	1	1	37458	37619	66942	67389	1	1	1	1	1	1	1	1	127690	120680	22808	29068	46314	47005	148247	145493	33759	33400
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217.9416@1.7249997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	777353	1	1	1	1	1	1	1	1	1	1	625162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38661	1	261030	490986	168013	120118	91531	254276	95522	1	220534	111735	76485	195205	195407	215950	270163	1	285697	193245	270253	321377	1	250439	194209	1	183814	160288	220439	193805	178525	237620	209050
174.0468@1.2160014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49553	48661	1872902	1960550	54884	55103	73449	69966	58480	54618	1752064	1749956	2151972	2187590	2103937	2081093	60648	61679	76630	75928	52918	55991	64054	61022	1712247	1743055	2290098	2316383	1559260	1587252	57822	56680	1957649	1914952	66764	64927	2425720	2402629	66243	68450	60182	57834	62423	69035	1714810	1682753	2206842	2251242	63679	62037	641799	179636	167336	49304	53638	55734	58421	53325	309463	50148	40343	303758	57268	57477	455175	430771	309586	315121	313957	327391	33331	258000	579966	581020	277536	292258	411770	414160	248942	269577	468298	481378	520603	529723	556189	568854	33713	268696	29076	30854	35020	33841	161438	167507	250287	254507
8?-Hydroxycarapin, 3,8-Hemiacetal	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10337	9688	1	1	1	1	66545	68154	12564	10174	25680	26352	1	1	12223	11199	1	1	19342	17510	98331	99013	6245	6256	17955	17729	103051	97319	1	1	73935	67245	1	1	18417	11030	6201	1	27711	24860	18503	18957	57062	56904
417.2183@8.615998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16807	17686	47870	48916	21134	21713	1	1	33820	36011	49063	45918	1	1	25681	28774	1	1	70168	70360	1	1	20531	22431	61365	58475	1	1	8871	8717	1	1	1	1	87501	81181	7893	7796	44306	45500	102288	107863	17643	19284
665.3607@11.899001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18355	13541	1	1	1	1	1	1	1	1	18798	25758	17350	14562	20528	1	1	1	20051	1	131321	104651	1	1	1	1	22957	13644	1	1	14648	1	17279	1	1	1	1	1	1	1	1	9207	25024	1	1	1	113513	1	1	1	22746	1	58587	103987	18044	1
276.13@7.598003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11383	1	19940	21376	14485	12085	1	1	36340	22913	50073	54386	1	1	65875	61646	1	1	78200	74258	1	1	30511	26207	61121	55347	1	1	1	1	1	1	1	1	97039	84688	17847	20589	38497	36293	171755	174344	24025	21223
643.3703@11.913001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22808	28749	29546	32212	23700	1	1	1	1	1	45141	34846	35979	46586	56289	42610	30515	23580	68018	77753	30492	28049	1	1	41421	38497	1	63809	51991	46068	1	1	34426	46359	1	1	1	32285	28950	30871	67535	43581	1	1	26788	31184	45093	41151	1	1	20885	24745	24747	15469	36223	20117	1	1	1	1	104262	80492	13206	1	1	1	16872	1	1	1	17253	1	23074	1	1	1	1	1	1	1	1	1	24356	1	1	1	114635	1	1	1	21594	1	48930	82269	13165	1
138.0315@4.3650002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11465	10647	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	86119	83289	47699	50093	1	14458	1	11172	1	1	32261	27729	23079	20409	32302	36507	43953	45884	46321	52406	19721	21412	15837	16368	70684	62525	36495	28049	11321	9745	55317	49181	1	1	20064	17533	88965	87066	11950	1	72823	80245	27785	25575	1	1
601.367@13.2109995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26063	11807	13993	81535	77780	35724	36830	18728	13877	36292	39199	14254	17289	59384	65284	23870	25000	78446	71548	23666	24436	23904	19160	47437	43113	83483	93204	52118	51954	12926	13502	15565	15400	17973	15254	36634	46329	25311	21793	205504	149945	20183	18725	79701	86191	55497	50773	27644	29607	96598	16974	18562	15402	57770	28543	1	20228	38188	1	69195	33216	34633	1	1	1	13034	14003	44559	1	15859	1	12213	1	1	1	1	1	1	1	22585	1	16768	1	10319	1	61532	1	1	1	18132	1	44597	88536	19664	26820
325.9262@0.8450007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56245	61358	63132	67556	52896	50387	53478	56749	56978	55152	49619	51958	53400	50200	51409	50786	54440	51728	48124	49804	51433	49053	53326	57789	47605	51642	55545	53646	50761	46471	61842	66077	53985	53686	51013	57571	52438	54600	49868	58676	42087	41005	56969	53151	56549	50619	40510	44356	60185	54544	26200	27074	26103	25874	28484	25671	35846	37909	35246	33923	29978	31311	37530	34060	30365	28039	26859	28348	31418	29306	33990	34362	35618	39571	27979	25878	35369	34672	34503	38236	28445	30347	35807	34601	27372	26918	33567	31525	39807	44940	29574	31564	33740	37748	29687	33536
His Asp Gly	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9782	8866	9447	9349	11776	12312	1	1	12567	14757	16298	18355	28799	29312	9629	9823	27903	27521	1	1	76422	75212	30657	34688	16105	16738	100160	98261	30965	29812	9253	8596	25773	23923	7104	8210	78840	77978	1	1	57830	64310	108086	106714	26747	27606
634.2461@7.3000016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30957	31700	66561	67700	1	1	45468	42891	1	1	91418	90495	1	1	26898	28869	65157	66142	1	1	1	1	1	1	1	1	87387	84289	11541	12087	37994	40374	119793	119626	15031	16699
536.4003@13.858	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8635	1	1	1	1	1	1	1	1	1	12921	16409	14981	14947	1	1	1	1	1	1	97616	82767	9413	1	1	1	23987	21470	1	1	8408	1	1	1	13870	10683	1	1	1	1	14119	16643	1	1	9795	9672	38524	1	1	1	9615	1	43185	77751	1	1
839.4029@4.309001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26083	22248	24940	24133	42545	43490	27065	28606	92627	90811	29812	30629	75364	74296	23783	20992	26274	26320	18577	16056	82439	82473	117829	115250	30821	29324	78403	77298	106009	110396	26534	29070	89643	85074	28932	29584	69724	76002	28491	28389	62315	63630	92369	95830	74399	74906
Fenpyroximate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20627	19877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5694	6378	1	1	6068	6031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	65741	61982	9775	8759	1	1	1	1	14933	14813	1	1	25151	22790	69937	70964	6266	6223	27818	25560	102981	97865	1	1	49501	42841	1	1	20293	9918	1	1	26715	24644	43365	50227	43128	39053
HoPhe-Leu-OH	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50132	52814	70557	66384	9727	8547	21268	17672	33258	34591	9952	9332	20104	22803	1	1	103197	97425	10809	10629	13964	15277	60367	55522	8654	9562	13387	13471	8625	9405	17468	15334	18602	17683	1	1	32505	34148	33666	32237	8275	1
128.0174@1.2923762	257806	29113	33918	38716	29825	246266	27277	31321	282090	23011	234278	30957	25383	30527	215796	227294	318842	29300	25579	31122	187620	24589	36859	39326	35118	40248	289889	277193	7156	8264	26755	125085	137897	204845	25746	118010	94257	120695	119504	131821	138453	135117	144832	15436	15254	29228	127945	118911	58023	89836	1	1	165943	22847	81461	108673	133470	35599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107555	82093	116232	97586	107657	153259	80665	53525	71604	89514	78059	100377	83963	113248	62364	88500	52308	107823	135955	68779	106719	83086	52276	54051	112005	76969	67895	86522	142048	55252	89006	109467	111960	114532	93837	123485	71636	79937	88621	73858	118582	109393	92808	171374	78464	103525	75695	52541	188683	69744	56022	41264	46035	46794	84427	98314	44766	56182	57824	64234	43310	34525	64985	55353	40910	45063	51144	56651	41291	57140	63151	57203	45375	48121	38213	32616	94942	52925	49950	43559	51519	80792	48604	49627	42853	62088	83204	47080	39348	65996	84562	57972	49107	43718	97819	37995
Sulfoacetaldehyde	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	91293	86509	65229	73398	83753	81915	78050	77819	70036	75941	113620	118360	82180	83482	107528	109413	109937	106670	118364	120921	117113	118394	81207	79482	130521	131209	135644	131049	142217	138833	81225	81452	95869	89622	76512	75220	78905	79687	105161	101861	77357	74488	69155	78522	89288	90947	129874	128671	79521	79117	28440	25279	25881	26667	53239	49111	42495	42670	38414	35557	26171	27418	36554	35560	28552	27184	28691	28043	28655	30286	24633	25749	60126	53841	25818	26154	32815	31949	38761	40078	26917	28369	40488	36750	28190	26739	33516	28723	40541	45724	29720	33336	22818	25253	38783	35972
296.1075@6.638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38732	40072	1	1	51588	45671	1	1	98124	96002	1	1	14254	17186	43729	48574	13496	13638	1	1	1	1	1	1	104814	122171	13725	11856	36697	42569	121275	108197	29589	29733
280.1312@5.266999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42608	40170	33351	31153	24504	28475	9700	9612	11776	11052	15623	16909	18294	19070	26708	27444	30636	28592	16312	14387	13851	16633	16551	17026	33390	33685	40236	37981	86807	84514	82665	82660	38760	41077	99534	102036	75258	80734	96335	93890	44109	46403	106501	106662	110762	117602	38764	40907	1	1	29747	32764	28714	26887	22491	25593	9700	8709	1	1	20369	22607	13067	16267	30231	27251	32345	30758	38976	39532	99340	100662	92936	101645	57883	53741	52010	53332	120196	116067	108098	112158	40889	39602	149423	142522	114366	116541	102750	98782	130421	135126	40888	41016	31932	35142
763.4275@12.0759945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21907	13327	16720	1	40013	19227	17038	1	1	31411	28466	24447	16075	25260	28171	22356	15211	89676	19327	22462	19350	1	1	25832	35824	32379	37684	29692	34634	1	1	27163	26588	1	1	15714	26858	16631	1	113974	56866	1	1	19209	68860	37340	29270	1	1	26659	39302	46102	14881	36879	1	1	1	22955	1	324594	284681	16408	1	1	1	19833	16321	1	1	17018	1	1	1	13960	1	1	1	1	1	9564	1	21201	1	1	1	309767	1	1	1	28284	1	107602	55356	21090	1
248.1409@9.022426	58637	66981	25437	35147	33316	29752	32418	26975	37403	32772	43225	40785	83261	67952	66005	47219	125295	39396	55652	45928	42278	56490	21446	25835	23152	18964	22537	18052	17705	19643	36223	32195	44129	42537	23801	24119	48713	38371	21208	35186	53986	44098	29726	25832	27721	22541	35823	33283	1	10204	21763	18998	43955	30459	17862	15640	59878	44761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40152	38391	45700	52205	46452	48282	50056	46917	32298	32022	33936	34193	41833	37655	41406	41731	37947	36834	48548	47148	51143	51997	53683	55794	30674	27388	36862	29033	30389	24670	40214	39722	36589	34464	23437	25056	57711	50769	27060	25000	102557	98885	32527	30108	50334	51567	28732	30490	43216	43113	11605	1	11446	8547	15552	14054	15017	13753	24766	27460	22739	21627	31364	28317	1	1	1	1	1	8495	13050	13182	30412	29587	18690	16660	1	1	12225	1	18350	15647	22275	15871	1	1	25843	8441	10738	10451	12220	9703	1	1	15240	12044
753.8265@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	96254	98356	98029	99325	64150	64741	93459	95222	108865	105094	95617	90930	90481	94701	93769	90413	92309	94310	91015	87868	92865	97678	95312	93783	94381	91123	88490	89074	97159	94301	102831	103023	93438	96659	103941	101397	93274	95627	99035	94873	57779	56127	103021	104172	51321	57673	93318	88902	99956	100669	49741	48915	56476	55339	48228	48086	79897	72613	43985	42175	52433	51075	74419	70283	58787	59274	43183	45854	61666	65693	34648	31386	32872	32788	54891	51869	25680	31940	36951	38371	63741	57910	39003	31256	61555	59721	32896	35679	78900	80396	40381	38030	26543	27151	42490	41237
693.3822@12.079995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46491	49612	1	1	1	1	86369	42271	1	91537	58580	1	1	102297	120347	1	41353	35084	1	1	52243	100139	1	1	1	1	1	73068	67909	1	1	1	42656	47781	1	101088	1	1	1	95737	1	50915	80376	1	1	53559	1	43948	1	40333	37462	23497	1	49354	1	229261	202838	32602	1	1	1	47786	36383	1	1	47773	1	7969	1	26965	1	15409	1	1	1	26320	32548	61111	1	19772	1	297882	1	1	1	58214	1	82518	60872	33381	1
562.364@13.166011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8756	1	1	20243	27189	9399	13349	1	1	13744	10581	1	1	21109	22682	1	9215	29759	25730	24075	1	9449	8599	25616	15135	28980	28921	18288	19736	1	1	28921	1	1	1	12144	14559	11503	9877	66483	55005	1	1	26028	27310	17890	15394	12699	17262	19156	31145	35698	21614	44756	8379	67849	18700	26134	1	80146	46622	28241	1	1	1	15395	14216	6935	32429	16077	1	29743	1	1	1	10323	11741	25691	1	1	1	21949	1	8688	16174	56833	1	1	1	57986	12071	34223	88469	20950	149279
C10 H13 N5 S nullnullnull 5.431	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20744	17121	58671	65580	137632	141571	159625	152218	176889	181788	131181	125618	735071	750480	81158	85066	1070243	1041357	63619	63438	947088	953924	274706	289566	475622	463392	788986	781167	604077	620728	80454	75650	169953	305778	70153	72718	1334970	1346346	514205	516635	626383	622244	1691400	1646541	541823	529084
160.0356@1.2710017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26766	23020	31843	32134	26783	39645	45616	46085	28150	24133	30214	30529	37122	39868	31991	33293	27360	36936	29466	33890	30994	31734	25612	35053	32625	36735	48495	42984	30873	34148	35138	28866	32546	34441	37507	41499	36121	37225	25970	33142	36521	30476	29165	28189	49322	53603	27370	29731	34311	33238	24263	19821	23726	25704	50283	49176	31909	33921	114505	112634	26787	25926	56517	56943	17517	16710	23038	21318	17581	15845	80355	74833	53008	48770	25021	25263	55260	59922	46970	40775	20160	21231	42821	45833	21343	22268	61494	59429	40402	42903	73474	71649	51555	49192	88688	80450
141.0059@0.8820009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19078	23602	19279	24932	28956	27484	25703	25006	15523	14370	21864	27231	24458	24051	25144	26623	27919	24247	29326	26308	26713	31181	29488	28835	22091	23073	28664	20934	27494	25368	15004	22691	26963	23797	16179	20720	22229	23434	28324	23992	33389	34865	15511	15210	39477	40434	28739	29798	11265	18321	54547	54699	45685	45730	50289	53541	29734	27056	70548	71290	59068	63092	60687	62957	52331	50697	67547	66493	35345	34215	86718	73578	94910	97569	60364	57715	90739	91281	94328	98799	45828	47535	97025	89840	51055	43949	75763	70899	35655	33764	85859	82177	89947	96750	83409	88240
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361.2287@10.483001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13536	25680	38089	35019	222898	204221	69402	63178	1	1	64683	55769	132676	132219	13236	11817	42262	46708	1	13832	97023	89580	14733	1	20348	22420	143522	154194	8958	24951	13585	14194	13776	11475	23998	27895	280108	118539	24631	23240	154481	127586	237760	353878	67810	64009
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Pioglitazone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19212	20530	23099	22219	47772	44260	24654	26490	19805	21388	29327	32958	24182	20586	28968	30957	19579	22892	27391	27957	26260	27694	22693	20241	29193	32788	34878	34764	26754	26753	26288	28076	20325	19377	23947	25826	27318	23503	29792	25871	100443	100264	27540	26332	40918	40929	24716	25734	23590	28980	8017	8287	12420	10685	13108	13886	8081	10417	10411	10726	11168	9480	13446	12695	8470	7098	11012	10605	1	7839	15679	16057	10823	11923	10336	10490	17239	17265	9933	11750	10093	7583	10922	11798	9011	9196	13633	13131	10021	10417	15369	15345	19457	17452	13526	12793
275.8483@0.875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	85173	92998	84835	83899	64966	64001	81905	85665	93726	92389	92654	87601	93141	92032	95671	94826	94273	88770	92513	97000	95890	96957	94658	91859	95314	94798	90427	91747	98378	100333	94145	89846	93464	96012	87955	92491	85916	88847	96441	98772	73408	70288	97864	95478	69326	63604	98544	97110	97602	98386	61185	56088	67597	64899	63381	61145	67125	69526	63098	59928	60453	63767	83361	81063	75717	72955	62186	61129	72468	73408	56905	54582	64110	60122	62152	61370	57434	56422	61840	60902	74757	70931	58780	56030	73442	69533	52447	53923	87890	85896	63040	66156	51920	47797	62756	66639
5-oxo-7-octenoic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67415	68256	59138	53003	63489	61387	50790	53108	36393	36496	51986	53185	45671	47193	50416	48522	42238	44738	62530	58839	78354	83151	73831	78047	38061	37447	44707	40004	44834	37275	59886	64201	34411	36009	33097	24258	61117	62346	53183	58200	100143	114808	30300	35352	81569	76960	41633	44725	49258	50375	13538	12152	12960	11800	37248	38418	21148	21784	35934	39612	13643	14326	49302	49730	9570	1	1	1	9205	11591	32987	35296	72180	65239	23237	23245	21424	19766	23384	28877	15699	16306	34799	34537	9179	10592	32861	27205	15449	19142	18523	17611	1	1	33842	37298
588.1828@6.1650004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58019	59901	1	1	90337	94195	1	1	61059	70759	1	1	42828	43238	47526	45749	19302	19193	1	1	1	1	1	1	89358	111202	15013	15682	53283	54541	108735	100550	34654	36317
307.1824@8.932003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35041	34705	12550	13369	1	1	12012	11444	39748	44628	8850	1	13981	13978	1	1	59764	58382	1	1	9900	10078	95418	94735	1	1	1	1	1	1	1	1	79888	65678	1	1	87631	84223	80845	87598	21310	21961
411.2456@10.819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11334	10281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8431	10740	10401	1	1	1	1	1	1	17892	11288	20229	20385	1	1	13725	17531	1	1	24979	18654	1	1	1	1	27123	25347	1	1	9929	1	1	1	1	1	72250	24346	1	1	43972	36857	76505	111170	16208	9124
C10 H14 N3 O10 nullnullnull 1.9179995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78264	1	1	1	46694	41966	112271	108232	35884	39304	198759	191190	315176	321715	84574	84894	199855	186937	239769	236328	47567	47408	222914	217087	36140	34878	205364	187909	88249	88602	180177	188666	236875	237502	237155	237767
542.1733@6.164001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13280	12331	34839	35537	1	1	90933	92903	1	1	61310	55689	1	1	40294	39635	46449	42212	14280	15965	1	1	1	1	8334	1	81843	87662	9694	10079	50657	48826	106317	100933	29987	30935
174.0526@0.8914622	14862	13314	11614	13740	11637	14717	10846	13327	7395	10182	10613	10424	10954	10376	16214	17259	12548	9317	9992	10665	16198	14551	16699	17705	11578	9239	14105	18326	16436	14671	14108	12970	9515	11816	1	11504	11349	11014	11001	12964	11492	10732	12057	9180	11660	10597	15014	10893	10792	8103	13568	17627	11068	15528	8979	10526	1	7995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	100855	104905	104517	92208	113426	112300	69727	79878	86678	90203	95348	88655	84604	81650	54674	45537	47796	50253	45697	46695	42393	42357	42159	37012	40010	42210	48535	39803	33233	30865	49739	53332	40459	38855	46899	47945	41961	40725	27002	25906	45782	46140	43763	40820	46632	44520
627.3919@13.216002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9484	1	1	39906	36685	18650	15769	1	1	18417	16065	1	1	34570	33791	9396	11035	46991	40733	9165	10751	11048	1	27217	24273	53069	53362	27589	30190	1	1	8285	1	1	1	20202	23651	11073	9868	107375	94901	7697	8764	52241	51875	30618	30108	14428	12040	18743	24695	23623	12386	17289	11119	19684	11229	17077	1	52358	50089	17134	1	1	1	17832	15903	9767	1	11865	1	13611	1	1	1	1	1	1	1	1	1	27156	1	1	9159	50539	1	1	1	25703	1	50282	71900	20653	1
> limit nullnullnull 1.0670003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24402	20135	11087	9490	20209	19008	1	1	33855	30114	26502	36779	22416	23967	40101	37314	23839	22082	20112	21465	69078	76318	30780	32560	24354	26030	81949	80831	29033	27941	13259	11164	31809	34853	24098	21270	99039	91396	9982	9774	86985	81882	107368	102939	56791	53249
120.0316@0.8519998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	464220	469349	467347	471722	416477	417632	539330	476670	528038	465589	519036	471434	469826	538017	454849	492301	483304	530268	575373	518850	438316	455617	474557	638836	460506	485418	483340	498547	505526	480774	375154	686863	623485	520527	537531	547265	397524	504200	373655	493419	295537	407199	408482	505348	363680	353123	380948	493455	587890	423926	375689	285980	354297	409226	405464	368028	464094	365928	215809	341613	327499	474394	599372	515338	447997	437080	381852	422800	451155	428228	178981	470579	431516	299788	416806	245929	226299	205240	214767	216738	413271	259892	312907	239676	397424	406197	418742	486394	345059	396004	237321	223560	308135	451055	453573	232500
603.254@8.354997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18813	27149	38308	36093	1	1	31119	31168	1	1	27968	32949	1	1	1	1	29890	29225	18764	16370	1	9453	1	1	15412	18180	45888	41567	1	1	31013	33423	96371	112362	17634	18607
583.3484@12.588998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16964	1	1	1	1	1	1	1	1	1	22930	23742	1	1	26492	30780	1	1	1	1	1	15949	33413	37694	26688	1	1	1	1	1	1	1	1	1	1	1	69863	59842	1	1	31484	27496	29087	32697	1	1	20144	21279	23712	15171	21892	13278	1	1	1	1	87446	71003	1	1	1	1	16208	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11619	1	1	1	79366	1	1	1	12715	1	41397	63834	1	1
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321.1612@6.0360007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17011	16842	1	9294	10826	9780	1	1	61764	59940	1	1	1	1	53033	53610	1	1	1	1	1	1	1	1	69991	71725	1	1	55716	54854	90980	86277	17171	18895
564.3624@12.663007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42817	83545	58224	65337	99306	88535	75756	63695	20535	19044	101623	102601	93484	92845	123578	131313	52369	55924	156112	155462	51355	41889	51088	41112	117209	87350	150101	180915	142040	123623	27272	25226	89305	73343	1	1	67658	81775	45189	51982	349769	249238	25075	1	151273	129111	154635	145133	29589	19000	70335	69371	62927	46704	39272	26231	17108	1	40343	17129	217349	216977	22682	16022	18083	15731	50666	24916	16557	20669	32688	8460	37212	1	33694	30031	16962	16442	17398	11593	26801	29555	42940	9919	25806	19364	192464	15821	1	1	51340	23398	95902	169940	47655	13966
314.8903@0.86000043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43644	47950	54154	49292	44379	45624	52155	53004	48473	45918	51209	50370	51396	50106	49445	47893	48340	51013	46978	51515	49533	49555	51292	51945	50381	50137	54372	53964	51023	48634	54689	51496	45432	48738	52377	52199	54194	55429	52592	49590	42181	39451	49703	48635	50968	50588	48075	49977	49737	48340	23492	24363	29606	26186	29553	27143	42667	39125	34773	32037	28656	31555	40971	40943	29844	34503	29540	28858	30758	28878	35076	36268	45941	45417	32850	32678	33001	36182	38797	40739	30944	28000	38402	36241	32972	28131	37123	36073	43703	43855	36023	33437	37496	41448	35866	34425
444.1431@4.584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37566	38875	8651	8269	98153	95636	1	1	37303	35437	8994	1	43236	38794	36955	37207	21663	24092	1	1	8283	7239	1	1	59567	55770	29607	27882	30124	28544	78363	80064	15987	16025
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381.1824@6.468001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8218	14468	12505	1	1	1	1	27918	30362	21040	23177	1	1	1	1	1	1	52006	57372	1	1	1	1	60232	63340	1	1	1	1	1	1	1	1	69281	68550	1	1	40564	43582	83073	86097	11702	10193
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766.391@12.113003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31370	69649	1	1	1	1	1	1	1	1	18467	27826	18522	13705	20629	9358	1	1	13695	1	99149	56922	1	1	1	1	21043	9096	1	1	13435	1	8526	1	1	1	1	1	1	1	8825	1	16590	1	1	1	95082	1	1	1	19676	1	37222	75323	10757	1
219.9321@3.3919985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28301	22843	61047	1	48976	21084	1	40135	1	76037	42041	66086	59312	34622	1	1	65208	60505	197129	122249	86432	1	50221	295700	38756	1	23270	1	1	1	1	12771	1	34238	40871	1	1	49250	83604	1	1	1	1	1	49840	36235	17586	1	94371	21886	41080	8392	1	1	1	1	1	84315	31831	33148	27174	59778	1	50375	69029	1	22886	8310	9503	1	19766	1	1	17555	1	1	1	41469	57529	6348	52804	1	1	48287	41883	21583	1	106137	1	1	1	1	1	1	1
<none> nullnullnull 0.84899926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43813	45531	50123	47021	34024	33827	51285	45419	47652	47556	43178	43762	46361	50254	47164	46420	50206	48180	46339	44162	49423	46877	47095	48873	47063	46123	49242	45323	45421	43747	48418	52814	46605	44638	50572	49447	47651	47116	45658	48914	29476	27126	51890	52101	35400	36898	46715	42156	52290	48407	21354	18437	21104	23571	18272	20272	35064	33117	24464	22317	23619	21438	32380	31041	25306	27820	17228	20059	28028	31000	16221	14559	20547	19120	21722	23958	16019	13793	18457	20873	26047	22025	21341	16083	25862	26144	17391	17179	35677	33566	18888	18807	14859	13975	22523	20044
C10 H16 N3 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21130	1	1	1	1	1	1	1	1	1	1	1	55523	1	1	1	1	1	1	1	1	15325	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13554	14395	13646	30104	1	1	1	1	59256	60824	1	1	58660	57048	1	1	87832	90176	13513	7338	18337	23485	58389	59084	29607	30177	1	1	6848	14636	1	1	106589	118375	38890	39492	39005	35605	127600	122373	36191	29297
813.5515@17.776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	251653	241416	257107	259275	252617	259206	253896	252187	241681	235410	222169	228929	215897	197029	209410	211213	223283	229522	204906	204681	218635	214697	215383	216179	197293	202677	184000	155249	177610	177937	178150	184224	179772	172291	178983	182311	164989	139897	169789	159638	152027	152298	159652	155017	145788	151140	1	168174	219825	184578	1	1	1	1	1	1	1	1	1	1	155725	167853	1	1	1	1	91953	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	152710	1	1	1	1	1	210284	102813	1	1
545.8059@0.8870005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76776	73855	98492	96846	103726	101274	113372	110876	96109	97401	98588	97123	88561	85676	66686	69404	97682	93066	70084	64255	71416	63542	103448	105428	81968	83427	117439	123947	79945	78395	122074	115820	89574	88512	114814	116427	112956	111351	91255	90344	48291	44700	81806	84510	91891	102406	74752	70845	69764	72170	41310	43858	56226	58814	51648	50738	86528	86613	52321	52346	70854	72941	56038	53001	65232	57767	72334	73044	64090	63205	53752	59834	61292	66466	75758	77629	49417	49685	94967	92398	57364	58308	72354	72359	61277	58056	57568	56932	51972	55120	61811	61969	48269	44440	49263	47621
672.5285@14.799999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18697	21607	18378	16458	14349	1	1	1	14220	1	87876	59737	1	1	1	1	20411	12671	1	1	12738	1	11338	1	1	1	9290	1	1	1	9072	1	17329	1	9186	8118	89468	1	1	1	22982	1	63535	104274	11553	1
264.1309@7.3760076	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37890	35754	27134	25888	43729	39841	29676	36940	27245	32408	27376	39250	16359	19383	30654	44651	23675	22970	37437	33721	44545	49090	48086	45385	23195	12417	11474	29913	19439	14599	27803	33261	15898	22866	16207	18660	32444	33354	22759	21786	83645	86423	20558	16681	55899	47177	24608	20229	29285	26423	12847	10369	9929	9814	22229	25515	64090	58869	37758	38544	14389	21761	64719	66232	10766	11655	25756	24640	10206	7753	40081	43572	45481	38218	27969	31990	26837	29863	9295	13138	24381	23420	27699	30339	9894	7933	42428	42702	25280	21836	16834	14803	250921	240335	24274	31584
<none> nullnullnull 0.90899974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27355	31020	43082	41280	36524	38998	42584	43451	22633	22708	26456	26301	41381	45308	29741	28073	32245	32512	28934	30690	29082	30523	29508	28371	38047	36520	28407	32954	36764	41219	27266	29669	29695	38845	33911	30514	33565	33669	36970	35879	38849	40978	23321	22916	63779	63692	38619	40147	34512	32694	13968	13357	1	1	15680	19037	1	1	34845	38410	1	1	17911	18811	7555	8148	14853	8920	1	1	27766	28838	51263	50635	1	8089	31163	29511	42797	46290	1	7293	36640	34139	14895	13338	26720	23191	1	1	24596	28468	28879	29429	26895	28916
631.481@17.505003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31298	35023	30222	29714	36134	32079	33495	31980	27200	29694	34275	32797	33153	32457	31677	32896	33070	29755	35744	33279	29924	29966	35411	33120	33993	32781	33609	33650	30847	34133	35784	32068	29248	33488	28069	28539	31332	31646	31923	31098	33137	38729	32071	34350	37142	36822	37414	37562	34676	33306	36213	38822	36541	36250	38000	36319	35500	33396	36318	34726	35506	32660	35135	41609	129656	80513	62134	57612	49557	53179	50978	50242	45466	46169	43483	47355	45658	47005	47510	47239	43501	43685	42757	41919	46223	46199	42003	46121	45395	46172	46646	48044	46482	42379	45638	46284
821.8143@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77436	76899	77687	74811	46490	49540	71321	67935	82105	84036	70790	70929	72560	68324	70493	69910	71681	71619	65921	68854	72739	73604	70757	71543	71136	68956	71899	69851	70116	71800	79350	77557	70401	70781	79970	77903	73461	72770	72279	74215	43702	41883	84897	84777	38262	39460	73341	68286	75095	83082	36582	37338	45330	42816	39462	34134	64302	61233	32669	31205	40844	39459	56994	55355	47062	45416	33166	34893	50432	48911	26607	26378	24655	23704	42959	38843	24708	23681	26444	28303	45924	41472	24660	27566	45936	47850	26988	24787	61977	62154	28490	31348	16383	22592	32511	31594
135.0545@3.0889997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70684	62371	51175	66293	57347	52543	66175	78607	55992	23874	69003	70043	48773	50005	52158	53037	116765	122632	67185	63699	44430	49610	64941	68918	73672	42827	38138	51553	64682	64071	46686	46696	63457	56357	29717	41348	44641	35313	50461	49670	32969	23156	59099	62662	97470	90345	35544	52256	65470	41665	38183	33776	25820	45636	28651	18787	33667	1	25798	50677	23659	31687	49702	51827	31588	16666	44328	34194	21631	22873	34907	61324	38825	18257	28481	32785	37859	41672	34606	33883	19814	28957	48459	24546	24174	36611	36247	38624	23077	21741	31647	40556	57594	48562	38449	35114
546.2049@6.8869996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12938	1	1	1	1	31659	27527	223252	155359	1	1	111094	117341	1	1	18030	43902	1	1	55082	81988	49464	51315	1	1	1	1	1	1	1	1	48301	142765	23475	26096	61341	35993	86343	78343	15062	38726
141.0121@0.8809994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19038	24275	19204	25186	27667	27372	25765	25192	17157	14370	22121	26854	23097	24411	24614	26166	25754	26724	27224	25629	26062	30263	29807	28064	21496	21585	27047	22980	27578	24831	20332	23827	26441	23814	19150	21472	22428	22895	27717	22401	33389	33997	18977	17026	38395	39108	29179	28940	14173	18306	54612	54984	46241	45730	49827	53541	29734	27056	70548	71597	58389	63444	60687	62723	52331	50697	67254	66493	35887	34215	86718	73578	94649	97263	60687	58339	90739	91744	94328	98799	46322	47535	97345	89840	51055	43949	76510	70899	36026	33764	86497	82177	89947	96750	83684	88240
310.2145@10.545002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29217	28845	1	1	1	1	1	1	32931	34332	15876	15457	13879	12610	20392	22260	13814	11158	45736	49859	1	1	11722	12358	29433	31129	1	1	14147	12838	1	1	15506	18446	69098	41172	1	1	38232	34311	73503	86597	14981	13287
292.1513@6.9190016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17236	1	1	1	40649	49050	1	1	1	1	1	1	1	1	17941	1	1	1	16193	1	21506	23950	14373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18629	1	1	89652	72031	1	1	71846	83234	1	1	1	1	1	1	1	1	20863	28795	1	17397	25574	22187	1	1	48642	48644	1	1	1	1	1	1	33447	30691	60337	49716	1	1	1	1	1	1	1	1	1	16685	1	1	26058	18850	1	18409	1	1	1	1	19055	18672
Dibutyl succinate	6442	1	1	1	1	1	1	1	1	8605	7953	1	1	1	7256	6740	12706	1	1	1	6666	1	1	1	1	1	12312	17440	1	1	6087	8196	9190	1	8475	11300	8025	12354	11590	10930	8132	10607	8509	7401	11996	12694	6997	7633	11470	16041	9242	7428	9297	10108	8984	11508	10696	11059	9263	8176	8392	1	1	8830	1	8532	1	1	1	1	11174	13839	12580	12730	10170	9236	11235	12418	9929	8985	1	8668	19436	1	1	1	7068	1	1	1	1	1	1	1	1	1	1	1	1	1	10595	8010	1	1	1	1	1	1	1	1	1	1	216784	1	1	1	1	1	10306	9502	1	1	9638	1	8521	1	1	9294	1	1	1	1	7585	1	10253	8589	9889	9354	1	1	1	1	7756	1	9625	9299	7414	1	9504	7563	1	1	1	12285	29266	8265	1	1	9213	10039	7525	1	9722	11116	26628	23981	23188	23425	21197	19377	14327	13353	1	1	35998	34153	24844	24073	31434	37012	25909	23483	30165	31442	63337	63926	9209	9914	26981	30495	85651	83058	9254	8863	33696	35642	11339	9315	31696	29393	43642	47784	15120	13621	70797	71942	80775	85420	21821	21882
126.0281@1.5360011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71238	1	97745	41791	66490	40921	36609	40452	38445	41923	38141	61437	31194	39387	31144	32622	35220	32222	33594	37994	41411	34695	32550	1	31777	37882	29539	34400	27329	31702	1	43291	1	1	35720	36132	1	1	58751	33175	30325	37119	1	1	26353	29072	23570	24687	31287	31632	87531	83137	77904	72694	69837	79217	80338	74931	82912	86396	89356	80996	90064	85884	47703	46786	45217	50926	50961	48257	76369	71211	70761	76822	51507	52592	60252	61341	54665	51556	50092	44611	57043	52986	49992	50598	56705	61834	47363	47921	61619	52805	57252	57201	59038	46209
208.1092@7.3443832	21194	23331	7139	10178	9571	7694	14674	1	12369	13209	15339	13085	20630	21262	24111	20404	41771	11132	14313	12053	13908	1	12099	1	1	1	1	1	1	1	21093	19775	23426	19592	12617	8756	22826	22588	10994	1	32320	23851	17890	12670	11751	10173	9352	11947	1	1	1	1	12915	8754	1	1	29472	28687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39244	42877	37379	35286	48879	33061	37603	32953	24451	20507	28546	34817	29549	26791	27729	28574	24176	25356	43244	32453	50776	55526	51051	53037	21710	20919	17539	19611	18925	19050	40712	45337	21428	22810	15138	14141	37230	35836	24824	27486	92177	80310	22281	24948	51758	50831	21403	22978	25049	22114	1	1	1	1	17713	18908	10685	11147	13885	16886	1	1	20689	14753	1	1	1	1	1	1	1	10063	29292	31161	12462	8537	1	1	9441	1	1	1	14833	15859	1	1	8245	1	8793	1	1	1	1	1	8105	8268
1343.0349@0.87000036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	66650	67454	78468	74259	35768	39546	61674	64038	87900	87041	62514	65212	66716	67022	61047	59889	63018	66037	57373	60454	63282	63276	68862	66681	60132	65077	63181	62205	67126	65875	79214	78873	73864	69883	92650	92981	67957	67061	78526	82854	31582	32709	85251	89232	27468	27342	62787	62264	84359	88282	37649	34984	45273	42012	31818	33862	84522	82764	24813	24334	43752	46867	71889	66011	49851	49842	36901	36316	53038	52502	28985	30594	17393	17926	45041	43570	27831	28195	24491	24519	48488	49283	23656	25058	46293	46419	30708	29178	99422	101106	30955	34207	23684	23770	25598	25911
224.1045@7.7599406	43450	43347	49612	41815	38864	48516	52317	49104	46161	41804	48489	42803	40514	35752	34122	34726	55309	39881	42444	38434	45116	42308	49716	48001	54946	57871	56749	50100	52968	57538	51996	49187	53146	51422	57818	58239	54126	51067	56615	55738	54638	52043	57538	49812	48443	54566	52552	53213	55365	63692	74804	67565	71038	72356	70624	75956	63558	59268	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37207	34548	43307	39281	37657	34935	32486	37692	37951	39330	35838	47121	35661	39322	39429	1	39720	39035	39611	42484	36977	42096	43178	37978	35676	40923	41273	42993	36333	46471	41355	36737	43290	48899	41351	44939	45537	46220	44413	44261	58534	47506	41776	44228	1	47684	36454	45865	36616	33652	53648	52307	52337	55382	46777	47089	44283	55343	54126	47417	55645	45380	70583	83938	66992	72587	66521	70639	74389	70534	78990	73868	62589	67600	82760	57184	72411	70455	62230	71490	75213	65143	72162	75231	71201	64833	70247	71224	76478	70860	66115	72853	68757	67443	65097	76111
249.1046@6.459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21510	24872	29798	29991	32727	37554	44414	42194	73797	71967	142469	142738	12290	8980	270199	49769	1	1	191002	185254	1	1	152628	144206	153682	161333	17138	11534	9380	1	1	10669	1	1	298495	282040	75955	79477	118074	113608	302285	311484	69862	79392
333.1252@5.704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36631	33412	29819	30722	14063	14482	12249	12383	15648	16135	62200	58609	1	1	21295	19771	63843	63409	1	1	9627	9987	1	1	8869	1	84835	81734	1	1	53609	49424	94005	99714	14285	13516
525.307@11.725004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11638	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23290	19681	1	1	1	1	1	1	1	1	24601	21672	22207	19698	43202	26277	22051	15063	23485	11816	78233	61922	17710	9863	1	1	26325	18037	9486	10909	15734	1	23435	9666	10642	1	12868	10639	10266	8861	12815	11553	21930	1	1	1	106405	15249	15541	9376	23954	15537	55450	100677	25717	13227
595.3501@12.4509945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14925	15785	1	31715	26148	19714	1	1	1	22991	31098	25034	17407	51125	38484	10821	14828	39413	61425	1	1	15273	1	30318	37101	47521	61814	25312	31412	1	1	19839	17505	1	1	20270	23509	15373	13549	70860	55231	1	1	46674	46780	51288	36934	1	1	16365	22490	21900	10885	58161	39971	29981	16108	15271	1	38331	49080	11656	1	1	1	7994	1	1	1	9197	1	9958	1	1	1	1	1	1	1	1	1	11982	1	1	1	65261	1	13080	1	10481	1	48180	62493	1	1
295.1449@5.2799993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13013	16048	12799	12316	9132	10750	9223	10704	57469	56114	1	1	7078	6736	77833	73668	1	1	7063	1	8264	1	1	1	61279	62890	1	1	52221	52660	84435	79084	13231	17799
361.2293@10.407997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25269	19749	53955	49713	127550	117619	41636	91758	1	1	37540	30431	86372	71934	24289	24241	29443	29110	1	1	125632	112253	1	1	32756	11579	166345	157087	17232	20337	23824	10745	25099	24506	18716	21235	325225	151396	15612	14858	150340	126748	260981	349559	83942	71370
276.0724@3.2949991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37587	41025	8066	1	1	1	7423	1	13741	13008	1	1	45278	44976	39956	37303	1	1	53787	57223	84207	87515	1	1	49000	51975	7556	1	28783	32355	1	1	21456	21734	82581	84218	40952	36348
Mucronine B	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41261	37275	1	1	1	1	1	1	1	1	1	1	10788	9566	48497	44107	1	1	9731	11633	76603	74559	1	1	24906	20669	1	1	6741	1	1	1	10478	10511	23971	28270	22183	20184
<none> nullnullnull 0.8820009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53395	54995	74322	78367	82978	80759	89624	88781	72647	71872	79292	77929	73561	71581	53600	52300	75437	78415	49851	55320	56315	60109	85436	75947	58755	64265	89383	88693	60402	61511	98665	96425	73926	68887	88468	81450	90216	88267	67119	77006	41453	39173	62689	67467	78971	80329	57731	58429	63837	65294	32717	34120	41181	38013	33900	32122	64088	64123	40612	37358	52389	52126	51179	51393	45568	46497	50747	51654	40096	50195	42012	38099	51780	54705	54828	50405	36407	38076	74573	78798	47874	36166	53783	49728	41479	42362	44457	43569	54226	48684	44100	40891	34879	35758	35256	39495
588.38@13.216002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33484	33453	16977	15749	1	1	14662	13397	7749	1	29624	30173	8149	8111	34539	35279	7845	9318	7974	1	18660	20791	38120	42870	24215	24246	1	1	1	1	1	1	15260	21012	10361	7348	88688	73053	1	1	40254	41324	24791	24423	11096	10510	14618	17852	22000	14130	21852	11015	11018	1	9697	1	76855	38404	10322	1	1	1	13785	9493	1	1	8954	1	9139	1	1	1	1	1	1	1	1	1	13145	1	1	1	82036	1	1	1	16145	1	41666	72801	11939	1
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314.899@0.85700005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38286	42180	45867	42966	37296	41910	47609	45008	42484	39262	44243	43961	45743	45351	44022	43560	41356	44103	43407	46139	44827	45632	46226	45444	45761	44423	47866	47386	43779	43288	46951	45304	38832	43470	45335	43768	47608	48658	44390	43949	38437	37090	44462	41599	47087	45895	44812	45516	43536	42371	20531	21506	24317	22434	24651	22578	35496	33331	31594	30175	24767	25485	37317	36633	24629	27946	25286	25457	23468	23490	32582	34071	42228	43057	26818	27241	31210	33648	36531	38311	25387	23424	34119	32293	26499	24340	34036	31672	38690	39741	32655	29929	35687	39186	33063	31703
C9 H8 N4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61125	58373	1	1	69871	74742	72798	1	57938	1	86910	85799	88213	93424	85299	85795	83082	77700	103795	109480	92660	86094	81464	1	86857	86334	1	87428	88761	91941	54658	58124	73714	1	49436	49627	1	83388	68828	69608	1	83634	44721	1	81473	69823	78298	81429	50185	1	10787	9558	10702	12964	1	7964	1	1	15471	12942	9670	11190	17867	18408	9264	1	9780	8989	8437	9841	24083	21914	13767	17211	11452	13348	48449	46103	21694	19001	11519	10114	15275	16299	9097	7716	18268	18598	1	1	18348	20101	35389	32585	22694	19326
541.338@11.620986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103841	137401	46322	46644	65824	65122	40890	42783	56159	54282	66565	72000	54317	56750	97872	103261	68487	72368	97098	92357	170437	164126	76890	64563	79892	81464	88139	101680	81226	77454	53483	55474	66957	68061	56968	53784	53605	68536	69207	65437	191749	167295	50665	50950	73217	72721	83073	83356	99295	102020	189243	180127	164528	133467	209006	123945	120532	78714	162448	88874	694416	509880	80736	56803	63423	58173	245317	155382	74131	69890	115333	55760	180272	97362	93052	77814	102567	91040	85274	59860	84618	78940	177660	67669	73139	69686	681535	75687	65744	44095	182613	88461	448977	717937	125159	78818
1-Methyladenine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7385	1	1	10025	10012	1	1	1	1	12059	15049	1	1	1	1	1	1	1	1	1	1	6993	9561	1	1	9830	9656	1	1	11836	12086	12402	11982	11384	13292	10143	8703	25541	29317	24252	21015	26086	23908	17313	17409	21453	18250	14109	15130	57110	57513	36390	39366	22661	21644	62702	61968	44161	41785	13136	13608	36336	34060	14578	12035	47568	46305	16929	17135	45885	46119	88449	79658	37578	40761
C30 H53 N O7 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56613	52018	19011	20160	1	1	1	8549	16207	13925	57904	56372	20516	21145	78267	80591	36884	35006	39348	38545	67879	67368	24001	26013	71306	68986	24614	23583	46851	44223	64794	65599	16374	14166	23599	27262	85640	79762	1	1	45598	46042	57740	59456	34663	30109
C6 H9 N O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68450	67598	65929	71231	64987	66176	85226	86996	39379	40695	86353	89376	65772	72163	85382	76762	77832	74565	85124	86412	82713	85026	80905	79108	83543	90533	90632	96582	83227	80222	67182	69293	68348	70722	49267	62672	78040	80899	60373	56764	64081	57756	51824	48665	95382	81680	85817	91069	51143	51823	20877	22578	24545	24710	22386	24836	32773	30427	36541	41107	24804	28477	39523	43710	23629	21629	28386	25978	17466	22520	34613	34123	70937	70443	28702	25959	32951	31446	58787	54364	27122	26514	45229	50393	16179	21045	33943	32750	37347	40051	31888	35171	30403	27475	45237	41567
C3 H2 N4 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34078	38736	24634	20037	35509	37377	35525	25749	26239	21378	44012	47682	39237	30171	30264	35045	40406	38413	44371	32590	41197	41572	30065	27713	54837	51119	46757	48172	44129	40321	34079	26326	27805	32239	37407	30694	31968	32097	36754	47062	23769	26199	25684	19012	49922	34790	46692	50607	29098	22722	1	8151	8266	10535	18954	19530	19599	14322	9676	9598	11450	13321	8601	9241	7654	8940	14437	14078	8729	13218	11530	10396	21816	17857	12812	7360	7952	9977	21592	13148	8993	14940	16352	15926	13456	9292	13674	12440	15897	13089	7865	10616	10140	10200	12895	12723
169.0738@1.0200003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32623	31213	1	1	1	1	1	1	1	1	15553	13995	1	1	37339	36556	34285	34989	16960	19483	7850	7745	74227	78343	28100	28000	9894	9185	69066	65060	27636	24945	23056	25819	23753	25841	40335	39941	1	1	35408	37401	29157	26305	1	1
1519.7408@0.8349993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42029	47652	46535	46936	36343	40799	41644	1	58738	1	40115	43392	45373	43424	1	40664	45567	42541	34555	36505	39835	39211	43441	37051	38284	36663	42449	35714	40797	43386	44877	44271	45673	49794	49081	46087	43543	39558	45226	1	29768	30226	47875	49221	29147	29022	37272	37591	43855	46058	44430	45761	50289	49086	45022	39773	69912	69403	27302	27499	46451	51878	50086	53883	59383	55837	48361	44497	66931	70019	1	31420	21455	1	51831	55070	27015	1	18509	26378	57132	57403	24603	25121	58867	55097	29752	25657	76938	76217	34534	37423	26064	19839	30450	32241
226.0823@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12488	17236	16226	1	24391	22252	1	1	1	1	1	1	16460	25028	1	1	1	1	1	1	16248	16010	1	14509	1	1	1	1	1	1	1	1	1	1	24808	24787	1	1	19079	12927	12992	21234	1	1	30286	27276	1	1	22099	22981	83037	78276	76591	73723	77062	80430	32584	28637	58901	66399	99863	102330	70703	68982	80801	77850	119273	122779	62558	63686	129604	129631	74728	134580	89424	91008	143797	140475	151961	147194	81158	83887	129836	125672	88907	84616	114139	116019	49687	52415	116313	121715	152517	157159	109382	67318
633.364@12.716002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27443	1	1	1	1	1	1	1	1	1	1	1	1	58288	42206	1	1	22331	24958	1	20489	1	1	27295	25717	27187	21558	32354	16830	1	1	13752	1	92445	94420	13417	1	1	1	17814	15236	1	1	14550	1	12289	1	1	1	1	1	1	1	1	12508	18549	1	1	1	103397	1	1	1	21223	1	60145	103792	15243	1
Argentine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14906	11291	21819	18182	29313	28940	27958	27729	11815	19044	23287	26435	25587	24210	22106	20807	17119	13085	40124	40165	31932	26628	27018	22091	29565	33965	26351	24464	25166	24068	15840	18394	24125	22120	16781	19139	20167	18751	13460	16855	41093	38596	13725	13690	51648	63010	36637	36160	15726	11872	59142	61478	18599	18241	24503	24402	13740	16268	22728	20494	44389	43010	41805	40154	46746	44164	114532	116820	59130	56628	54908	59314	46286	47514	65092	70361	54234	58183	29466	33008	36903	37556	20856	18304	20230	20453	137054	147518	10368	1	123284	132413	81196	81858	28010	27886
2-Methyleneglutarate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76988	74327	46516	62556	77190	38159	61697	71970	45585	51427	71011	65708	69547	78516	68235	73528	62672	69685	60067	61337	76701	85211	63170	76960	67312	73879	60961	74013	66649	74632	68151	64289	57047	54999	49876	61164	61318	90028	67594	75437	83510	117608	54045	56630	81701	97879	65341	56062	50400	62308	25040	15489	11122	13387	24235	19363	14885	13725	32745	31870	11781	13998	25743	25198	20087	16551	15297	17086	1	1	24172	29334	46099	47028	13980	18195	26816	22234	25256	30746	16903	12295	26621	24377	1	1	19332	21164	15470	14762	17857	19638	17538	18504	26547	24809
125.9975@0.89762396	367731	384435	373633	384928	339063	343068	337210	330420	336240	320028	316512	331118	355007	365269	338186	358784	372737	379359	352946	360300	235231	237662	500163	511127	350422	357568	414714	401731	358250	359197	182660	189881	154422	149560	148288	144541	115262	111299	97133	94502	221276	208539	125298	128800	179878	182459	156214	161870	122686	130213	49670	53593	133451	128029	38073	41410	393723	376976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140483	135848	110488	101480	184441	185879	118303	123571	97203	97988	113363	116538	126627	124979	147395	146270	109311	117444	141016	147621	148103	140319	126797	128755	122563	126641	123373	115573	134857	132829	90971	93466	107244	105882	87816	81012	127877	123677	102241	108937	191308	202510	85977	86303	123579	116168	155708	162856	115431	112628	92039	106474	85592	92835	150281	142788	72511	66417	151219	170140	122696	115218	160379	167944	110177	101168	127061	123342	58829	68918	205430	196901	158324	161185	91043	98141	173891	171048	154605	146872	90568	113691	145643	143217	92051	96932	190547	206154	93030	111895	197790	175611	199949	198532	180139	171884
122.95@0.855128	117199	117995	123046	119389	130673	124101	107069	111288	112605	109948	120272	120738	125461	127268	115653	110385	128209	122487	119945	121071	123425	119928	101728	98252	106607	114131	125488	128599	111290	111730	122506	123829	115688	108365	107213	107761	116709	111919	109961	105062	115390	112689	121112	121764	134957	132328	122321	122686	134706	137770	71585	67561	109691	106827	123278	126474	105154	113282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137135	136955	134512	144523	112898	114468	140256	139230	149925	149488	148492	143282	139830	138777	146505	144119	140745	147964	151883	149082	148596	149486	148827	157242	142696	143668	142240	139923	149174	153098	152378	149770	138136	146037	148794	150560	142171	147212	144074	146030	114335	118466	153504	154039	103672	109825	159912	152797	156925	150381	77298	73039	81897	84791	79721	76231	93723	96057	80432	80113	87870	78955	103103	102871	90028	88477	66637	75470	87347	88131	70180	67293	78557	71461	79912	79888	71176	65897	78549	81616	91022	87659	76164	73621	87381	89398	68418	65775	110826	108912	79810	72100	59913	59541	83459	75361
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C9 H11 N O6 S	17182	20810	17605	15366	14629	13534	19300	21769	14056	13937	19661	19263	19385	19487	9070	11669	15090	16565	16329	15526	11952	12952	18515	19111	15204	17093	21131	20331	20873	24073	33939	32982	37736	43437	67685	74264	17427	19472	20343	19470	33948	34852	28231	31272	28851	30931	44270	46038	22526	22863	11988	12867	88969	87032	10628	9109	56409	59862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16077	14067	30799	29284	11844	13665	9248	9968	14220	13781	29873	30806	37081	37005	28532	27168	54213	57084	17549	14990	77689	73000	27863	28749	43848	43705	50250	53367	29793	29943	31350	27619	24695	25969	26856	23871	33081	34975	19520	20424	34907	39620	52302	50224	20441	20117
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Ethionine nullnullnull 3.6499982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9769	11736	1	1	1	1	1	1	10930	1	1	1	1	1	1	1	1	1	13791	14222	14268	10331	20795	19908	1	1	1	1	1	1	10323	1	1	1	32689	31220	1	1	1	1	1	14833	1	1	1343565	1358362	751222	757782	210578	200892	92999	85689	30980	32944	4439207	4384713	1358715	1401550	1572375	1574741	836350	823525	3561285	3540432	1304022	1302424	18002	22931	4111535	4100109	1684782	1663537	23544	22487	1588662	1579756	55384	55969	1141503	1123088	1737722	1746345	309744	299927	1824902	1840745	1835339	1780413	132134	136744
561.8039@0.8548716	84610	74868	78709	85764	86294	83181	81675	79884	82443	87105	84640	84710	79160	91217	74763	71989	78712	81417	77990	79143	85313	79148	78737	75638	78014	82796	76019	76983	75294	78560	129173	127264	136660	128425	130117	128556	130945	130725	115828	115678	129103	130066	119922	122539	122400	122436	115068	119922	132054	134062	67215	67754	122243	119546	149318	144914	130953	137965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58390	55238	64089	56798	47526	50619	56924	60238	59289	56883	54640	58706	59826	61088	60825	53651	60396	61175	57003	54568	56355	57135	63835	67509	62980	64402	61990	61485	54764	58747	63486	64244	56196	60484	66881	68107	66174	65701	59611	64096	39646	39370	63853	56205	48085	49151	62520	58444	62391	66583	26730	25197	31196	29598	26737	25622	51976	47669	27903	29851	33522	33185	44019	46496	32688	31884	30308	32739	30450	31855	31816	34335	27185	27970	32787	36500	28421	30572	34032	34057	35222	31656	29748	27657	36885	34329	35067	30009	56187	57281	32680	32787	29364	29866	32057	30004
527.3013@11.351003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14491	15979	19397	14873	1	1	1	1	13548	7632	58368	43868	1	1	7396	1	24154	16891	7357	8715	11230	1	1	1	9553	8618	9547	6974	1	1	10901	7352	14191	1	11743	10281	58951	7534	1	1	19779	10018	48655	80664	13275	8564
278.1291@4.369444	147412	148947	56714	57075	31427	31968	54830	55792	53329	53363	37878	40711	45277	44331	40572	43660	74092	81866	38623	40805	71890	75415	64471	63094	60238	65440	152074	155920	191141	203665	8845	8541	10790	12448	13899	14607	8558	7131	26620	23412	8633	8916	1	8522	13354	15203	1	9166	10212	1	1	1	21405	22467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45927	58988	45301	54374	72998	71379	56778	44240	43521	58514	48760	43024	36242	36757	49690	53798	46749	41110	42141	45086	61249	58457	50040	53288	54377	45645	44187	43118	59056	41371	44835	50948	41446	36254	45057	41103	43496	46282	47149	54474	74914	72583	35325	51234	52245	63690	30025	31815	38642	58461	41520	39938	27980	17249	20742	21581	22823	22011	20952	22797	18520	14207	19252	26014	42547	43939	50264	53927	73189	72636	1	17282	24096	19732	13098	13057	13611	18070	12357	15972	18920	20836	13995	12451	70802	65291	17068	17869	13354	19314	13741	8918	1	1	14997	16043
730.6762@14.025999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6721	14180	1	1	10363	11845	1	8970	1	1	1	8121	1	9145	10066	16604	1	1	12561	9568	13565	9345	1	12258	1	9341	8286	9284	10026	10852	8747	8371	11159	1	1	1	9704	10785	8368	12819	15931	13595	11147	1	12612	11619	1	11367	11236	1	13586	35012	37068	27016	31719	39437	62007	18316	13100	32779	26642	1	1	17155	13525	11706	16120	20953	16886	18398	14897	50606	17968	14921	17367	15902	18031	17099	18687	27514	16213	44822	13588	17826	16760	16510	73018	20252	14805	18764	14903	16825	22501	1	1	13908
484.1933@5.9530015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12065	15402	23928	23699	1	1	1	1	100682	95315	1	1	73284	71251	1	1	49519	46391	1	1	29888	29352	40416	35590	17742	19056	1	1	11346	13662	1	1	68590	72486	76736	78438	31346	28976	90101	90036	26666	26197
540.2241@6.125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44501	30409	1	1	69133	66181	1	1	20294	17363	1	1	24656	20304	16870	13487	1	1	1	1	1	1	1	1	34320	28924	12689	10983	17407	14847	38204	45653	1	1
702.6015@13.379015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15342	22797	26786	15700	17733	19231	18918	19724	14738	17315	21091	23428	17821	19501	23343	26377	20037	17945	24049	35637	23391	18011	20003	15667	20762	19508	22675	48287	40784	27924	19013	14547	19048	16775	14227	13291	18924	20936	18020	17814	29801	140184	106261	15247	23800	29370	27190	31009	22352	16683	99388	319170	351283	151661	281655	519057	270227	148537	95453	94447	51327	1	1	111229	28419	26375	36830	35355	28825	26179	29341	24453	32129	27824	27598	28132	28600	25017	27807	27946	32966	23798	32666	28259	29069	24857	40096	28086	30537	30636	33057	30533	37425	42992	18259	26483
180.0286@1.1569995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35108	31727	57887	57733	42156	37303	70822	64028	18229	15800	45871	43841	49667	42993	59504	56217	51529	48500	58977	60674	27520	26731	28458	27677	50359	46920	70759	68826	47774	47387	28139	25603	42032	40231	25257	26879	73217	76067	21447	25570	51145	47942	33803	38550	71810	76150	71115	76202	23640	23633	1	1	1	1	16417	12138	10954	9935	9368	9288	7080	7040	30169	22847	9723	14906	38389	37273	1	1	48546	7812	15637	14354	34364	34033	10375	9480	12340	12901	1	9610	8698	7457	1	1	51731	46701	17719	19646	7446	32964	49362	10627	6031	7150
C11 H13 N O9	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21444	20696	13883	13885	17031	17437	17537	20385	14888	16570	18289	19114	19142	20873	18735	17331	21732	20272	21021	22049	28082	22806	20572	25123	16074	16105	23737	22374	18457	17298	19126	20855	16321	16058	21702	20886	20866	22463	25528	23382	14424	15985	18331	17483	28214	28403	15982	17852	19021	17005	27856	25926	27385	28123	26791	25767	22031	20967	51867	50932	34940	31256	59651	58306	26733	25030	32459	32255	22896	24743	50540	47495	64497	68377	35194	34206	50079	48827	64291	66103	27759	27874	53730	58179	33922	35018	41260	37197	31647	30763	42758	42293	49087	48398	48154	52629
702.3611@11.918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13954	1	1	1	1	1	1	13177	15269	1	1	1	1	25321	21790	1	1	1	1	14851	1	23102	21768	1	14921	1	1	1	1	1	1	1	1	1	1	42065	25201	1	1	23568	21711	19557	17806	1	1	19218	16503	17245	12711	30281	14021	1	1	1	1	83990	76540	1	1	1	1	16418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8701	1	1	1	78519	1	1	1	13155	1	38404	60315	1	1
344.1466@4.5060024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	119806	154136	109099	76454	161821	94297	88718	267037	72149	54641	46691	91058	153703	68680	107802	114290	111723	45654	125911	165133	198045	78248	77888	53467	100586	179861	158414	72352	142152	156155	48890	106394	137273	86013	90207	95540	76617	126159	100550	84555	124253	56103	85489	95641	63860	96787	61071	215454	74201	154904	46685	63240	45834	58014	90254	81057	91634	102701	85252	88764	41947	49559	54810	26448	1	1	1	1	1	1	56637	1	104233	189824	1	44449	40739	22029	43616	82047	32318	1	70942	77598	1	1	99866	55523	44766	65298	37228	35989	1	1	44045	17788
360.893@0.87300056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64394	61791	58788	61510	59057	64897	65889	70128	43363	47427	70406	70488	72607	71524	74302	73888	66062	68086	79241	83376	76530	72155	67423	67140	74358	76415	70279	73177	67034	69659	60886	57756	65350	62392	49342	48778	69865	68099	59343	58926	65522	64876	50635	51726	70738	68051	81906	76465	56575	52789	32367	26783	30723	28808	30000	33211	22776	25179	47261	46272	33467	31383	43219	42833	29470	29802	35870	35064	25429	22766	44646	44358	53909	57768	32948	31836	45404	46098	53931	54974	29833	25305	51642	53562	26685	31576	46296	44735	26594	31022	45337	45641	44815	49662	50146	49908
256.1676@8.974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26467	26602	29318	34500	29979	28977	1	1	1	1	44502	46714	48349	46175	39720	41209	38032	27199	50758	44708	51409	52507	1	1	36549	38056	66546	66498	1	1	41704	39624	1	1	31205	33183	70485	38583	1	1	59865	106206	72069	71307	23714	24238
547.7926@0.8860009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34453	42790	46647	52611	52530	49759	57313	50557	45272	46994	48143	52064	40867	43424	33395	32754	54014	47094	38014	31602	36304	32455	47808	52843	40857	40895	58298	58443	36230	40087	63362	60017	45300	46727	59578	54475	57287	52493	47774	46847	24818	23398	40435	42646	46594	51084	35369	36798	34341	37168	19212	20027	27101	26411	21599	24715	38487	41210	27755	25677	33909	34738	26307	28111	32028	28442	34539	34668	30270	28767	26997	25193	30275	32047	34543	36056	20901	22241	44267	50023	29233	26288	33014	35503	29512	30077	27734	27314	25845	27216	28714	28698	21295	18975	19370	23439
586.3648@12.765	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8636	7401	1	1	8019	7625	1	1	1	1	1	1	8644	10183	1	1	1	1	1	1	1	1	6162	1	1	1	22918	14976	1	1	1	10069	1	1	1	1	1	9117	13689	14224	1	1	1	1	1	1	154887	104529	1	1	1	1	8969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136115	1	1	1	7118	1	16627	118252	1	1
373.1376@5.618253	1	1	12125	1	1	1	1	1	13817	15384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15066	13312	13210	15303	34177	32241	50620	48164	28858	29528	39389	38491	45399	44829	43155	44369	30888	27327	38868	36924	65490	62810	1	1	1	1	35773	32836	1	1	43305	43102	13905	16842	1	1	33519	30858	1	1	1	1	14368	13173	71534	67332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32529	32183	13038	12304	1	1	1	1	13842	12909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12020	1	1	1	1	1	1	1	1	1	1	1	71339	71203	29110	31392	22372	20347	106917	114159	72521	70238	142283	139847	17215	16523	52742	53989	1	1	140697	140437	35477	32125	36598	37181	38123	38308	48609	49707	29660	26514	39538	38562	17186	17163	79196	73485	1	1	58732	56463	131227	126951	59248	57855
Cascarillin nullnullnull 6.682999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7995	1	1	1	1	8166	9999	8837	7738	16839	9767	8817	14654	17928	11652	11055	14484	12425	9268	9884	36923	35045	15928	34664	12693	9546	38252	38226	12485	16416	1	1	9144	10063	7379	7709	38610	43019	1	8562	37141	37551	56995	58533	9791	11901
492.1601@5.681	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11193	27669	30266	1	1	67350	68775	1	1	31915	33845	1	1	47384	39205	28859	27316	1	1	1	1	1	1	1	1	36968	44283	20274	16259	27904	25664	51302	50548	9669	8698
633.8255@0.8427547	135171	126876	131929	135911	121521	123220	148439	129147	130861	130323	118489	114902	134455	131579	117125	122330	128343	132371	127821	124283	112670	115230	118603	133193	124215	128143	127736	132649	128200	137826	41289	40651	50376	43064	39600	37626	40993	45171	55119	43652	44554	49673	36608	35692	43606	46597	57133	50044	33580	37012	24803	25134	64006	60209	33243	29135	53187	58935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41581	47215	45413	43451	47096	47310	55077	52624	34530	35333	55536	52881	49158	50124	56796	54351	47263	41439	57705	54516	52707	56656	50969	52107	52487	49941	58650	52405	49457	46016	43259	44310	47998	47418	36788	36945	51601	50236	37632	42624	52819	48702	28784	37500	57701	57679	56992	53876	36207	29938	35815	34583	33796	35910	35022	36794	21060	22693	52373	52294	35829	35491	39061	44719	36509	36903	37082	37014	30033	29459	43994	44444	58395	59476	38384	38057	46439	45240	55571	55627	37318	34813	49940	48684	33546	34625	42831	39713	30589	26911	45266	47458	44063	42702	49110	46177
389.2596@11.441996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16766	15892	54030	45317	211874	149717	52160	45104	1	1	93568	75155	58244	49330	1	1	43604	28501	1	1	59423	33122	1	1	10746	11170	74148	62831	1	1	12123	10004	12855	1	9696	9276	376269	50838	19277	13621	111073	58325	283907	465688	49160	32984
131.974@0.7897543	42690	35628	41797	38799	42434	36309	35993	31986	47924	47645	44950	43130	42381	43035	25952	26396	46191	45821	39057	36132	32128	32702	28163	25462	33951	36132	26080	34769	25961	27262	48890	44361	50643	46868	46346	42446	44435	46425	40349	40283	45104	43382	36945	36005	29218	27041	32701	33489	32466	36685	20161	20450	37884	38171	51714	51189	47063	52423	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67482	65038	64647	74299	66320	65751	71327	68867	59438	60217	21359	56353	56822	61404	51294	50744	60790	61123	50174	50826	51280	54324	58406	61786	54300	54493	61234	59684	52679	48135	63765	63775	52306	55705	66570	64147	58116	63667	57482	54392	43384	44084	51357	51787	56063	55590	30572	49150	48008	46271	32718	27892	29787	32431	34184	31348	39285	42050	32604	29567	30820	32362	29065	31410	25482	29097	30337	25505	25061	24870	27365	26477	27193	29694	30396	26441	24972	23749	35328	38079	26783	23874	28004	28451	29958	27500	30219	27017	22917	22222	26529	27213	23770	25347	21587	22134
333.0475@0.9319994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20369	20988	27825	24826	28653	26680	32038	31712	21069	21311	20749	20447	21918	21413	11555	12508	24591	27353	11484	12260	13494	12779	27180	29763	19671	21347	31489	33889	14740	14889	39032	35598	21363	23860	36212	37871	30795	30739	24029	22186	35371	7527	17034	19492	28586	28812	14155	12755	14773	16487	9612	7858	8547	9542	7772	7748	18255	17406	9274	9355	12828	12177	7477	8378	10468	10297	10110	12377	10424	11356	10400	12083	10239	11151	14290	14788	6548	7095	18318	18440	10261	8814	14013	12314	10200	9900	11904	10856	7873	7900	10418	9305	1	1	8963	6695
423.3368@12.144801	1	11493	1	8460	1	1	9616	1	9725	9229	1	1	10823	9707	11424	9209	21445	9174	11735	1	1	1	1	1	1	1	1	1	1	1	1	6742	1	1	8910	1	9908	8811	1	1	12306	1	1	1	1	1	1	8416	1	1	8758	10137	1	1	10897	1	9883	8443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7359	1	1	6887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52142	66133	56585	53987	54785	47352	43217	47214	81843	66551	74798	72346	48398	61116	57993	49500	48315	63204	55291	47195	51231	60838	48542	50699	63282	50094	44698	52014	62978	58453	55435	48179	51048	53238	56590	55975	57314	50786	48849	52654	60154	52337	54103	54779	58850	50806
117.9673@1.5110008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11397	10645	1	1	1	1	1	1	28341	32695	40675	42005	34902	35290	39477	31573	30189	31546	46916	44423	35712	38438	41163	43420	40707	39196	29768	31736	42197	39641	42332	42059	41291	37564	1	40126	44737	47388	33896	35948	40375	40547	31159	32225	49228	49658	31379	34233	45626	45902	48123	42311	38360	42027
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559.8199@0.8529997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48939	44283	53740	52400	39454	37836	51266	53300	54030	55552	47757	47347	50272	52117	46419	48455	50824	48584	48104	44376	48502	46612	55598	52097	51879	48670	52369	51998	47729	47433	53554	56854	51636	49819	60162	58091	54412	53944	52315	54749	37912	33580	57970	53521	39614	37488	47350	49499	55873	56785	27985	25766	27716	30342	23180	26887	44845	45510	30043	29196	32661	30536	45292	41173	32823	32041	29369	27823	33086	33615	28953	32228	34802	35334	31184	32668	30767	30777	32944	32822	33062	30753	29408	32050	31802	34376	31100	30204	54614	51509	28239	30482	28276	30512	32106	32430
488.3111@12.478965	73759	85521	8699	15546	17688	16362	22360	14573	34972	21467	19084	33825	59527	26484	44494	16655	202436	47433	29790	13953	105105	105276	17752	13741	1	1	1	1	16645	22796	25610	48248	25948	23369	22689	15529	42636	26594	47869	52025	32863	30178	30316	15899	28203	24153	38915	21113	44870	30760	1	1	74613	14431	31649	43175	14465	10767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9970	11754	1	1	1	1	1	1	1	1	1	1	1	1	34885	30736	1	1	27464	24125	1	1	65195	58411	1	1	22425	36385	56366	63477	55250	50639	1	1	24776	25299	23375	21708	1	1	1	1	38946	44418	1	1	51267	26687	10995	38229	90195	59239	18538	26774	18658	1	70151	57271	23036	24754	42373	57119	12155	8265	21803	14135	19478	9464	28114	18721	13262	20915	16306	11675	55080	11748	20145	14096	18276	20311	18186	27249	33023	21604	74735	28426	17478	38188	30051	66129	17882	25473
679.3648@11.997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32665	1	1	1	1	1	1	1	1	25600	1	1	1	66386	1	1	1	31398	1	1	1	1	1	53003	1	55965	1	25367	1	1	1	1	1	1	1	1	52379	1	62478	40924	1	1	1	1	1	1	1	1	1	1	1	1	21436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	113663	1	1	1	1	1	80446	139924	1	1
409.2138@7.412001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8066	8578	15750	18667	1	1	1	1	23766	24492	18600	16471	1	1	1	1	1	1	47852	44219	1	13902	1	1	44907	41506	1	1	1	1	1	1	1	1	52337	51867	1	1	32392	31490	62676	65879	10529	12810
C10 H4 Cl2 N4 O2 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43739	41946	51883	56290	47851	50370	60419	58529	48227	49882	52475	48190	48909	47778	41675	43527	53561	55998	43434	44051	43035	44226	55180	53514	48892	53268	60525	60892	47069	49738	55538	59970	53450	45804	52598	56459	59338	55028	45912	48470	30975	30998	45447	50962	43717	46385	46034	46237	51733	43930	21007	23902	26544	30581	22473	23507	35087	35133	26071	24410	27950	30156	32349	35513	29212	29822	30147	29009	26898	30020	25692	27504	35179	36385	30216	30261	26162	21147	45997	45947	27401	30508	34202	29658	29336	29312	30262	29012	32106	34434	29081	29986	15694	20684	25628	27857
403.2015@10.079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20266	19177	1	8370	1	1	1	1	11902	11836	1	1	1	1	1	1	21234	21247	1	1	1	1	36980	35868	1	1	1	1	1	1	1	1	52194	25252	1	1	34087	26714	40926	56774	12565	12380
534.6979@0.8759996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39673	41313	45409	41788	33796	32932	48238	48732	35941	34964	44170	41528	45911	39920	46310	44450	45567	43645	43290	44944	40203	41707	46518	44625	47499	45386	51766	48253	44608	41888	44653	44587	41966	42411	42388	39404	49050	49017	41401	42435	28908	26138	38255	37141	33679	33879	50854	47202	41311	40331	14111	12975	13613	14239	12831	11420	18868	18388	16325	15846	14797	16171	27488	26580	13694	13437	16609	16474	12554	12843	18283	19473	17877	17493	18100	13914	14777	15852	18736	21711	12946	14606	16682	18329	13583	13571	21026	21158	23933	23388	18264	17649	17168	18105	20046	16806
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544.2492@6.6699986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13176	13182	21285	17630	1	1	39247	36676	1	1	35236	36564	1	1	27168	17481	31888	28271	1	1	1	1	1	1	1	1	51020	52624	11118	10051	21778	17375	60691	59852	12170	12224
224.1401@7.710999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34905	36791	58030	39216	64777	92114	30857	1	1	1	1	30311	24283	1	1	1	1	1	35836	28426	36797	38732	35515	41134	1	1	1	1	1	1	23863	1	1	1	1	1	1	1	1	1	144621	53306	35566	1	47734	65595	1	1	18897	1	1	24106	35716	1	36189	76383	52850	35360	33122	32455	51028	56446	49018	103513	1	34366	1	1	1	1	21676	1	70302	44890	50798	37348	1	1	1	1	35534	35927	23485	33554	1	1	38361	1	23922	1	1	1	1	22520	1	1
558.3764@13.584	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11115	18708	15350	12383	15881	1	8337	1	1	1	96659	70411	11825	1	1	1	12870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9154	12547	1	1	1	51581	1	1	1	13639	1	32971	68184	1	1
C23 H34 N13 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10710	9823	1	1	14048	13486	16135	15231	56247	57296	1	1	34340	33326	1	1	1	1	1	1	38564	38252	86505	84602	1	1	38578	36452	52242	50459	1	1	70580	67104	15174	16552	25715	28227	1	1	38279	38146	36381	34020	56091	57136
354.1591@9.343001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28797	28900	35420	38673	1	1	8424	13579	20898	18334	1	1	15607	11642	1	1	58276	55863	1	1	10066	10241	32922	34299	1	1	1	8922	1	1	10214	10301	12064	12941	1	1	20183	19681	17337	18680	1	1
506.098@3.935999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11530	12942	14368	13925	11941	11176	57294	57636	7164	6872	20341	19214	1	1	32853	34231	18917	18777	8479	8302	8857	8510	1	1	8001	1	28562	30519	18813	16292	17809	18370	35552	35730	9024	8698
667.4042@12.187993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26168	36571	53074	49273	31196	30207	19256	55567	1	1	62467	58165	65823	45716	80487	78206	44090	45106	95583	91433	40906	43688	31608	34090	60515	36911	51257	51123	42285	41738	1	1	34568	25937	1	1	56660	58685	29979	26317	71485	54704	15950	23386	39853	44655	43481	52634	39528	20320	20487	27239	25702	13499	10842	12973	13932	12804	20266	1	92314	72567	21769	1	1	1	13112	1	1	1	15843	1	18406	1	1	1	1	1	1	1	1	1	22475	1	1	1	92409	1	1	1	21963	1	39302	71188	17438	1
L-Histidine nullnullnull 1.019637	246373	260122	336013	350334	229335	215088	334201	333341	294374	315871	225348	229606	264462	256960	266234	248935	296704	283775	277474	260677	184694	195152	353808	371920	273110	302071	253116	256708	346465	360117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22081	22423	25217	22371	25238	28082	53837	53704	15862	17464	83670	85015	20887	23049	103581	98037	25873	23238	73268	83521	35144	28935	29262	29621	66210	75311	69059	72389	89828	66301	26387	23076	27170	23395	20675	21055	61703	96556	23101	27818	33289	31427	19750	22467	45871	45692	69559	70587	28126	24996	130881	121637	184404	188239	36063	33611	24178	20951	39124	39122	73743	71527	54759	57162	368965	364367	178496	173368	158891	160015	135970	121638	63557	67842	230469	228275	181410	179038	50029	48271	33526	33401	47182	41800	30535	31561	131793	134596	17887	18008	103290	109640	185816	189941	47472	47710
C16 H16 N9 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17735	14176	10941	12769	17716	18154	9974	10145	20758	19306	15765	14827	26509	29972	14336	14845	15726	17299	11143	10941	42068	40696	30171	32326	15685	15349	35032	37119	31937	35313	17085	16204	29224	25878	15922	16145	35037	35540	12170	11199	36065	38280	58464	55205	33948	30445
532.1132@4.5849996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20083	20318	1	1	62983	66580	1	1	16499	15865	1	1	29609	31207	17500	14740	9296	8347	1	1	1	1	1	1	24661	27299	22088	22540	14863	15332	34250	31392	8198	1
590.3959@13.770997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8579	8638	1	1	1	1	1	1	8048	8911	1	1	1	1	1	1	1	1	1	1	1	1	23301	18753	1	1	1	1	1	1	1	1	10483	8812	13552	10036	13970	1	8469	1	9029	1	42387	28349	1	1	1	1	9937	1	1	1	1	1	8081	1	1	1	1	1	1	1	1	1	13739	1	1	1	50538	1	1	1	12996	1	31927	62574	10089	1
369.2501@14.025006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11500	9603	1	1	7220	12509	1	10156	10724	1	1	1	11732	1	1	1	1	1	1	1	1	1	1	15056	10525	1	1	1	1	1	1	1	1	1	1	1	1	1	11111	1	8950	12603	1	1	1	1	1	1	1	1	34899	29193	33081	22359	38250	23095	30815	32242	20273	33932	41564	41445	14686	16942	27583	28528	44179	36984	28214	28231	26066	20807	32104	39208	25511	28555	30663	27613	24476	28481	35325	26835	43644	29720	39524	37494	65395	28247	25419	21483	36675	24978	31537	56244	19598	26403
200.0323@1.5449986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75954	74023	41095	56633	91436	89933	60279	66577	49151	52255	85074	82565	47760	47419	69678	52232	59621	45921	128108	91366	144737	128684	61644	60840	51889	16967	17641	42986	61139	87941	49700	58189	49535	53520	57407	72752	42943	50148	22635	98066	67571	29180	42201	37788	23999	85900	65703	67529	48465	61601	81878	83237	77758	70951	182137	190033	121676	128812	219821	215633	79043	71765	129896	121464	59153	61108	89968	87771	54432	56551	153392	150573	297066	300523	75033	77204	256469	289698	192297	185027	66761	70322	175977	179846	59282	66001	132725	135795	109346	115159	116872	121985	185939	210639	196930	194243
183.0019@1.274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8563	10081	1	1	1	1	1	1	1	1	16984	19009	7911	1	10839	14148	9966	8863	1	1	70323	73250	1	1	7103	9845	34823	34757	1	1	1	1	1	1	9363	7277	39917	39859	1	1	52029	52757	59838	69704	11599	9867
287.9771@0.903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20754	24096	14588	14745	22652	26884	27975	22413	7005	8468	17965	20134	19210	12569	33027	29539	18198	21515	36130	53573	24884	23590	24999	27366	24530	33792	36152	24657	25516	22724	13749	13130	18432	13975	10582	9726	23889	25160	11635	11830	64330	60685	10959	11274	70997	68650	31756	36344	10543	10549	1	1	1	6746	6331	1	1	1	18704	22529	1	1	13833	12031	6873	1	7667	7658	1	1	13686	12384	52868	60612	1	1	15858	36196	37978	27798	1	1	32365	33998	1	1	12127	22835	11932	11503	18658	13580	41625	28080	20351	28048
1343.6771@0.8759996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47083	45647	44455	45258	47904	52298	58378	57227	29278	31049	57349	51658	54700	54535	59946	57575	51232	47536	59691	56611	55887	52837	55196	54912	52572	55953	58370	60027	52341	54842	46090	49093	45773	44223	33993	33161	59407	57460	40083	39420	54225	53264	30583	35183	68943	69509	59085	63942	36551	37233	15051	15178	13657	11234	19239	18953	17841	18598	33383	30707	17263	18740	30108	30038	15599	16716	21429	18824	13420	13682	34434	36757	42977	47322	18809	17952	30639	33472	38330	40320	18074	14702	34956	37273	15243	16640	33818	34455	21630	20631	33827	30303	37373	37483	35618	35501
C10 H16 N4 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7718	8376	1	1	9705	7347	1	6228	26112	24564	1	1	1	1	1	1	49231	47678	12975	11242	1	1	24736	23596	14323	11981	1	1	12608	12216	1	1	45953	45202	6399	7014	26125	29775	58333	61749	22457	21071
267.1136@4.097	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8754	9109	8469	1	1	1	1	1	1	1	34370	35373	20892	23700	15652	15194	17176	19220	17797	18292	49583	45418	1	1	24338	22804	45986	38585	1	1	7477	7279	1	1	10000	9505	54824	58597	1	8706	44367	43271	63476	63354	10434	10877
291.1746@10.6690035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10011	1	19703	17251	1	1	1	1	1	1	51599	53102	14789	15182	23524	24293	60367	55637	15384	17854	13068	13694	1	1	30563	33991	8389	9425	1	1	19973	23071	1	1	22255	23070	16489	9295	9852	10845	13017	11803	39518	42104	1	1
306.1837@9.78	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16568	17924	1	1	1	1	1	1	20449	16877	13029	14345	11903	13047	28207	23043	16882	14865	38251	34157	1	1	22179	17517	31589	29234	1	1	11676	13465	1	1	13889	14674	38852	28237	1	1	36722	35915	53212	56599	9968	9274
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C6 H5 N O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10990	11274	10291	9351	9429	9027	12329	10151	10833	6330	12800	12964	11147	10678	13038	11926	12099	11253	22087	16731	71565	16367	11906	11314	12083	14381	12948	12776	11596	12530	11137	42380	9777	1	36734	39018	12980	12277	42658	48090	12826	8902	30921	31739	48190	17197	13418	12882	42148	39281	1	1	11353	1	8029	13758	1	1	22624	18802	18077	16025	10046	11483	10492	10837	11228	11646	1	1	18214	18492	13225	11054	18603	17537	25031	22403	10095	11410	9926	9891	7278	8544	9023	8574	14981	15573	7909	9820	17313	18811	27841	27442	8460	6349
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Zidovudine nullnullnull 1.0099994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9422	1	1	1	1	1	1	1	1	1	1	7960	1	1	12729	11054	13310	9308	1	1	1	1	1	1	8808	8081	1	1	1	1	1	1	1	1	1	1	16480	14356	1	1	1	1	1	1	1	1	35495	29792	28969	32435	14173	14707	10581	9582	42730	47824	36264	34425	22944	22339	26074	28832	30984	30962	19075	17658	44518	42839	64936	59356	36863	36380	53735	52875	59551	56367	28494	29489	72210	71616	33868	29609	41317	46581	20540	23932	44240	45729	53648	56124	61811	64510
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492.7102@0.8759996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13221	13464	13488	14427	12423	13905	15292	14837	7929	8904	17759	15453	14881	17620	16283	18793	15471	14047	17020	16536	16028	15167	13588	17121	16928	14482	18138	19779	14569	14719	12391	12326	11185	12684	10718	10434	15701	18427	12910	13072	16038	15616	8382	8903	18151	21388	17766	16408	10417	6860	1	1	1	1	1	1	1	1	10271	11332	1	6532	8500	10563	1	1	8941	7397	1	1	12909	13153	15925	14780	1	1	13542	12341	15579	15554	1	1	12157	13724	1	1	12148	11844	1	1	12477	10027	16367	16630	13901	11017
C7 H N3 O4	74029	73581	55330	55921	35956	39223	64047	65790	59532	54972	51167	45868	39841	42939	42540	38314	60830	63567	46920	45421	57569	54739	49418	47673	53060	52723	69201	67716	66372	70061	13078	13636	9530	1	1	1	1	1	16535	17815	1	1	1	1	7116	1	9850	8153	1	1	1	1	16420	18079	1	1	9764	8733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16234	16888	24325	22160	13243	12817	19600	19469	15281	12739	23865	25357	23900	24256	22079	18931	20336	22232	30382	31341	18625	20664	20903	20738	19907	21825	29230	29735	26535	24135	17183	16542	21835	24098	11405	12565	16464	17979	12162	12881	28302	29481	12234	13360	27262	26342	9725	11006	17656	17057	31485	32262	26357	25045	23543	23216	16141	16870	18054	18225	23869	25762	28864	26803	46073	40918	35368	32144	26135	26899	39430	41268	21169	17754	21980	23149	49502	51843	21550	22574	34124	31685	20851	22308	33548	33200	37442	34840	10868	12200	31089	29611	59787	58240	33817	31312
447.9074@0.8209994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35145	35440	42758	36643	34105	36819	38447	38184	36490	34198	31168	33431	32517	36674	29837	31559	37184	37640	29025	33427	33435	35250	38358	39152	35487	35873	37586	38364	30512	29835	42198	43262	32674	35873	41938	42030	43586	43063	36830	35871	26228	24109	33729	30942	33290	35781	23929	30210	32690	33228	18217	14533	17248	17935	15938	17236	24519	21316	14983	15806	17232	18135	16856	16279	16540	18857	18345	16919	17044	18732	15675	18844	13563	16068	18942	18102	13094	14844	19123	17647	15662	18144	14216	17260	18221	17477	17226	17950	18090	16590	16160	17541	14246	11904	14875	15158
494.3686@14.022994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21279	22509	32394	20790	26116	20547	25256	24916	18401	19620	42216	28846	29402	35927	47516	55591	18376	16951	26881	27558	20101	17979	33182	29926	31615	27871	17742	43164	24185	17478	13322	20134	14703	25624	24393	15104	16964	17422	26596	29917	58864	34651	16617	39154	27221	17160	46629	33031	16674	13319	78438	85890	89571	103303	94261	188761	54371	40462	28440	32913	38033	294663	171119	314783	63778	17287	30264	33957	66751	24597	92851	31724	32464	47683	53399	27643	81695	27217	23925	22943	82747	43386	16436	115474	87486	31887	129670	181398	42088	137546	57355	27452	65233	49754	408072	83139
429.863@0.8642077	147377	152047	167320	161564	125099	127712	167814	167687	155466	156918	136152	129280	143305	148421	125851	127556	155485	164519	146359	144156	115707	117942	162804	156917	140746	142745	146240	138648	146331	159369	50427	57858	61217	57723	55679	58279	51776	51538	52842	58859	55031	64334	47350	57256	45234	46182	59465	58923	45109	50852	27732	31301	60335	58973	51820	57892	69403	73296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25944	27448	32887	29631	29437	29563	27430	29038	30866	35376	29096	30015	22560	24398	17201	20299	33018	28992	20976	26030	23652	18679	31085	32737	24048	24783	33002	32615	27490	22715	28881	32737	26987	25306	31677	35776	30381	32312	31903	30826	16335	18330	29037	24903	23177	21029	25160	25737	24660	25642	15619	14032	22239	17412	18680	18173	30430	30437	18213	18537	27865	26032	20077	18409	24840	21265	22051	22071	25346	24616	14411	19046	17423	14597	24855	22914	13282	19323	22773	22376	19817	19783	22453	22064	23075	19564	15604	18974	21935	18886	19285	19952	14356	16836	17026	21258
635.348@12.128999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32007	24452	1	1	1	1	1	1	1	1	1	10765	21580	1	1	1	1	1	10585	1	43437	36929	1	1	1	1	8393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10561	1	1	1	50876	1	1	1	11332	1	21856	39505	9584	1
215.0433@0.8929999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	530329	608819	545360	548162	467616	446825	259706	263942	333557	340897	182250	191614	1130972	1188210	283380	323649	319873	317161	334746	334134	521854	549738	563450	586027	439554	420521	246450	239756	282990	281360	392457	396560	231742	235146	746413	816299	294405	295198	633594	658423	643715	659951	585870	589183	639356	644600	211609	198897	880321	904307	1427784	1371188	1597895	1564362	2149415	2172324	862365	825367	2904047	2884250	2041132	2060721	2806603	2753808	2333623	2223838	2343954	2284411	1690554	1721532	3010335	2932139	2916226	2889954	1914782	1926826	3479224	3416499	2665699	2688244	2263960	2229874	2824686	2707149	2309229	2279820	2724934	2580128	1715573	1700417	2701066	2738797	3599881	3820338	3303180	3246319
242.0589@3.9359992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10084	7472	1	1	1	1	1	1	14640	15007	15865	17279	11077	11930	54980	58304	1	6995	20127	27005	1	1	37559	36544	22283	24902	9675	12174	9136	9633	1	1	9661	8720	33618	38564	18782	17935	23626	22145	44696	44240	12584	11229
217.9314@1.155999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	99698	79830	39747	35949	32082	53574	1	32649	1	39606	30609	31342	54768	44991	35690	34360	48486	74343	1	38686	109853	100805	67608	125918	39894	38875	33646	36589	46220	49675	1	1	1	57812	46899	82116	43803	41878	63700	52427	89960	37166	1	1	48540	45804	37455	39393	67359	77772	78016	65647	123041	1	117287	125517	125430	120064	106237	85405	49611	57356	1	53069	108975	1	1	1	75044	62298	56669	126374	1	77428	1	1	68978	75202	139094	78456	1	133082	85704	85677	123425	121070	63511	88512	108511	230178	115071	100833	61503	73771	105347	68285
278.024@0.93800086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48740	48241	54080	49090	51975	51693	53429	51422	50221	50771	50261	49391	52718	47706	50882	48621	50158	49751	50842	48770	50506	49158	54477	50742	51400	47331	53434	49279	47926	50709	48793	53978	51261	53809	52339	50578	51389	53533	52575	51005	45229	47546	54095	51376	52211	53763	48950	50840	51932	50570	35534	40028	43132	41302	35267	38794	45934	44317	34220	38264	41727	45476	38738	42449	48898	43172	43606	42993	43649	46032	41173	39234	43754	43197	46785	47198	31788	35602	44580	42861	45664	45928	47276	44376	48123	44769	43273	39583	37498	41400	42251	41108	31680	30784	43130	39388
553.8987@0.8370003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27475	26609	32352	28198	36735	40230	25103	29375	25229	24591	26359	24337	28124	30775	28964	28659	26399	27798	25626	25568	20740	21047	20808	25245	32111	33391	19180	21231	35197	27924	22061	26514	23019	29509	26106	24360	27221	30618	21641	23422	30255	32195	25235	23768	36598	36685	29655	22891	20760	22092	23661	25443	24978	25983	21090	21142	26913	27200	14128	17676	26261	26018	27926	32141	30175	29211	25403	25625	28547	29676	19989	21193	10743	12276	29603	25068	17512	18303	15842	13363	29735	26046	14543	14627	26962	31349	16072	19836	27485	27498	22956	22341	16008	13238	17404	17682
Pyrroline hydroxycarboxylic acid nullnullnull 0.90200037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90696	85130	115114	114947	64128	64835	92879	91912	48892	50416	120197	119787	97383	98280	155571	148911	109371	104869	167933	170967	125676	128820	103385	103765	138177	144370	137070	143732	147242	145688	67080	70568	123158	133508	45496	52376	121018	115272	69662	72355	121975	123890	61973	59739	159718	156563	168513	163887	66983	73568	49432	93231	88681	46189	55774	51929	32228	64613	113531	115468	137499	47915	101625	88183	40853	59424	58545	51631	38288	40663	326314	314264	162537	167583	45435	51112	415257	407364	172761	162517	98922	44781	146413	135708	55282	54514	307012	311665	41372	69383	260447	256239	435965	454032	164752	162118
466.316@13.204807	43144	27076	26372	12665	22203	10046	33344	1	16787	20975	12344	20946	28374	9963	15153	10148	53627	12650	15701	1	9846	20830	1	1	32106	70064	15828	1	39538	1	36649	65947	38583	17275	30163	183119	21126	39570	39007	46509	12278	42269	42749	44672	16460	25489	32989	25162	24239	1	1	1	35319	43991	1	1	34368	23873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10788	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17710	15583	1	1	1	6617	1	1	1	1	12990	10065	14790	13164	35733	22260	18173	26823	14549	12174	39567	29938	12468	1	11137	1	18596	15426	13988	9873	24996	1	13544	11960	11083	1	10372	11604	16557	12144	9042	1	17427	1	7091	1	59972	12222	9747	10501	22464	12323	39870	57535	17730	10052
701.8149@0.8427547	146948	137226	128496	142017	137331	128082	146579	143373	128587	133379	129426	126437	134036	143217	126415	118218	139332	136097	139168	146330	124565	129261	149882	144034	127392	134624	146395	144958	141442	142413	63587	66384	67879	66463	57260	62630	64153	61069	69347	69836	63399	65557	58834	59564	67521	61544	71481	77352	54930	52439	41612	40810	76556	82174	45564	48355	78803	77136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45047	44142	39720	36766	42261	41229	43427	41278	26875	32368	49134	43210	46741	37153	47009	47980	42508	38193	48281	47573	48067	49584	47701	45643	49589	47201	49395	51505	40794	45900	34426	40037	41542	39625	26524	32741	41889	42087	39802	32050	46865	47689	27492	26808	51598	48869	47773	48531	32213	36816	32578	30802	32389	32452	34863	33376	18988	22616	45576	48308	31623	31080	40849	40955	37714	34264	35184	32335	28302	28673	37862	39018	52549	53090	35171	32386	43015	39114	43555	49695	26886	26194	43183	45107	34849	33874	37065	33499	25584	24423	41950	41782	38108	38182	44309	36757
508.3037@12.626604	30036	29114	1	1	7833	6969	8291	1	7581	6218	7863	12990	15623	13587	11353	1	26990	9889	1	1	18446	22835	1	1	1	1	1	1	1	1	12723	11139	15066	12381	18500	10594	15336	15018	32432	28124	20813	20685	20030	17873	12741	6818	33538	22436	31126	24314	1	1	42320	19615	19831	12025	13799	8617	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7841	8090	1	1	13029	14682	1	1	9266	9124	56014	50493	37891	34520	1	1	9756	8842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18264	17131	1	1	6670	9623	9162	7694	15652	10960	8348	10005	7492	7455	14395	8901	7690	1	10771	7147	12173	15537	8042	8561	11176	10329	14726	7552	13713	10478	8066	8233	7618	14171	7541	1
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1167.7299@0.8310006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32664	35926	38160	34330	32064	32549	36584	38134	35033	28248	27709	32967	36915	33887	27090	24807	31871	39323	26159	26874	26536	31468	1	36040	34904	31626	34511	33443	28090	29147	40328	41029	27999	31797	43140	1	43365	36886	30244	35350	27752	21290	35781	24088	30898	35648	20073	27001	29156	34665	14069	17180	21733	17662	19434	18229	23994	28584	16312	15110	17405	19127	19591	24313	19937	1	18786	18922	16507	19000	23317	22842	18592	19248	18545	22147	16630	22222	20289	23151	18964	15857	22820	20342	20584	20336	26052	21860	14895	1	19748	20240	19258	18718	16490	19823
254.0191@1.3030005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27003	27899	19106	23350	24462	25685	19343	22120	32770	31770	16626	19468	43733	42577	20150	20781	27076	27648	26807	30313	43947	43564	31984	30902	28804	25962	57640	63994	36813	36670	27173	27643	34049	36771	26721	24395	35950	35008	27412	24265	37915	37162	50741	56086	45849	49670
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141.0149@0.8809994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23005	24044	22251	26436	28702	27491	24885	23329	19108	22060	24689	20612	24414	27042	27078	28981	24475	26997	30568	30896	29826	24319	30127	32549	21339	17457	17862	23191	29207	19452	24027	26917	18899	26649	21820	16523	19551	26106	22326	24861	35083	32041	21640	24684	39739	41547	28193	31628	19788	19559	62509	62927	54320	52849	53162	81841	32843	29719	73670	76580	65449	72367	61123	83143	62155	58551	75808	76281	42924	43756	110116	102758	121481	130039	71559	66927	116041	114159	111158	116003	55270	58151	116196	106034	59659	53455	89361	70690	40840	35394	109062	84813	107250	113512	85795	86073
384.134@8.326001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9676	11624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25341	27965	1	1	1	1	1	1	30028	25942	8608	7456	1	1	7496	1	1	1	1	1	7919	1	1	1	10609	11313	1	1	1	1	1	1	1	1
1415.7141@0.8370003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25718	20873	22088	23485	29583	29999	26428	1	19782	16656	24881	23669	25796	24293	27905	22325	23659	25225	27846	26331	25418	25152	25469	22589	27064	25398	28643	26121	21378	25139	23121	20352	24473	20432	20541	16656	25434	23736	20669	20405	35709	33400	17053	19269	38901	43488	25816	25228	18446	17039	32110	28302	27462	30358	32448	32252	18121	16095	45421	41358	30535	29175	28430	26647	31444	28276	36659	36640	25486	24101	51847	47980	53755	54079	35238	35354	52291	49193	50001	51448	30240	26547	53200	47262	26656	29430	49730	47992	18621	18325	42096	45740	58491	53047	49091	46111
588.3663@14.022002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27343	1	1	1	1	1	19465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17910	1	1	1	26419	1	1	1	53412	1	65158	1	73459	1	38728	1	55753	1	72318	61154	1	1	1	1	48203	42954	1	1	1	1	1	1	41345	1	1	1	1	35799	38552	45063	1	1	1	40515	72836	48518	1	1	39968	1	32053	59547	54046	41832
259.0462@5.083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7453	7497	1	1	1	7300	1	1	1	1	1	1	1	1	11120	12149	1	1	11179	10098	1	1	24453	27070	1	1	1	1	1	1	30106	35055	13788	14194	1	1	15270	14740	7375	7314	1	1	8751	8984	1	1	14699	16146	7134	1	8785	8149	1	1	7942	1
407.842@0.8860009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37084	40388	40702	41009	36858	38510	44309	38896	41487	42450	42552	41119	36208	39133	25346	26842	43556	47776	28693	29609	52753	51087	52328	52456	32969	33016	37991	41130	26161	32567	49300	53223	38658	35664	46027	43544	38407	40424	39869	44399	28344	27648	41464	39591	37238	44130	27188	30355	42116	43580	17544	16561	18407	18377	16730	18397	30832	29274	21204	23661	20286	23439	22710	21260	23952	25237	23635	23353	20314	20989	18799	21906	26781	25767	23775	22726	16202	18354	31324	30497	26033	20858	21554	23523	22940	23472	27670	20364	26271	23583	22154	23990	15831	19731	18863	21763
507.8235@0.858001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53506	56221	55098	53427	46069	47058	60646	56756	52456	50758	57412	55395	56187	54244	53240	56734	55669	59216	57796	56866	61754	59957	61653	60183	57854	57025	61929	60974	53085	52090	60737	61807	53284	51219	54100	48705	61295	57010	52620	54100	43195	44035	50100	53276	52259	55282	57951	59646	53254	52423	22602	23063	26881	24481	24644	24257	33452	32612	30071	29943	28430	24336	35609	38110	28459	27119	25458	27882	25445	25547	31691	33057	31960	34863	28753	27622	29341	30715	35643	35285	29915	29547	31444	34193	27349	30376	30671	32598	36704	40059	30960	34457	30149	34476	32581	33532
393.917@0.8410004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46940	46428	47306	49312	36761	35977	50845	46818	50990	47126	39454	42272	43920	45576	40259	39103	43346	43874	39415	43803	44050	47839	45209	50286	43385	46384	45929	44377	45720	44887	43487	44238	45306	39238	50993	46360	49065	43959	44013	45741	29924	32143	47616	48124	32304	31802	32072	41593	44695	50537	23517	24211	33896	27507	25707	25212	40453	37355	24283	24930	27039	32702	39835	36849	28508	29377	24145	25376	31633	23322	22214	26418	24229	25584	28947	26560	22574	25935	32274	28933	33148	26152	22220	23138	28133	29802	24203	27544	35407	36647	23075	25424	22978	21852	24787	23578
226.084@0.91799945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32128	32798	27958	24282	31230	29838	18297	19212	21777	22038	18097	21163	40378	33802	24033	22698	16402	21934	24530	23971	29772	30839	23167	23463	25444	24210	14489	14604	21094	22550	20944	20854	20411	20979	31633	30209	18887	16282	27673	27336	34735	34716	25761	24471	31875	30506	23546	21842	31199	32728	99464	93660	95870	89001	94175	94568	52997	47117	43278	135731	111114	112174	86077	85105	44745	104849	27130	135651	86184	29853	65580	144584	150197	148305	108962	109228	160625	61715	156903	77254	102788	38713	141842	136822	108732	104514	128975	128323	86671	87993	129668	127888	167949	168923	127575	129108
483.8236@0.8550005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46739	53660	56980	58095	35998	36392	54914	53562	51096	58140	49800	55106	53235	47102	47081	50916	50945	54356	45883	49155	46644	50788	55187	58021	48209	51486	57637	53621	55407	51761	62210	56576	53259	54082	58637	65577	56507	56712	57102	54318	38955	37580	57539	58131	37578	38285	49374	52005	64300	61135	22835	26399	27215	29727	24532	24544	47733	49606	27705	26160	27190	28996	44495	45746	34984	27539	26388	33012	33484	30515	32803	34540	30874	32433	31505	32937	30308	31239	33549	33232	30769	30666	30977	27533	32951	31241	34640	31347	49053	57785	28961	30370	30704	32579	32657	33328
221.0376@0.9319994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	179563	180314	208155	201725	214385	205503	223740	225954	179762	188222	183574	196303	185973	186560	154286	145733	207301	213146	143564	152898	174229	179894	217151	223218	194345	191740	229761	229453	169855	163155	236762	230939	186441	188758	248572	253038	243719	237608	208576	206329	124752	117632	184259	183779	238190	241939	169993	162192	184182	187833	138207	136272	142803	140175	133394	131869	180727	176280	152418	158507	159742	161401	130371	128429	156666	145755	158904	155731	141592	149043	172158	169779	180743	180244	167818	175350	139890	138817	213138	221803	147393	147045	185766	181502	152677	153414	165550	171027	117384	122571	158072	164898	135406	140371	146490	138399
1535.7119@0.8370003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32286	34443	37737	29528	34844	34104	34109	37818	37311	31389	36161	33714	34893	35810	33731	35536	35511	35442	34794	35488	37954	38096	34489	30955	33649	35274	36678	35342	38037	32331	38088	35291	33805	32603	36274	34026	36399	35370	36786	35510	32221	31765	36733	34793	30627	33055	35102	29525	34877	31372	41755	39685	39529	38669	38893	38641	37432	40464	31149	32204	43110	40635	41849	43686	46765	44863	46685	43512	39452	44115	39100	38923	29218	30802	47903	45278	38086	36923	35919	35704	45291	42818	40033	32210	45724	49956	40771	37968	42784	42770	41733	43223	37325	39603	40977	39662
1133.7991@0.8349993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28273	26625	32109	31099	21088	24478	26704	24160	34076	36724	24536	25406	26004	25489	24957	23080	26589	27621	21564	23288	25462	23739	28052	26329	29017	22338	23465	24339	24131	25124	31221	29205	29690	30306	31858	32433	25148	25752	31311	28717	15296	15769	31601	30549	17667	16395	24180	21513	28500	30084	25262	22867	31203	28872	22506	26229	48951	40500	14089	13409	32656	31766	29815	31414	34746	32294	26664	29727	41361	41477	16889	14368	12029	8945	29841	28884	14936	15020	11281	12869	35952	32646	12007	13934	31821	35584	16154	17272	51160	47842	18071	19170	12265	12307	18274	13939
C9 H12 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54177	41405	62858	26594	44607	49700	22361	92727	1	47998	12487	1	38694	1	1	11713	35487	1	22777	26441	48311	38138	23032	1	1	18652	10949	34631	13300	25232	22997	1	1	10390	1	1	20085	53846	20032	19626	45906	66160	1	1	19932	17015	107071	28722	78593	60999	57182	52435	92199	92746	202983	218591	50538	50675	17246	13934	296941	295607	312764	309678	167563	159089	82909	83363	109488	111770	1707019	1689788	29081	22068	89568	97905	1734750	1694911	59141	64767	93964	94366	64405	61805	82347	80209	14839	2443344	27493	30802	1119910	1125934	2574240	2580281	493644	483972
152.0473@4.585999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12197	10950	11195	11803	23460	20656	8650	8935	1	1	10045	1	17003	23227	13467	14593	9990	9182	11124	8404	27023	27115	1	1	8441	7166	55689	51872	1	1	14140	18677	1	1	14016	19963	26107	24728	1	1	21559	26917	48279	47967	11205	12232
136.0179@0.9121311	329357	334595	280109	292773	283782	287750	296638	295747	298106	293755	278398	288429	319995	317725	340006	347930	296399	295137	284182	280006	295950	292463	327807	350092	226413	237066	300578	298754	316845	339298	222912	232388	221498	72046	211034	221247	228678	232624	269425	256055	255089	250892	214115	230928	251647	238994	264343	264909	65293	64719	61022	64431	285698	296325	14870	68783	279820	289853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48140	45195	49815	54643	48533	54961	53865	58643	52003	48574	49856	51454	48011	51103	44236	43667	48566	54406	43977	42644	48853	44934	50882	59150	49474	52969	55707	58166	43707	47953	61509	61389	49778	52566	62091	51907	48248	53106	50589	54076	37699	37390	49856	54238	52739	55907	40577	47413	46642	50177	37009	40598	34176	37021	37129	39209	43766	47008	29953	31948	45447	42247	39217	37531	46555	46113	44797	40118	48470	46371	40952	37493	40947	46507	49292	50106	38316	39662	63768	60509	41153	42638	37838	45270	43545	40598	42915	41632	37280	43550	41074	41774	34200	37652	40626	41625
573.3241@12.652001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40059	41042	11834	15330	12080	11396	1	13726	9557	1	18917	16452	8552	8292	16497	18745	11998	10480	11463	9573	14334	13530	23016	25685	14897	17413	10339	10615	21115	24601	23475	15684	15288	15289	11504	9686	65531	62957	12618	11754	20333	25351	12155	12542	21260	21136	1	1	1	1	1	1	1	1	1	1	45237	14433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25624	1	1	1	1	1	1	13995	1	1
Terbinafine metabolite glucuronide	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7330	6515	8372	7379	1	1	1	1	1	1	47691	49146	18326	16088	8272	8267	20629	19624	1	1	16710	17510	6807	8074	24528	24464	16933	14841	12369	12110	1	1	16394	15898	1	5640	44429	26480	1	6130	22744	21235	24169	33427	10334	9998
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294.1841@11.163754	1	1	10007	1	10356	1	5287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9042	1	1	1	1	1	1	11696	14837	11070	1	9828	6991	11072	18729	1	1	8129	8360	14380	18308	13406	10523	9590	7587	95177	91710	14380	6158	1	1	9957	11830	10180	9592	7827	1	10203	10478	1	1	6847	1	7226	1	9749	1	9838	1	1	1	1	1	1	1	1	1	11446	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9915	1	9267	8702	1	1	15603	7236	8218	6542	12153	8232	1	1	57878	1	7734	1	1	1	1	8232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9732	8188	1	1	1	6626	1	1	1	1	1	6922	10266	11150	1	14415	1	1	9555	1	1	1	31447	26613	1	10582	1	1	11961	1	11473	10102	18737	15884	21011	7559	7289	9059	10685	1	22591	14291	9649	8876	7931	9554	10492	11682	6079	13058	13671	10682	9804	1	11225	11041	11592	6804	8982	9889	6682	6280	12653	1	1	8199	19430	7550	12326	13007	9311	7537	13243	15547	13186	9530
C9 H10 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9298	9086	1	1	8683	9282	1	1	8664	9679	1	10469	9286	8478	1	1	1	1	1	1	1	1	10712	10254	1	1	1	1	1	1	10004	8625	1	1	8457	9183	1	1	1	1	1	1	11996	10313	11281	8742	1	1	7173	13216	15548	11692	8447	8224	1	1	11430	10911	19693	18675	10992	11951	15843	18084	11296	9926	13509	12887	33763	11851	15660	16240	8701	18084	40014	40663	14197	9515	12866	17627	9095	16731	19223	8520	36984	37052	1	1	32226	28491	41038	45337	11286	20284
764.5846@14.025725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25795	9818	1	150742	18610	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18586	1	1	1	29880	1	1	1	1	1	1	1	49643	11042	1	13249	39006	30022	74774	7767	10006	11254	10783	8097	230244	10751	27326	108231	10594	23826	1	1	246736	225817	1	1	69405	1	9233	13236	64404	146476	12185	155851	1	1	279322	1	1	1	1	1	61109	1	192091	20774	1	1	54863	1	313998	76897	12760	1	59910	203306	54885	40939	19355	77478	50966	338783	167047	11045	107226	74980	16242	610664	1	1	1	1	132008	67817	1	1	1	1	1	1	1	1	1	460510	1	13811	77552	1	20901	1	421085	15227	1	21358	1	1	103782	170397	298985	50749
329.8844@0.84899926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37742	30869	36775	31143	20643	26626	33655	35456	30528	26546	33891	28730	29598	33930	30823	29088	29930	33303	36158	35763	35057	34907	36171	35703	34915	41160	34180	28306	29446	40107	32055	33683	33719	27575	28522	23054	32472	33268	30739	28465	24247	24646	34376	29138	22616	21712	33560	39106	29760	28828	15716	11332	15674	18244	13313	12145	15952	14008	14889	20143	13460	17187	21796	19299	16880	14409	15925	12350	15555	17235	14118	15803	22553	15862	13731	20001	14017	20380	16486	24096	13766	17935	13295	13784	18181	12970	12816	12794	15103	15446	16902	13906	15056	17183	25792	14534
807.6334@14.025013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	203495	26929	10149	20255	9765	314644	11058	9484	54129	16752	8754	9722	10532	34862	325834	250023	10011	17140	32336	135682	6990	109885	7650	7290	14784	112744	11165	49917	335589	300867	28554	6813	8998	45066	7429	36741	27017	1	17668	12003	138361	11839	1	75833	117800	35942	7648	14011	14037	12704	290419	17354	29466	26804	15447	29597	20606	16257	12339	11338	172972	68817	90504	14290	95099	18490	36505	15285	161427	67122	66672	10603	53705	62118	14936	12383	19481	545436	13770	66644	53903	17317	15212	12345	15191	66437	653135	18262	27394	10805	90737	196993	75771	85770	1	74221
783.8355@0.8432475	46526	46945	43968	47084	45875	46019	39877	38933	43032	36060	50402	49105	43943	49107	38995	47825	44452	39631	48852	41925	48176	45678	38408	35404	49235	49070	51422	41740	32775	42065	68808	71383	70539	68402	71849	69558	68388	69102	62683	66085	66136	64977	70434	68113	65251	64371	60955	64388	67742	68678	56179	57329	66078	72820	71401	77920	67597	71726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34574	34239	36137	37723	31704	31751	36606	34418	38527	39452	34183	36146	38166	36883	32268	34642	36752	35707	32123	32986	34289	34025	38522	37561	33263	34092	34256	35077	32859	35692	36868	38683	38346	36128	41747	43296	36290	36202	39612	36812	30188	28494	38394	41846	29633	30935	35253	35808	40202	40032	31665	31984	35474	35320	29793	28832	47355	45726	28595	26049	33727	32760	35934	37918	36161	37069	34573	34405	37483	38875	32660	29833	24380	23243	33177	35494	27970	30632	27355	28653	35423	37294	27445	28852	35284	34056	31444	31172	46930	46927	29763	29785	31561	28462	29906	32916
452.1265@4.4010005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15702	14033	1	1	43431	44502	1	1	20397	20343	1	1	18718	20535	16138	18755	11051	10716	1	1	1	1	1	1	31916	31061	15101	17313	14521	14669	38803	37834	8541	7735
512.1879@5.399001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17312	20386	1	1	62714	44245	1	1	1	1	1	1	25098	19749	9451	6739	1	1	1	1	1	1	1	1	26303	12788	17734	14101	1	1	25191	20045	1	1
687.7548@0.8550005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24204	25262	26942	29875	20571	19615	29686	25151	26413	25754	25748	24935	29913	27718	27930	24739	28250	26387	28823	21798	29452	22997	29409	29857	23274	21977	24628	34029	29484	26753	33813	36957	27867	24416	33472	27341	26315	27395	25079	27820	15366	16219	30466	24951	15821	12774	32420	27096	28291	27489	13552	13523	13294	15787	13481	15776	22198	22562	12457	13317	12516	12466	21948	20875	15976	15045	14233	14583	14672	15737	13680	15480	17300	16299	14097	13914	14113	13764	16480	17434	14831	14503	14910	10647	14152	16398	14193	14408	27968	27268	12838	12652	12803	12998	11171	12247
C11 H3 N4 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12455	10198	1	1	7979	10469	1	1	10301	8446	16920	17635	12842	13770	17998	21177	11457	10653	15027	14641	42217	45005	14609	13986	12682	12617	45613	43897	16392	17574	1	1	16425	15910	12620	13698	48017	46545	8675	1	44116	43728	55502	53492	25747	26588
135.0541@2.976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9103	61588	7046	47726	59674	51717	66883	6534	8776	7332	9201	69052	6917	51833	51808	6226	116226	9401	70007	63699	5754	9106	7597	68263	74169	9558	7814	51436	8752	66001	7595	6741	62313	7426	8683	7482	40288	9422	50627	7643	6190	7704	7649	6888	8575	66936	35286	51666	6662	38726	27741	29238	25561	34835	30533	15618	36902	1	33897	16253	23597	31687	47354	21190	10128	9955	11990	14936	8287	34599	6347	9577	9601	9460	10651	11756	8682	12520	11827	13740	9535	28364	11146	9653	9397	36558	8852	11303	8689	12009	10141	10621	60144	10402	12310	14315
216.0612@3.1849985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32016	1	25499	27291	23999	34221	33381	1	1	31614	28303	30515	1	29538	35412	22802	21259	39128	36607	28294	29021	28693	26547	34822	45803	59657	36149	31550	47207	29935	1	31321	32211	1	27339	30183	25082	36900	32823	19828	33468	1	1	37205	40066	35396	37154	31591	30955	1	1	1	1	17822	15095	12603	13424	1	1	1	1	1	17308	1	1	33255	35769	1	1	1	1	25528	28412	20824	18207	1	1	1	1	1	1	1	12809	1	1	14749	11744	8821	8122	1	1	11649	12150	1	1
391.7634@0.87000036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37114	36446	37900	36273	22233	20922	33779	36984	42233	43886	39362	37976	38314	37208	36005	36917	35836	39629	37694	35650	35521	38337	43041	40047	37494	35256	35427	35839	37392	37633	42475	39532	37402	37033	43065	45227	35475	36711	41281	42405	23171	21406	44158	46390	17789	17589	37824	37373	40390	39041	19722	23808	22196	23417	18601	20324	31633	33869	17463	15310	22413	24650	27745	31055	26502	25524	19660	19524	29112	26799	15495	16191	15535	16548	21399	23795	14678	15779	17433	16891	25500	26320	17669	16951	25852	24512	15866	17677	37311	37653	17325	18346	12920	13829	17892	18961
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C8 H4 O8 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39753	38102	42823	42929	42126	45591	43288	47334	40567	42619	18114	40720	39461	37917	32458	29897	40186	38379	32635	33119	36374	33863	40277	46368	40057	43817	46534	41663	32544	33925	41586	46108	34298	36070	44920	46188	43496	43972	38188	39456	15285	14749	36158	40550	41712	42216	23334	32393	33274	31810	11260	12152	15405	13491	13211	14952	22319	26439	14007	14841	19654	17282	15058	14354	10884	11669	11925	11956	10717	10482	9811	10391	15065	13397	14718	12900	7718	8022	20079	19297	10586	11140	12968	13903	10463	10470	18365	13153	17827	16816	9981	9826	8464	9179	10135	9129
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516.3554@13.166995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8469	9307	1	1	1	1	1	1	1	1	7871	7230	1	1	10800	9326	1	1	1	1	1	1	9761	13651	6496	1	1	1	1	1	1	1	1	1	1	1	33656	26696	1	1	9474	8570	7722	7194	1	1	1	7020	9530	8056	10534	1	7372	1	1	1	28311	22575	1	1	1	1	7214	1	1	1	1	1	7128	1	1	1	1	1	1	1	1	1	7261	1	1	1	29998	1	1	1	6430	1	21401	39520	1	1
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531.7236@0.86000043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32025	34040	37045	39074	23665	24110	36642	35685	34602	33367	35005	34984	36105	33411	35096	29507	35533	37052	35300	31896	31890	33973	36105	35167	30045	28772	38484	33857	32775	33637	41114	38215	34698	36352	43052	40907	36455	36922	35411	36570	21230	19793	38977	39739	21483	19974	34812	36577	40904	36766	14762	12653	19519	17836	15588	13787	25794	28161	14054	15301	18439	16960	26062	26294	18963	19750	19213	15760	19487	18329	16056	16023	17085	15402	17809	17582	16316	14802	15656	16981	17342	17735	16930	15841	20327	18733	15221	15923	33283	33900	14923	16524	14138	15251	15787	15714
457.9108@0.8499992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31561	30996	33631	37766	28340	29482	35227	35497	32626	34273	37899	34690	31907	31830	34906	37441	36613	38390	35398	35396	36462	36477	38241	36933	37730	37387	39437	39493	38960	34317	35314	33701	32785	35296	33542	39092	33243	35423	37657	36359	29270	30326	37862	35865	35859	35165	37660	39721	35011	33281	21885	23601	23304	26661	22189	22961	34652	33998	23314	22270	24148	26898	33747	35552	26133	25488	24898	25476	25920	26571	24293	22726	21491	21101	28903	26411	23919	23736	25432	24557	24646	25981	22680	25027	26502	24644	26232	23149	40232	38279	24128	25395	21119	25286	23435	24679
m-Trifluoromethylhippuric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44598	44147	12817	12380	8951	10250	7136	1	11065	11149	26181	24341	11882	12122	46183	46727	19706	20190	15192	16144	36515	36916	10939	13844	23183	26357	49379	45418	14123	13894	11239	11222	9593	7654	31796	29329	24485	24620	1	1	32733	32920	41173	39596	14273	15231
360.2306@10.984002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10608	7339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17753	8213	14806	8911	27050	1	1	1	49854	53953	9042	20156	17836	20228	1	1	1	1	9444	8710	32373	30343	21400	17052	6620	8348	17905	13952	52175	52846	12030	11757	34609	34208	7570	11739	48230	25042	1	1	62784	57652	35496	39345	35208	33543
294.2567@13.375999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8058	7804	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10906	8716	1	1	1	1	1	6791	1	1	8934	11546	13116	12303	9353	1	11336	8129	10054	1	20298	26529	11058	12247	12891	10079	15828	12908	11835	10885	11206	8401	12798	8847	10525	8799	10691	9457	10206	9715	10547	11003	11311	8467	10047	9021	24791	11018	9665	11337	12828	10209	16716	23305	14085	11058
4'-Methoxychalcone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36932	39877	1	1	19639	22536	1	1	1	1	1	1	39515	40731	90586	87867	1	1	41586	35122	84355	84416	1	1	60272	55032	1	1	22058	29347	1	1	42704	36411	41539	40082	55445	45920
145.0457@0.986	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23360	27301	12939	11580	32805	32526	33572	32749	12916	15592	36322	42836	15479	16054	44535	36616	19586	20415	38275	38505	29094	24386	30024	25993	25230	28388	24919	26809	46535	45900	23345	19748	15601	14303	10446	11584	16187	23689	13948	14038	27346	27559	15548	13502	33080	25477	33125	21978	19225	21310	89913	91680	190441	185786	22838	19929	13928	13904	27046	26005	31131	19938	25107	20913	297158	299805	139574	143465	1	110239	26527	22867	33947	32259	219713	220937	26968	21457	30340	24718	36718	31669	24185	23934	24536	23839	30206	26514	21756	20392	21750	24705	24868	24521	35528	25189
233.9366@1.3310004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31525	27734	44919	44546	35752	41686	36658	39068	42430	39269	50562	46406	44187	44751	38775	38454	32792	40896	31204	33967	45464	46156	44621	36116	46015	39090	43420	42463	41916	1	40603	41050	36901	37728	33457	32656	53057	43525	37852	41132	50499	50616	56188	51225	45461	46536
769.8067@0.8410004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43919	38318	35433	39453	37301	35720	39235	40244	30755	30306	45919	40326	35583	36080	48059	45419	38179	40093	43345	45273	40709	39133	42996	43191	43875	42741	47445	47090	37798	36650	32720	32243	35082	40520	22402	30415	41900	35831	35422	30472	39870	42252	25898	26670	41283	40799	44685	42667	30359	27223	29170	29635	23600	30864	29672	29853	23958	26412	37903	39707	29150	24975	31109	34079	32407	24413	26613	28176	26309	25594	34323	30648	44714	39057	26817	29845	33423	32134	41417	45054	28356	30144	37357	37246	30550	26909	36224	32468	24041	24627	31232	33762	31821	29537	38649	33734
494.8777@0.84400094	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10380	9760	11667	9920	16544	17002	12654	12972	8888	1	12226	12961	11956	12627	14395	13120	12965	10321	13596	12509	11653	13147	14408	14219	11671	14559	17123	14551	11947	11898	1	10645	9771	10387	1	9814	13163	12933	11234	11138	14132	12492	1	1	21256	21807	10546	11998	1	9310	7968	10409	7728	7724	9102	8572	1	1	15912	15202	9228	10329	10216	9191	7614	8769	10198	10305	7317	1	14624	14502	20773	23825	1	9142	15716	13825	18986	22732	6487	1	18193	15079	7396	8697	14089	14547	1	1	15548	13842	15262	14486	14907	15517
296.2346@11.992796	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43432	28516	1	1	51984	69598	16481	16004	114228	36978	44476	171070	1	1	19621	24986	51076	85855	99282	102641	87488	80820	63522	61391	55182	45487	46478	39141	27348	167557	36225	39139	1	1	34486	38769	1	55016	87377	111792	95435	96540	26824	49603	24953	56666	31939	99784	65859	57778	1	1	1	1	76770	51940	49726	7477	1	1	104878	112923	1	1	1	1	1	1	1	1	1	1	56136	69383	1	1	1	1	1	1	1	1	1	1	1	1	103227	1	25592	88623	1	1	1	1	1	1
99.9643@0.8649828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6253	6949	1	6195	6750	7494	1	16215	9559	1	13928	1	9515	18790	1	1	1	1	1	7188	9074	8534	1	5401	13699	7566	1	1	10418	8240	6923	6389	1	1	1	1	8010	7099	1	1	1	1	8464	1	1	1	1	1	1	1	1	1	1	1	1	1	36165	31228	37614	10455	30540	23146	19420	31277	32939	29890	33061	35833	31084	46403	35288	39415	21290	13183	37640	32233	33035	26655	40564	22373	26046	28252	18754	21480	12545	37121	39929	27942	36434	36761	31015	38239	28618	51372	29608	28018	32284	51220	32581	50295	14201	19236	30726	42180	27147	40029	16651	24722	25935	26814	26075	24356	7955	35200	37693	13304	23857	24981	59780	21195	30499	36320	38519	24338	17942	26214	22239	18858	19488	40804	21909	20897	31210	37221	38123	30544	26908	29196	22321	23995	39754	9082	21531	25193	22598	26708	30214	17033	21831	27964	40761	26953
225.0672@1.545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26494	29494	26171	20869	1	1	23620	30859	1	1	1	1	36342	21862	1	1	31029	32301	1	1	16975	16184	25544	39886	1	1	16882	13495	53705	47853	1	1
Carbofuran	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17153	17356	12457	12156	13896	11506	16201	13403	9630	9927	35816	38373	11021	13259	22136	22389	29094	28571	19162	15674	25956	25598	16922	14285	33793	36216	22684	23823	9930	14617	30528	28169	14203	8795	20312	21325	16614	15674	1	1	18310	19097	27377	27117	1	1
<none> nullnullnull 0.84700006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29115	25934	25794	29580	26189	20194	32117	28482	22480	25515	26797	29536	31233	32098	30607	27799	27795	28599	31657	28606	30815	30605	32990	25968	25497	27670	30291	33105	27399	31522	30483	30607	27401	28095	26378	23476	33618	25316	27592	27245	23901	23732	24700	25798	29541	28344	32441	28973	27362	25709	12639	11662	10747	12697	9999	12581	15509	15611	16932	18349	10842	10896	15060	15902	11430	10649	10422	12162	12244	11321	15183	16240	21702	22398	13684	12708	18452	12097	18348	18837	12864	11454	15845	18258	12827	11560	14103	14123	14658	16338	15468	15038	11044	17922	18182	17419
813.5551@17.778011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	251366	241144	257107	259275	252617	259206	253896	252187	241681	235410	222169	228685	215897	196757	209410	211213	223283	229522	205158	204369	218366	214697	215383	215885	197293	202677	184000	155249	177610	177937	178150	184224	179772	172608	178983	182311	164989	139897	169789	159638	152027	152298	159652	155017	145489	151140	1	168174	219825	184578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	164734	1	1	1	1	1	122227	178355	1	1
Pro Gln Ala	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7467	8703	1	1	7808	8090	6197	1	20946	23339	1	5980	1	1	1	1	41214	43250	10451	12793	1	6284	16920	17178	11456	11284	1	1	16138	13924	1	1	43014	43900	8142	7628	24669	25673	43127	42680	20735	21404
317.0397@0.9309998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37073	36143	43620	47662	46315	43943	47585	48480	38342	42326	40849	40023	39888	37944	32770	28265	45495	46113	31294	35222	32477	32491	44298	44988	39835	36053	52204	50816	32187	35177	53287	51593	42420	42954	49974	52281	48049	52426	42976	40420	23069	25409	36992	38507	49527	52175	32733	37430	36483	37345	17328	16996	21705	19959	17162	18790	33371	30016	20677	20853	23919	23605	20978	18585	22375	19239	22567	22642	24081	25694	26187	23289	23545	24653	24551	29205	18197	16310	33613	31307	23371	23413	28729	25756	23556	23852	24215	22255	18561	19426	21538	24298	16070	16688	18839	20928
469.7076@0.8679991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40223	38909	44407	43605	23773	22288	40296	39423	47389	49476	41286	39670	40598	34770	35225	38724	40076	44124	37926	40751	43387	44820	41790	40618	40301	41326	41736	37712	41711	41524	47058	48474	41230	41237	49035	50325	38912	40222	46366	44550	21762	20751	51220	53701	19576	17320	37343	37714	46652	47596	23718	23382	27562	27240	19444	18592	37719	38683	16486	15531	23519	23363	34349	34310	26302	27602	20315	20492	30421	30972	15562	15270	12592	13242	23912	24171	16003	14748	17061	16944	28218	26103	14242	15774	26490	28527	15100	17107	38614	36376	16997	19002	12621	10044	17398	15970
3?-Acetoxydeoxodihydrogedunin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19856	21943	10578	10104	1	1	31646	30100	1	1	1	1	1	1	1	1	1	1	10932	10168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12089	15056	1	1	1	1	12461	12368	1	1	50915	49939	20205	21030	1	1	25015	26263	35641	32634	25257	25375	37483	31101	1	1	50940	38690	1	1	30726	21366	1	34225	18681	1	36230	1	26864	30727	1	1	49591	49930	48268	39189	1	1	1	1	1	1	29744	30300	1	14337	26398	14028	1	30231	21034	22708	86754	79984	19682	16020	42139	43193	1	1	30240	24910	1	18370	1	1	12697	16612	57260	59929	33773	1	11567	10170	29695	55317	1	1	1	20431	1	1	170358	166731	50721	45918	1	8194	79742	75074	11080	1	1	1	1	27793	1	1	252729	238961	24367	23866	46653	47453	241151	236101	76194	76973
921.7202@14.025011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	138414	305377	80749	109419	266763	110634	1	182484	1	141753	339604	55676	24114	225795	1	16846	72462	126358	37918	367749	41220	49197	122915	243735	30679	1	1	29607	138589	15654	317371	294852	1	231314	174268	267438	1	61048	1	142581	185646	401663	1	177173	103713	92844	110409	26359	30917	106742	13137	56721	102622	40478	27744	36031	77516	1	18255	20900	1	1	44206	69913	36098	6180	30783	30675	141547	129433	12961	13593	87428	59921	6421	38975	65089	72542	1	14066	6620	19261	57893	14549	54652	9504	50329	10899	9912	17624	11420	10869	1	1	388810	69303
294.2559@13.037999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48280	38097	1	1	1	1	1	1	1	1	1	1	1	1	13624	1	1	1	8518	1	38882	28853	1	1	1	1	1	1	1	1	1	1	11753	1	1	1	1	1	1	1	1	1	11536	1	1	1	44009	1	1	1	8248	1	10787	22524	1	1
331.1812@8.899001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9254	1	21548	23464	1	1	8158	1	1	1	26041	27357	1	1	7328	1	34473	35523	1	1	1	1	1	1	1	1	36805	33105	1	1	34466	32976	39170	41324	12188	11604
690.2939@3.3419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26613	26065	1	1	1	1	1	1	1	1	1	1	21092	21428	42791	40577	1	1	46055	43998	48804	48022	1	1	31002	30153	1	1	11798	9977	1	1	17593	18143	27587	28460	20040	19516
846.6423@14.028003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7775	14604	8420	7349	9063	419398	8473	8857	12092	10028	15221	10488	117295	34127	14000	10796	123981	184064	42835	85370	8842	1	8975	12791	19466	56577	44289	9051	153277	72368	20022	1	95905	1	22987	51126	9926	7681	1	1	201762	11313	1	119372	74737	120301	14732	10373	39025	184080	28000	194155	246704	686254	1	130043	26866	13020	82599	1	95947	31565	1	14734	765740	17241	41410	70759	399514	2076155	37524	248853	18357	17470	18099	15745	12386	27525	86690	29551	16732	38258	128545	41891	33919	10202	154273	53707	13990	14473	10941	14458	12746	1	76132	757073
Butyric acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8184	7709	13108	14598	8650	7673	1	1	13233	11727	9811	11366	12497	11507	1	1	12453	8591	1	1	41305	39778	14262	14302	9666	11262	40451	40960	30332	29823	1	1	31130	33539	11291	9773	31688	33196	1	1	46448	45560	48324	48826	20881	20508
943.8444@0.83599925	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26626	29055	30446	30624	25335	25081	26855	25031	34274	28393	28827	26938	23573	28709	25516	27042	29706	25547	23743	26339	23723	26718	27506	27926	24380	27196	28373	26717	31397	25024	27998	29145	25138	25885	31072	31332	27348	28215	30336	28922	18783	15631	31407	25340	21212	20018	24079	24815	26260	31790	32759	30499	35267	31951	29287	29980	43225	40426	20519	22008	33447	35358	37178	34676	37832	34920	32632	33560	42215	41866	23875	26087	15392	15860	32549	35002	21388	19040	19706	21157	35439	37704	19787	18626	34840	38010	25201	22862	44493	49279	22915	25804	19777	20167	23826	23296
531.2597@8.589997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10092	8987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14579	13623	13382	10378	13811	18589	1	1	1	1	1	1	14912	13978	25316	25449	10771	10019	8558	14493	10239	9517	1	7062	16249	15459	1	1	20360	10985	1	1	10170	1	1	10469	18430	16285
585.6233@0.8639991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20532	20684	22799	21626	13870	12203	21709	22182	25664	27188	20543	19302	20127	20454	24199	16763	19494	21805	21478	18593	18860	16350	21209	18781	19669	23018	19615	20719	21386	19784	24881	21323	18151	17242	23422	25838	24327	20623	23611	21258	11066	9322	27597	24456	10426	8589	18317	21579	21159	22027	11355	10460	12714	11556	9844	10623	19814	19522	8855	8613	13220	11590	16775	14051	13186	12930	10466	11280	13171	15371	8046	9547	9843	6613	11557	13605	8841	8881	8118	10942	12734	12926	7585	8514	11235	13101	10999	7639	21763	23933	11597	10569	6763	6572	9580	9744
358.1225@4.9759984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10302	8040	8954	17391	13923	52055	12175	8864	13450	11030	10336	16973	1	17175	11509	9434	14729	11758	14085	14310	1	17743	1	1	15820	17367	7041	17258	22773	14979	18757	14476	1	1	12224	19633	15204	11198	19007	12224	42415	45416	12001	10528	10023	18854	13110	11172	7618	13535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8345	1	1	1	1	1	11923	11968	1	1	1	1	1	1	1	1	7525	10995	1	1	11303	1	10087	7492	1	1
303.0735@3.0879984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30250	26391	24031	21212	20202	17703	29728	27323	11574	15272	25741	28497	18077	17104	18395	18200	49202	52728	31702	32427	18381	18981	31960	28085	29250	29797	16520	14629	26328	27886	17569	13683	23779	23458	13438	11276	13253	14458	16316	17578	10668	14571	26853	24526	42855	40545	19239	23379	21947	24774	1	1	1	1	1	1	1	1	1	1	1	1	1	9552	1	1	15245	12838	1	1	14953	14462	18711	18533	1	1	21702	20121	15523	21516	1	1	13147	10985	1	1	16037	18015	1	1	14440	14951	19313	19298	16276	15953
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C7 H3 N3 O4 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8666	8525	1	1	8548	7948	1	1	7453	7515	14326	15671	17026	20629	16913	15473	10436	10761	12468	14043	36523	37920	17489	15758	12136	14146	38896	36798	15481	15890	7932	6695	16789	16787	13401	12900	43569	41205	9228	10006	37382	39144	43591	43509	25907	24690
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190.0476@1.5589992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6764	7168	1	1	1	1	1	1	14982	15683	8009	8161	15446	17036	7994	9567	8505	8436	1	1	31649	31077	18840	21711	8097	1	26023	26164	39523	36459	10468	9423	27148	27238	8195	7224	28863	28218	1	1	29738	31139	41727	36980	22877	20943
771.2192@10.217997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10033	10479	10162	9146	1	1	1	1	10256	9244	25044	18994	10111	8031	9719	8712	16622	13448	7203	6348	16144	13169	1	1	10382	9041	11452	11685	7864	7560	9995	9538	13392	11416	12298	11640	29640	11423	1	1	18553	16366	27821	40212	14074	12760
1349.0254@0.87000036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27139	25700	32376	29402	16054	16760	26044	24409	38459	35010	27781	27294	26673	27862	27441	27321	1	27924	26572	23811	28659	25737	27656	26575	24134	26193	27354	26750	29123	29686	33815	32103	29614	28567	38377	41020	27897	33599	30704	33505	14405	14529	37940	36879	11808	11413	26214	25863	34581	36092	14596	15718	18552	17969	14218	14918	35349	34888	11401	10911	18342	16901	28638	28870	19354	20168	19215	17387	24535	20986	11541	12386	7848	6561	20756	19051	11595	11275	11491	9660	19291	17390	9893	10763	20483	22751	13354	12062	38897	42064	14261	13217	10986	9763	12208	12795
3-methyl-dodecanedioic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22538	18800	19878	19590	19418	19917	17314	17918	20469	19287	22463	16984	24460	20995	17239	13776	15185	14517	14591	14305	17370	15265	16568	15930	12808	15199	15066	14380	10967	11381	11717	13539	14772	13284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	310431	1	12078	11974	14206	17166	15673	18576	13674	12325	13444	15823	12655	16348	18010	15622	15701	17451	15507	15497	17830	15905	16768	16229	19717	17672	16288	17863	15606	16053	16077	19828	18697	18660	16622	17155	16375	15407	15270	18201	24233	17328	22564	20519	19663	19020	18795	20645	24746	18601	17528	19727	18754	22370	20956	18109	24727	26793	18023	17821	17145	22087	20969	24208	19408	22795	22905	28679	22844	21259	23486	21775	30210	35152	20594	24634	20419	22449	31421	30196	27626	19216	23201	23416	18970	22797	25963	21364	27927	25326	20666	19131	26872	30205	35272	38350	25131	24962
382.2693@11.573233	47211	29948	11411	9222	1	1	1	1	13350	5534	1	1	69409	14506	54897	18147	839012	46004	53299	11170	10393	18134	1	9681	1	1	7256	1	1	1	31264	32286	16062	16651	11734	9474	13975	17071	17717	12166	17513	20734	11565	14673	55677	54477	20589	17971	23450	19029	1	1	18562	10973	11940	1	21364	19065	1	1	1	1	1	1	7392	1	1	1	1	1	1	1	6492	1	1	1	8797	1	12902	12371	85579	17622	7157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7285	8524	1	1	1	1	19283	1	1	1	8389	7921	6969	6643	35719	8104	8198	11268	1	1	41107	42570	1	1	1	1	7484	1	1	1	1	1	11002	15341	8202	8434	30320	30921	16560	16705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24574	22272	1	1	25111	24588	1	1	9680	8399	1	1	1	1	8978	7855	18707	19176	10804	10320	11070	9549	22380	23011	1	1	1	1	1	1	7829	1	12826	12132	1	1	1	1	1	1	1	1	8671	6431	1	1	17500	1	14594	15902	1	1	1	8426	1	8891
345.0471@3.6520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12247	12889	1	1	1	1	1	1	1	1	34226	38519	10489	10360	12901	13066	8282	1	26411	30376	10078	9720	1	1	36776	33285	12993	12582	1	1	13971	10505	1	1	8706	8994	13878	13867	1	1	16056	14921	13864	12641	1	1
1302.75@11.6729965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27027	30575	23494	30446	1	1	25881	23120	18851	18123	32321	28365	23968	22990	52581	32685	24502	18274	51128	40296	36278	30289	20158	20021	20095	40262	40642	39902	35385	39292	1	18423	33538	37401	18888	1	26594	36798	32130	24780	39092	19892	16740	17893	32166	21774	34943	46526	20119	20548	23002	23626	20831	1	1	1	1	1	1	1	1	88289	27289	1	1	1	1	1	1	1	1	1	1	1	16618	14308	1	1	1	1	1	1	1	1	1	1	102100	1	1	1	1	1	35774	66561	1	1
184.0735@4.9580045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31315	56414	23874	22649	56254	101942	62007	25473	60644	19530	70134	63337	13077	32217	25366	25553	24247	23014	18722	34925	105648	26840	26182	30708	28908	82405	14614	29726	58106	66194	48595	51367	65059	43498	18930	10422	23873	32482	75300	71778	151561	39811	20402	21951	115152	42868	28053	55099	28686	16704	1	1	1	1	22981	22641	27593	1	16399	1	1	1	13141	17495	1	1	1	1	1	1	13286	15467	14889	69055	1	1	1	1	8620	1	1	1	42429	14998	1	1	36808	12087	1	1	1	11253	1	1	14109	21305
165.0429@4.524937	1	1	1	1	1	1	9123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18005	15380	15521	16428	13978	10892	12683	10547	1	1	10551	14007	16504	21374	20643	18316	10522	12161	15968	13152	1	1	9691	15080	11012	13553	23231	28479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13072	1	1	8658	1	1	1	1	1	13870	1	11514	8476	1	1	1	1	1	1	9685	18999	9826	1	8949	1	11798	14428	9692	9446	10204	11447	10619	1	16947	15546	11195	10720	12195	16196	1	10375	9293	8206	12542	14228	8620	10371	1	7977	1	1	1	1	24953	22588	14624	16019	12557	17870	1	1	14816	13168	7831	9969	8269	1	1	1	38258	34875	25397	15561	1	1	40481	37915	19893	19340	1	1	12229	12471	1	15749	13821	16327	12102	13397	12818	12461	36970	35019	12750	18888
> limit nullnullnull 0.879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24891	26927	33141	33183	42291	37288	39104	39429	30266	30793	35520	34333	30840	32277	23843	25914	33630	32402	23165	24055	29294	25682	38245	34617	28370	26489	34161	39644	22811	30593	39357	38187	30167	27004	34818	33446	38024	38541	31003	31243	16512	20977	26708	26576	36222	41669	26757	26285	20737	20734	16086	13408	19693	19315	14525	16094	27780	26703	21172	19586	27200	25436	22970	23211	20025	19234	23692	22008	15553	17378	19608	19235	25498	21500	23448	21929	13549	19267	34362	33867	19492	14490	22895	25088	16630	19972	20575	20639	15089	15432	22770	19146	15341	17768	16682	19242
196.1191@6.523994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58441	47184	29012	75079	49564	40642	50378	32173	42130	39145	39216	29764	27823	32889	39482	28256	43942	34934	47568	49086	60003	58524	50498	62718	33864	34052	43204	36525	42441	48473	47963	34611	16914	22584	32366	39080	36259	38283	58402	42159	65931	59803	29909	15661	67562	43974	41437	33723	35459	27382	1	88457	1	35090	41015	36066	1	49208	40217	37145	88428	42460	31626	29191	1	65514	35639	1	1	1	27367	23792	44009	72421	34422	29374	1	1	37483	39279	74781	33653	32875	34709	19097	1	26041	35427	66374	55862	1	1	63734	1	27539	21904
697.3796@11.662002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32183	1	1	1	1	1	15564	25465	21568	15188	11843	1	1	1	1	1	1	1	1	1	1	12213	1	1	1	1	1	1	1	1	1	1	1	1	1	10651	1	1	1	1	1	57024	32419	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37430	1	1	1	1	1	15372	14828	1	1
573.3427@12.536996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13476	15823	8269	1	1	9732	1	1	1	1	7406	1	1	1	11816	10901	7110	10235	1	9536	6575	1	10503	11041	13342	14192	6774	7114	19477	20374	15148	7116	11045	13070	10149	1	40852	34778	7496	10239	10118	10296	7624	13905	8101	8483	1	1	1	1	1	1	1	1	1	1	41533	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17503	1	1	1	1	1	1	12328	1	1
318.2192@11.252007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10932	11242	1	1	1	1	1	1	1	1	1	1	1	1	8680	6991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7412	39089	31049	64045	51668	1	1	1	1	117614	110485	108206	97575	41271	43272	22876	15139	15143	14432	16006	15861	72295	72159	34507	26411	98864	82148	78414	57467	121587	118701	52803	74884	93824	84635	50311	45358	105129	59007	1	1	187123	166972	111162	128154	64169	57053
C10 H15 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12045	11565	7243	9204	9681	7623	10756	11165	8649	10250	11341	10155	11549	11231	9897	10978	12986	11556	12310	11997	13062	14492	13605	12217	8049	10270	12979	13591	8637	8629	11320	11364	8260	10997	11046	10152	12343	12639	15144	13577	8071	8718	11809	8872	12545	13968	8749	8939	9995	10195	14035	14777	14869	15305	14062	12541	10354	12157	27015	28508	18179	16188	29933	33103	14442	13064	16416	17299	11606	13282	24843	24182	32243	33217	14986	15883	26762	22422	34230	36133	14240	16342	33454	32978	16404	15481	20377	20076	17971	17490	23225	23755	25477	26433	27460	27649
703.2322@10.217003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12795	11807	12349	11893	1	1	1	1	11303	9508	28580	22999	11024	9961	11599	10778	16276	16147	9725	8675	19268	17265	1	1	11359	11341	13653	12776	11736	9845	10144	12152	14886	12413	12848	11934	35535	12071	1	1	22123	18870	32110	42678	18824	13778
907.1941@10.218997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9498	10067	10896	9418	1	1	1	1	9880	9280	25910	20787	10234	7726	10884	8862	17231	13631	7690	7170	17018	13533	1	1	11257	9655	11311	12274	9679	10278	9450	8665	13806	9965	10442	11560	28821	12655	1	1	17720	14588	28201	39146	14077	13604
Methitural	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49103	29398	26308	1	36060	36886	40046	44996	19319	46096	37000	27121	29388	23757	1	31945	34328	30617	1	32891	70867	20850	36440	45582	61021	1	32725	45233	45614	14401	1	30102	1	1	37005	37056	1	1	32210	37241	1	112353	13024	1	29298	1	39768	35775	46659	69705	23665	23166	26128	15816	24657	23924	17089	25608	21101	31489	14476	24479	29262	31616	22211	21934	22471	27620	19150	17602	32365	41425	25742	34038	22137	18833	42819	38968	22701	41080	23239	24341	23592	29764	21544	19682	56329	41809	30241	17571	34421	30521	42042	39189	30813	37274
602.1168@4.8580008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9449	12522	1	1	38036	36638	1	1	21466	24088	1	1	21635	21416	19123	19145	1	1	1	1	1	1	1	1	31044	34886	13001	12645	17155	16978	34928	32823	9629	9484
717.847@0.8432475	60692	53364	48312	51795	77364	79716	47618	32862	56446	41354	75772	76891	72731	68020	64576	58676	52166	48762	62046	61020	81822	85122	29305	34998	53705	61092	60147	60718	35298	46262	146884	142563	135061	139911	138698	141197	140803	146429	129541	128307	143318	132876	132001	134907	147838	140360	125396	125700	155141	152483	86083	88625	126616	126263	151786	150945	129462	125389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24883	23988	28084	26832	24557	23774	25132	27413	28803	27154	23290	25748	29125	26403	28550	26219	23656	26303	24154	24398	26057	26269	26621	23119	24278	26385	22108	25152	26098	23820	28973	28638	24339	27935	30161	27638	25836	25033	27041	25749	19509	20793	29567	29287	23719	21309	28094	21675	26601	27295	21049	21320	23318	23900	20907	22732	33661	31983	18733	18154	23171	23930	25771	28653	25320	24424	21665	25516	27698	24628	22787	20516	15045	18519	25106	24998	20431	18627	18820	20041	24514	24163	16870	17540	24490	24094	21735	19933	30975	31654	21350	23297	19244	18501	21428	20658
569.7724@0.86016834	76113	75162	84289	77207	85596	82973	78051	76301	95701	90211	93138	82718	87565	87850	56582	57921	82646	85639	75892	77312	76904	75622	63565	59245	83819	91179	74646	68307	64004	70920	108112	102250	124963	125898	119244	115015	123059	127042	93607	96548	116735	119220	89500	87906	63784	63562	81372	87855	94360	94516	42125	43077	84754	86310	129442	127473	130894	127288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14423	12773	16156	13492	15287	13654	18280	18285	13882	11031	14221	15080	14869	13272	13408	15603	13811	15487	9989	13756	14280	10228	16033	14728	14120	13528	16858	16159	12621	13094	18021	18317	16024	13785	17240	20412	16288	18220	10676	14686	9456	8829	15269	12284	15577	16374	13869	12891	13097	14482	1	6743	1	7031	5889	7027	7344	11437	7348	10106	7871	8744	11306	10136	6903	6780	9172	9450	1	1	11733	8480	11978	10945	9941	11437	10036	7740	14033	15555	7836	8350	8945	10369	7251	1	9540	10486	11718	12938	10263	7985	9271	9967	9739	8458
298.2505@12.139006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38740	193991	1	1	16614	1	1	230074	1	89674	1	1	154536	57191	1	55318	1	1	1	1	1	40270	1	1	1	1	1	1	1	1	1	211879	168699	1	1	1	25271	1	1	1	34979	1	142436	1	48386	1	1	24980	198991	132893	1	1	1	1	1	1	36804	80695	37154	10577	142796	1	50144	174689	190034	22767	69674	1	1	60128	213035	1	219458	1	1	230394	88036	195246	1	1	1	48319	210629	1	189992	10870	1	1	1	103198	43152	1	50442	1	43033
137.0472@3.404621	14133	14150	11815	16222	13003	1	14925	15141	1	18857	1	11455	1	1	1	1	1	16745	1	1	28020	10455	17194	16349	23139	31004	27544	26280	16123	44889	1	1	19961	11831	19088	23178	14457	17555	1	1	15886	15786	1	23322	1	1	11492	18440	1	16270	1	14260	40733	39127	17781	16131	32560	28209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53777	14115	16517	16197	12428	12969	10252	8643	15667	13428	29626	1	37729	40129	20631	22115	19375	15220	1	1	30777	36107	12101	15087	10046	14863	28025	22221	11348	12068	16201	17200	12506	13410	16754	15846	22311	22870	1	1	14812	21290	37033	39050	70806	11331
278.1514@11.633293	9601	8444	10513	7460	9256	9354	7500	1	10768	1	10684	1	7152	1	8184	8813	1	1	7007	9305	1	10219	1	12116	13159	11119	10747	12895	12255	10118	9990	14541	21124	12342	10120	9126	13419	12618	10006	9727	12105	11055	10590	12256	15332	17043	9145	13029	11703	11674	11236	15090	17944	14858	14636	10052	16213	12978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8506	1	1	1	1	6704	20122	1	1	8815	1	7168	1	9814	7552	1	9785	1	13264	14582	8605	1	5727	6329	1	9864	1	18873	1	12779	1	1	9038	1	11988	1	7981	6360	9267	1	12008	1	14051	13171	1	14179	1	7764	1	10521	11290	10823	8200	1	8945	6890	8069	9668	8191	9667	10410	11033	9396	9514	1	7498	8077	8422	8453	7792	7953	9074	9844	6905	9006	7675	10052	7625	6630	6556	11143	8603	8709	1	8843	8505	10843	9929	6851	9208	10570	6754	12086	14556	8365	6871
181.9805@1.1459801	28245	1	1	1	34541	30142	31828	1	31044	1	1	1	23119	1	27970	1	39232	1	1	31064	1	1	1	31321	1	1	1	1	1	1	1	61131	1	1	1	1	57601	1	1	1	1	1	1	1	1	1	1	1	1	72944	1	1	1	68195	1	1	54476	1	48722	1	1	48747	1	54254	1	38136	49083	1	30702	1	1	1	27301	6449	1	1	11968	14733	1	33176	32730	1	1	1	1	1	1	1	1	35177	1	1	42785	1	1	1	1	1	1	28214	1	1	39994	48786	43954	1	1	11676	1	1	47706	1	1	1	1	1	1	5449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10854	50881	1	77020	7705	13768	50122	1	1	1	1	39252	32541	1	1	1	1	1	1	1	1	1	22534	1	7922	9082	1	1	1	1	6741	1	1	1	1	1	1	16386	1	1	1	6489	12136	1	1	6777	1
230.1885@10.576975	142937	1	155014	140077	139748	129468	142305	59062	135629	229444	135290	139275	88431	91619	77341	110896	65868	146653	101235	85533	139323	142867	262597	24719	161410	347307	160958	143810	68594	139169	134253	271573	138118	128659	144409	153561	139010	113908	142321	133883	330645	164388	130580	130608	154315	143166	128466	152425	141411	262380	375596	155981	153688	116678	262928	120986	154144	156839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130195	129921	141616	135264	153288	134806	143976	97625	144652	80259	141180	159569	147132	85844	251432	123532	133055	97738	140048	139073	136674	324024	57801	136579	148510	135845	130129	311430	135722	132355	121261	138441	297215	134964	241086	119330	120565	132209	136305	134725	127580	129630	116611	121648	123838	138764	138742	126656	114430	129285	151287	76792	146235	321158	80756	143338	159152	193186	144410	139131	110121	144878	157542	109329	123248	107196	135485	135234	124441	226500	137921	32528	182275	134507	141620	123079	44717	130382	290419	151606	144434	276798	96631	136501	141704	135759	144144	264529	155090	149475	123088	151566	155051	162943	158052	157324
549.7031@0.86298597	29689	27286	32102	28840	30718	29829	31714	25757	29376	31138	32092	30809	31907	31520	27486	27866	29718	27079	30149	28410	26806	25601	26196	24454	25783	31836	29628	27419	30893	31792	18256	19320	19580	22977	21828	16361	14038	16813	25716	18089	15360	18479	20165	13567	15217	13629	19698	21847	9517	13743	9208	8226	23191	17935	13001	20282	16837	17648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21851	22801	22847	24289	23518	19170	27070	27924	18719	14810	26375	25010	23794	24408	25643	26770	25677	22538	25200	29523	23662	26820	30036	28037	24228	26629	32381	30270	23740	24526	24736	23279	20406	21497	20598	20496	28280	31800	21218	18644	21487	17066	17214	17904	26179	28224	27566	26584	18852	21586	10234	7417	10577	10250	8925	11853	11596	10355	15399	18987	12962	11877	18863	18577	11258	10190	12633	12460	7857	9091	18775	20143	21504	22502	11514	10813	22172	18575	20284	22572	11173	10746	18745	16626	10496	8719	19358	18179	13113	12516	16944	16859	18070	20473	18928	16643
1072.8151@0.8349993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19156	17484	18504	17489	16193	16238	15854	12992	17151	19463	16988	16301	16991	16336	16093	18464	18714	15721	16472	14937	15247	14652	16868	18634	13797	17184	16297	16712	17095	17586	16920	15270	17269	19756	17506	20566	16211	15132	18338	14270	13014	11645	14123	20574	14164	11105	16491	13132	15768	14482	23936	20553	23655	24684	20378	21228	27299	26676	13754	14738	20807	23523	19572	23816	27807	28599	20091	23334	29866	27832	16687	14509	9125	9470	27840	25677	11311	11702	12140	11699	27100	26567	9603	14962	26032	26896	17730	18065	31245	31542	15832	21834	13482	11378	17884	15109
254.2243@12.655999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15490	11093	1	1	1	1	1	1	1	1	1	1	1	1	16156	15468	1	1	7510	1	28639	25234	1	1	1	1	1	1	1	1	1	1	8592	1	1	1	1	1	1	1	1	1	6759	1	1	1	25885	1	1	1	1	1	11815	18016	1	1
MGDG(18:5(3Z,6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19251	19566	8893	10314	18750	20035	15223	15429	32254	34375	1	1	34052	36041	1	1	1	1	1	1	23216	25679	25134	28692	1	1	21107	21137	36500	36744	6558	7519	31638	33063	22636	22540	15314	19245	8770	9064	23178	25069	20759	21859	32262	33600
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167.9769@0.9209998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37850	37425	44332	41471	41417	39994	27301	25209	19567	17968	17115	19195	41326	44938	20245	20442	25445	27001	19300	17755	36805	39810	29251	25647	21266	20905	17161	19116	26139	25283	57730	56056	35815	44028	54775	53103	27223	27264	53635	51605	18193	19295	37965	40474	80090	85363	16746	16054	39546	40617	1	8986	22644	21999	17119	19391	21171	17927	18033	16717	14868	14244	30942	34089	11025	11687	17760	13981	9879	8160	28454	24813	23372	27599	17129	17620	27790	21009	27602	23506	11796	13158	16888	15288	1	1	19753	21178	18484	17371	23956	21954	23242	23669	18414	14813
534.3321@12.534999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9131	1	1	21888	23137	1	1	8025	8302	8795	1	7175	1	14128	14292	6959	7187	17287	15783	9692	11102	6784	8530	9678	9328	12372	20668	8742	10522	9717	10957	7208	8646	9619	9514	7249	8704	8595	8680	44080	40848	8608	8105	21103	13899	9777	18204	11898	12355	1	1	1	1	1	1	1	1	1	1	17575	17250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43683	1	1	1	1	1	12719	17266	1	1
188.141@8.394006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89742	445084	176469	1	490346	152184	458739	1	175573	446525	173060	201110	1	1	1	1	152832	133197	1	1	1	80575	181614	155606	1	1	1	1	94143	453560	1	193904	176486	193535	183102	47783	157903	177106	1	469109	1	1	1	68670	93354	1	134600	1	474562	1	1	1	220130	101807	1	232791	240632	216991	237005	235610	191650	1	511176	164185	1	196617	1	149493	1	459159	98405	1	184991	456302	172984	1	40431	173568	1	466218	167495	471681	206240	1	1	185145	500818	483198	1	173580	138456	1	185239	192359	142269
416.2561@12.474	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7650	7616	1	1	1	1	12375	13206	11290	10864	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42746	36487	1	1	1	7637	9799	10831	12031	13532	10279	1	1	1	11674	10069	7542	1	1	1	18057	15279	10838	1	25141	13684	55935	10019	9631	13645	12108	7865	21692	34848	11751	1
617.7779@0.8560004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23542	24342	27379	23427	20448	20785	26300	27610	27117	24031	22148	20113	25702	27804	24819	18125	28374	28379	20711	24165	20509	23347	26267	29631	25833	24821	23016	23592	25977	23942	30330	31038	23189	29063	34429	32599	27448	28290	30140	27825	11995	15280	29929	26740	18973	17913	21698	23597	27032	28901	12619	10523	14312	14578	8471	12303	23058	25795	9451	9725	16625	14507	20108	20463	14635	15042	12065	12424	15066	15995	13053	10535	10417	12789	15441	15022	12018	11382	10359	11002	15030	16442	9997	11679	14390	12447	10399	14306	25417	27739	14008	13533	13502	10958	11782	12209
461.877@0.8519998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21252	24399	25082	15813	35878	34554	29410	27582	15432	18823	29357	30231	29643	26049	30750	29984	25909	25628	29313	30783	27313	26759	28991	31227	27889	29070	30317	29600	25539	27526	18158	21496	20390	26378	19589	17133	30029	29749	24679	20816	29509	31560	16041	17466	43836	46175	26588	29813	15290	17503	16501	15040	16966	17970	22207	19218	13049	11190	33311	32353	20550	20708	18787	21863	13990	16775	23166	22215	14989	14125	35272	35192	49788	47383	18561	20451	35239	36653	41974	41633	14729	15758	40464	40662	18414	15598	34257	33587	16269	18350	31863	32763	41895	42740	33749	35853
335.1434@6.194	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10086	12068	1	1	16174	17520	25591	23599	1	1	1	1	1	1	24939	25919	1	1	1	1	32291	24898	1	1	1	1	1	1	1	1	29848	31907	1	1	22555	19314	36820	39878	1	1
300.267@12.536992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103108	115091	63441	108026	111219	86101	103152	105576	109401	1	1	93890	1	76712	91809	112585	1	65945	111110	115924	1	108156	106842	107860	105089	104502	115021	122045	110830	61052	101999	1	102828	105698	98702	107286	96007	54464	81213	60924	93394	86654	1	1	1	116558	101987	117712	110780	102484	104769	110130	148982	71673	128036	118758	34395	115232	1	122092	67570	74915	1	136520	100791	108992	97509	40518	130830	112407	68233	113218	124268	37573	96872	116834	39417	71687	102186	129655	112246	137505	103590	97670	98629	65725	154409	27205	146165	123313	114819	117683	149295	145670	77953	71920
705.2478@10.817997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7028	1	9844	7929	1	1	1	1	7318	1	24633	19059	8727	1	1	1	13635	11383	1	1	11259	8267	1	1	8422	1	7520	7004	1	1	1	1	10388	1	1	1	31438	1	1	1	12603	9162	25234	38854	11081	8173
7,4'-Dihydroxy-8-prenylflavone	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7275	1	1	1	1	1	1	1	1	1	1	25538	25340	6833	8650	1	1	20653	20562	7567	11410	1	1	7074	7949	1	1	21768	20967	1	1	16491	15032	36095	36043	16783	15706
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C17 H9 N4 O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7169	7992	1	7298	7289	7542	1	1	1	8988	1	1	8895	8671	9105	7657	8005	1	1	1	25153	28492	11340	10439	6538	1	33723	32511	10206	11665	1	1	7925	8010	9083	8100	16351	16209	1	1	24354	21189	23250	22794	10876	10568
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C9 H8 N7 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8447	8643	8492	8118	10372	10190	1	1	8042	8889	9714	11554	11023	11245	1	7003	9699	9589	8574	1	8919	9065	7438	9201	8822	9361	7466	1	1	1	9470	9789	9721	11735	12133	12865	10000	11309	13252	10548	8132	7411	12360	15047	9658	7959	13824	13887	9220	10697	10117	11029	1	1	1	1	9790	9191	11063	9556	17921	17694	1	1	12376	12744	1	1	19242	20634	15923	17642	9311	10982	31860	30119	19230	18760	8470	7205	17348	15032	8065	6589	18749	18750	1	1	19075	18087	31401	29313	16626	15226
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C25 H48 N O15	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13053	11585	14808	13164	34732	33340	1	1	26117	25346	1	1	1	1	1	1	15823	16794	23682	24066	1	1	17300	16705	34110	34874	1	1	23782	24557	8158	8306	15140	16365	13255	11802	16543	16053	14355	13238	25466	26242
240.0987@5.541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22070	19526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30811	16981	1	1	1	28315	1	1	26261	26644	19199	31986	18231	14943	1	1	1	1	1	24826	74921	39816	28476	41711	1	20191	1	1	1	1	25508	21556	81696	18720	17900	22128	16634	20653	1	14978	16935	25787	23789	18592	1	1	22287	6128	1	1	1	14108	1	20022	15124	12475
418.2907@12.819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135649	116193	1	1	1	1	152726	1	26331	83761	175165	169655	1	51044	1	128129	81242	1	1	1	176254	133315	208541	186537	160461	64617	1	1	116491	1	1	1	1	148271	11740	1	449512	57328	1	1	64439	23396	152417	1	1	1	155179	1	47978	1	50122	1	94536	1	1	1	1	1	1	1	1	1	1	1	1	1	22260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	120461	1	77893	1	60485	1	375402	158527	1	1
1301.2709@0.87300056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34316	30987	34676	35257	22159	20939	36164	38251	28381	28744	34846	35967	33805	34319	32297	34513	34355	30554	31314	32240	31932	35067	32668	36002	35784	32285	39202	37825	32360	32510	35202	32386	31329	33824	33318	31346	35979	37027	32426	34768	20856	18749	31445	30231	20818	22928	33731	32788	32189	30921	10143	9914	11801	11140	9212	9966	16148	14709	13311	11739	9820	11255	21876	21418	11936	11583	15870	13705	9048	10044	15066	14668	13448	13258	11900	13410	13624	14072	16234	13952	11188	11405	11540	12484	8120	10236	16518	15574	19094	22014	15087	14912	12930	13668	12936	12906
764.8892@13.672522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	127078	115305	227662	376335	1	32749	107255	199416	1	97527	203140	1	1	1	1	1	60736	78761	1	1	1	1	26201	1	1	296489	167556	217238	1	1	51541	1	45922	1	85791	228348	1	1	130304	1	1	84012	1	77335	1	1	1	30561	1	1	1	1	105428	61748	1	50996	1	1	229602	44762	1	117479	71319	78324	22900	273291	264718	305673	205658	83901	1	1	1	1	1	239303	14009	134060	1	158233	28709	1	1	1	1	1	300670	147213	1	1	48626	1	31504	1	1	1
205.9354@0.8720009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18497	18438	19675	23018	23840	24565	20969	20320	20061	16315	17226	19925	17273	18457	1	16692	24205	18868	15544	14330	16454	13563	24919	23198	22077	18900	22771	21794	13969	16977	20772	21506	17628	19245	24368	21639	19185	20067	20532	24789	1	15481	17424	18740	19736	20136	15936	12939	19739	16810	1	14207	13975	10678	17775	11457	20599	18992	15377	16439	15181	16104	1	1	17558	14220	12142	15659	17659	14374	19746	12585	16960	24397	18405	21684	1	13897	19021	19664	13409	10404	17085	21475	12616	15073	16624	15512	1	1	15611	14235	1	1	14269	19714
534.4637@13.377007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6158	1	1	1	5812	1	1	1	1	1	1	1	1	1	1	1	1	1	6439	1	1	1	6298	1	1	1	1	6422	1	1	1	1	1	1	1	1	1	1	1	1	7896	7672	1	1	1	1	1	1	1	1	1	7259	8220	6396	6629	1	1	1	1	1	13141	9940	1	1	6586	1	9522	6345	7283	1	6310	6395	7979	6346	6244	6516	6377	6040	1	5783	6663	1	8151	1	6218	1	14365	1	6928	6399	8621	1	11813	12927	5759	1
919.5661@14.025013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12254	81762	376792	13426	12388	599492	68832	132171	208428	34873	27199	16483	20218	13997	14519	22174	148040	110354	48331	32851	93037	45626	37624	174905	47020	9723	16468	38175	193063	20170	119365	170917	25943	13326	96180	27510	12823	77551	58379	52436	1	41132	317581	181168	100458	64595	369106	64817	59420	203005	17339	29322	120711	29757	109185	28035	180629	12952	27810	111110	129503	31291	64685	279286	66646	29758	23955	21497	1	1	23227	22173	27025	22737	21034	56234	98509	17282	17502	17786	27157	28650	126424	14655	22930	12934	343857	257903	77969	48917	86294	98570	35511	19082	107106	91820
> limit nullnullnull 5.037999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16150	12432	10367	9238	9497	1	9611	29847	28955	1	9188	13955	14543	8510	7678	7528	7157	7369	1	25421	20264	30370	27567	10673	9754	23803	22072	26341	30282	10555	1	27659	27384	14260	14464	18568	22821	7603	1	22639	22009	21730	23500	24513	24426
809.652@0.889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19644	18963	28434	29103	39730	36377	32375	34900	27179	26653	28137	26228	25896	22184	20484	16276	31008	28542	19654	16992	18803	18026	26943	31542	22530	23823	30266	33080	24728	22312	36567	34968	23555	27052	28554	34140	32665	30320	27882	23971	12288	13196	24358	21189	33044	38193	20389	18568	18637	18794	13743	12633	15617	16327	13967	13706	19833	19849	14363	14760	16677	17047	11712	12910	18025	15799	20424	18501	16954	16077	14515	13834	17964	18948	17935	21060	12471	13315	29967	29537	13574	12809	18781	18812	16339	13861	18306	17326	13042	13087	16782	15590	13474	13842	13217	11950
224.1047@5.404608	65593	1	34599	15931	29704	1	48470	19341	46325	34193	27942	21878	27378	45817	107723	100485	45902	1	23055	91836	24243	27629	29271	35769	24995	18055	1	25699	29360	39788	61536	74420	55669	71926	1	1	17954	19331	12609	1	23615	59419	35110	28489	82846	63784	32984	18195	10608	23621	1	1	16837	1	13316	1	67452	57553	1	1	1	1	1	1	1	55373	1	1	1	1	1	1	1	1	12918	13813	23565	11350	18081	1	1	54424	32611	29555	17409	1	1	1	1	1	1	1	1	1	18038	1	1	16492	19813	38221	9827	44818	8866	14611	111471	30353	10549	23362	89636	25679	15079	10509	37443	42964	131424	77080	74783	67626	47541	45027	36741	59034	44786	60045	137458	112128	45231	76728	64859	38912	57379	245704	81060	48512	187388	109893	76258	31620	64025	38292	114299	61417	35252	27788	51531	54471	31389	48964	66585	35770	76081	39468	53939	43949	34760	38475	37874	62955	85637	132015	44831	60816	38136	39607	1	1	1	1	36514	21816	11933	1	1	1	1	1	22478	17773	7389	1	1	1	7296	9972	36688	1	60205	23222	1	27222	1	1	1	1	1	19290	26680	1	1	11773	18672	1	1	1	1	1	1	1	22391	9762
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458.1668@3.333146	19132	16939	19597	24435	20432	16785	13204	15076	16619	15887	12915	16496	19518	13349	11938	13186	30744	17291	16138	14335	15704	18980	15376	18742	26934	26908	21565	22695	19191	23574	21280	20396	21726	21733	26132	26140	23783	21324	33687	34404	25230	23170	23550	23302	20259	19690	35767	27627	20745	22701	1	1	47775	37635	30187	26921	35418	33824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14842	14189	19536	16873	16338	19643	18243	18482	16981	16464	15104	17911	15886	13479	13357	11739	13117	13099	14854	15724	13596	14922	17837	19448	14307	15023	16559	15191	16959	15778	18491	18034	11511	15089	17662	15811	14910	14782	16985	15925	10125	9313	14578	14173	15697	15505	14033	14192	13816	14518	15449	13265	16377	16226	16077	15431	13707	13076	13227	15436	31550	29807	16074	14613	20570	22404	24985	20837	22254	23627	15971	16522	13319	11840	20460	19706	14385	15800	16432	16821	22474	22557	13264	14428	22194	20561	22933	18301	18274	19095	20349	19306	20274	23177	18569	16974
C8 H15 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10783	1	1	8300	1	1	1	1	1	14793	13096	1	1	13057	11169	10644	14500	12511	10118	1	46689	1	1	15814	21387	15708	25927	17477	21173	1	1	1	1	1	1	1	1	9290	9515	1	1	1	1	13556	16898	17120	12465	1	1	16080	29345	24629	27135	34688	9001	29520	30107	14360	18893	50768	49232	64080	67338	13803	20979	111820	111018	28121	30567	116609	23693	6870	24756	24411	23460	92106	100897	42219	40645	9819	11482	26164	31293	12677	23394	154880	158601	38744	13282	83196	86058	206015	156409	51739	47733
609.8222@0.84899926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19200	19850	20864	22725	14548	15985	22826	19565	21500	19552	22752	22555	21147	17789	21833	23632	20065	21955	22265	18912	21247	21533	17568	21596	20811	21176	20381	21394	17723	19464	18625	19989	15261	23609	22824	22688	17765	19808	21858	20570	10920	11880	23002	21878	17637	15035	21872	19106	21246	21515	9915	10007	10568	10414	8350	9221	14345	16049	10032	9640	9993	10090	13630	18088	11896	12818	9623	9652	10410	10979	9138	10123	7836	10299	10765	10800	9355	1	11353	10825	8566	10688	10344	8860	11004	11011	9576	8148	17582	14476	6969	8224	8212	6861	9578	10626
186.0509@3.3710015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19460	19121	26403	47638	19947	73694	25128	34493	37585	39059	36638	31890	34874	18259	28278	50506	78148	22158	35390	28530	27397	31589	36143	57942	25430	38231	68979	39202	30776	31494	68880	62531	33058	35503	33207	41405	42877	68081	40339	39045	27876	15045	33942	28379	29974	24528	74891	32722	35353	53376	16096	31598	38488	55965	41499	22664	34490	29030	21897	23316	67260	26622	15426	19861	50899	58164	46691	31372	13909	19691	17369	28678	47960	47992	37873	18829	74587	30361	47361	13229	40396	24930	28440	50592	59568	21332	56897	24655	41233	45072	80834	21761	74104	63230	69477	47109
549.7847@0.8629995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49512	51567	64719	65849	50852	53632	65168	61129	61250	63741	61382	59670	55955	55314	40271	42885	62560	58649	42612	45491	47582	52439	61718	61741	52569	56388	67541	60384	56352	49763	74280	73316	53291	59014	78825	69748	61827	66872	60068	64564	28162	30393	61562	62208	45373	50557	51619	47573	57312	62881	24214	26945	30717	30311	23189	28506	50033	52360	24897	24079	38800	38698	41649	38771	31538	32588	34075	34554	33409	35204	28024	28639	26668	27045	39969	37071	25163	23702	36192	34478	35351	33527	30754	30584	31750	32390	29646	30468	47099	48135	30515	31460	24807	27809	27126	25474
570.3441@13.869002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77301	15213	1	1	14525	1	121426	1	1	1	35871	35726	1	103807	1	1	1	1	73884	1	1	1	27727	1	1	1	1	1	1	1	1	1	23270	1	1	69328	33611	1	1	1	1	1	19725	27907	1	51195
323.0261@1.0680002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7001	1	1	1	8604	6995	1	1	1	1	8252	6293	7792	8843	7185	7341	1	1	1	1	1	1	7721	7180	1	1	1	1	1	1	1	1	8042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16798	16637	1	1	1	1	17214	16070	1	1	1	1	1	1	1	1	16842	15671	1	1	12771	13036	33327	33681	9022	9446
146.0575@3.8750994	1	18915	11485	16600	22735	13258	16878	26159	28157	27703	20376	17882	18779	21201	16770	9109	10053	1	1	1	17563	17539	24401	22247	14418	17209	12822	12347	13598	14351	20070	14087	15999	16400	19807	20030	18275	12333	19897	22413	24409	18902	18814	19770	26816	23294	1	16109	19079	17650	1	1	41060	34733	20089	10127	30703	25055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24240	18618	16979	17081	19063	20502	19458	17071	22896	23284	24202	25188	17743	16814	22039	20482	15297	13793	18216	17753	14884	10132	35186	37266	15062	16865	18615	22394	19599	19807	20775	16445	16785	16611	19096	17141	18937	20386	17591	19082	18387	14621	17750	21004	27571	29720	25943	27590	26801	27070	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11508	1	1	1	1	1	1	1	1	1	23930	1	1	20450	17193	1	20789	24814	1	1
384.1216@1.585	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10389	11918	1	1	19243	20279	1	1	1	1	23867	25151	1	1	1	1	1	1	1	1	15121	14192	1	1	11260	11374	27729	26743	1	1
D-Alanyl-(R)-lactate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7525	6357	1	1	9020	7861	1	1	1	1	1	1	16944	17015	9338	7312	1	1	20768	21107	8723	10519	1	1	7944	8752	1	1	16534	17696	1	1	8885	10396	31188	25930	8357	9685
353.0323@0.8968055	21973	22074	27326	31858	17627	18055	32516	30067	27266	29603	19679	19254	22212	22390	23503	22968	23806	22286	22285	20270	15410	14682	21757	30138	19792	24321	18563	18243	28930	28858	1	1	1	1	1	1	1	1	15064	13481	1	1	1	1	8725	10001	1	1	1	1	1	1	9432	7900	1	1	8982	9640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19379	21137	13117	14159	16332	13431	15671	15204	12631	13344	17601	20137	15215	15070	12024	11854	19557	20594	14639	13419	28298	31051	25014	22557	11568	13261	10937	11728	11110	11677	15875	16825	13313	13406	13713	13253	12925	12409	16271	15048	16690	15367	12978	15577	17609	18219	13136	13252	17614	15040	1	1	1	1	1	1	1	1	7255	9512	1	1	1	1	1	1	1	1	1	1	1	1	12155	10736	1	1	1	7950	8376	9331	1	1	7469	8000	1	1	7929	1	1	1	7936	7981	7764	7120	8167	7808
788.8376@0.8450007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19860	16338	21872	19900	17658	19820	22002	21077	20440	19369	21039	20663	22369	20420	18345	16639	19653	23418	16963	19705	21374	21207	22707	19978	21131	17612	16131	21630	16909	19766	17058	20522	19214	17578	16913	20175	20998	21524	21461	20334	17610	18764	18884	21952	16004	18781	18751	17755	20821	16565	17104	17574	14640	14517	15193	16288	21054	22926	13555	17055	20610	18847	22526	20280	20016	20003	18708	19220	17644	16319	18212	17712	16632	19979	20522	15273	16539	18036	18203	19704	21016	17681	19270	17883	20246	20059	14360	18615	21990	21232	18399	17713	19065	19150	19233	21094
472.2438@11.971992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29407	1	1	1	1	1	1	1	1	1	1	51030	10925	46178	67984	1	35732	79745	81659	1	1	46311	22694	16193	1	10186	95415	55548	45757	14230	23659	61058	51344	26351	24927	1	50752	21533	28682	84785	1	1	1	1	36350	39715	59779	1	8714	1	13188	1	1	1	1	1	1	1	1	240693	144658	1	1	8211	7262	7006	9732	9295	9313	8731	6369	16432	7574	11240	9975	1	1	1	1	13055	9170	9893	1	7940	7318	62600	1	8468	9938	8565	1	81807	19559	1	1
3''-Hydroxy-geranylhydroquinone nullnullnull 9.442817	164245	168588	87162	97420	66139	57274	73182	58285	102830	84846	75413	80469	168397	121614	143282	132927	387190	124629	146488	105009	95535	121778	71100	73985	74325	60822	56883	47830	65352	51444	39286	34472	50570	46187	43927	46508	60511	57227	62768	53085	75336	62128	48475	54087	17556	21553	97594	64538	11773	11605	87491	79778	87142	79157	12660	14617	54720	51365	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55395	54151	68920	73031	78210	73427	65187	58139	56063	53344	43427	37374	35311	32017	46561	50262	41130	34057	45225	49805	52004	53407	75150	69658	24509	22511	24913	23269	23009	27771	55864	51203	31730	27722	19627	17610	48821	51178	28697	26646	113315	118724	37036	32349	30654	42364	26284	27965	46910	55140	36893	41609	37421	36239	10334	17290	13440	12935	45427	50617	81369	81583	77424	43886	42556	38810	29767	26209	29006	26975	42745	41738	52715	49261	81396	71965	24843	17214	26787	25891	47958	52013	44571	33266	32589	31863	75120	29219	1	1	33868	21013	37622	78100	36522	41832
511.8872@13.377995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23399	42001	221977	126814	48604	1	9555	1	56324	16162	1	110466	82317	71748	1	98507	1	69878	38316	1	310619	81712	39939	1	7648	52333	1	28477	86842	1	1	26911	1	71073	1	41809	22063	49630	1	41795	16666	27338	169161	38846	1	13901	227732	70741	119939	158163	29854	49160	66512	14531	31050	45941	33553	1	32677	80606	13618	1	1	13976	1	1	25332	1	14455	84966	19897	1	19882	43661	34323	1	1	22366	41523	1	26112	16712	53881	8136	12360	1	8416	15904	13777	33751	36144	20432	74116	1	1	1
Oxidized Renilla luciferin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9131	7307	1	1	1	1	1	1	12302	10656	19758	18191	1	1	8187	7545	11419	12647	1	1	1	1	16814	17997	1	1	7184	1	1	1	8872	8518	12636	13873	1	1	7464	7262	32120	31407	1	1
499.8999@0.8399996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13298	12125	12329	11018	13315	13036	13935	9670	10981	14183	15965	1	16682	14256	17610	14541	12618	13061	14004	10918	1	1	11529	16341	11102	11998	15150	13909	12242	1	12709	10349	9837	12174	12871	12559	14446	10855	11758	12047	11262	11810	1	15485	16659	16609	12809	1	10703	13718	11729	14418	12997	10931	14384	11729	14146	15206	15579	12977	14932	19651	19147	14887	14541	15373	14533	12162	13499	15215	18896	18426	18915	15703	12632	17492	21659	17417	18614	15382	14869	18244	17129	14786	16580	14403	18502	13576	15772	18147	20359	16983	17063	17418	17960
666.3623@12.790147	95153	74244	116105	89081	102476	101189	123262	94301	98888	104662	98904	104104	95901	85987	77599	67146	82038	68823	64385	64873	85122	89043	117337	118305	137236	144029	110382	142476	124845	152581	143786	102574	105661	117138	155671	131169	153164	143841	114153	108780	102057	102327	135317	109476	114561	93781	99347	100360	105062	85179	160878	102037	96531	141532	124394	118963	107627	124117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59114	35813	39727	57124	41970	37536	46037	45790	46198	56978	41415	42201	34678	57328	64256	63833	45004	42880	60576	43783	51381	43466	53295	62974	56015	49521	44377	52335	48440	49054	50966	43697	46568	41725	46570	52506	39940	45920	46349	50609	47612	51919	43706	47291	42860	44899
552.3369@13.165002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14092	13152	1	1	1	1	7294	8130	1	1	11841	12805	1	1	15795	15570	1	1	1	1	8022	1	15879	17664	7887	10862	1	1	1	1	1	1	1	8615	1	1	40034	31362	1	1	12336	13093	10754	10080	1	1	8207	9654	11384	8373	15694	1	8807	1	9413	1	45545	24198	1	1	1	1	10127	1	1	1	1	1	7286	1	1	1	1	1	1	1	1	1	7503	1	1	1	34437	1	1	1	9832	1	26539	43233	8589	1
480.3309@13.372351	118724	88004	22546	80285	87844	53379	33679	23599	92024	58155	58640	81426	28948	41794	46289	79147	12358	1	1	1	116199	73113	62761	48559	58232	75252	56891	87498	59554	66374	40227	11866	11631	60615	42609	34469	59406	46948	76582	97838	59283	78785	32583	40594	45641	18489	63740	93476	61886	59322	40907	49384	102573	139015	43421	53328	79344	103540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37022	21064	1	1	27513	1	1	1	1	1	34981	49073	56733	41073	54455	20662	1	1	1	1	50627	90548	61714	45143	1	1	42290	90608	27222	26706	47324	1	39577	1	1	37023	29476	16502	1	54017	13366	1	44112	56119	1	1	60379	1	1	1	19116	70786	51664	101165	118244	53920
492.9405@13.382	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67634	1	1	50265	129567	110830	99373	97447	1	1	32747	1	1	1	1	1	1	52799	1	1	1	83714	1	69288	1	65462	1	1	12514	148725	131293	1	1	188338	1	1	14460	162664	1	1	164637	1	1	1	1	1	1	1	15607	46550	43944	85903	22462	1	1	57964	28718	1	22905	29895	15316	1	1	45894	29641	1	26785	1	1	152340	1	50831	1	76112	1	39121	1	150755	1	34056	27272	1	1	1	41961	34869	14427	60905	48996	1	17748	1	65305	15589	17106	1
C42 H36 N2 O2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22451	20944	1	1	17109	17936	1	1	1	1	1	1	21532	21503	29492	31053	1	1	18254	19038	26056	26673	1	1	25411	26662	1	1	18187	18986	1	1	14247	16273	22012	23891	21562	21625
422.163@9.952252	27782	29935	24281	23432	25135	21672	17120	15336	16471	15812	16081	17549	16125	17668	16664	16223	15175	18271	17078	13545	20261	20039	17219	18250	17276	17596	18534	18211	16224	17050	17191	17119	17179	20012	16197	16444	16903	17894	18108	19305	17194	17824	17009	16621	15104	17348	16587	18714	16416	17631	10236	9673	19311	19642	19403	15797	18494	17520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18566	18268	17352	17937	25865	28105	19505	17079	18832	16322	17498	17366	19293	16526	21279	17705	18205	17492	20330	19000	17580	19196	29697	29536	16408	16556	16720	16310	14356	16556	20574	17871	16452	18689	15140	15149	17893	17835	16695	20077	27128	31579	17043	17333	23093	23022	16999	15836	18826	17915	20058	18519	19065	18292	28773	31519	18149	18595	17354	17545	15878	18954	29984	29157	16551	17819	16592	16084	11972	15856	17786	16247	14273	17641	17253	16428	16061	12059	15426	12045	15932	14556	16594	15002	13565	12300	16188	14938	34861	36048	15075	12489	13870	15398	15105	15105
362.1704@10.005974	13531	13251	11290	13106	11497	12357	11005	20267	12829	11306	14577	16076	11870	17619	13367	13347	10035	12213	13807	9418	18803	12822	12633	9533	9422	14913	13798	16008	13574	16619	13899	17405	23161	18575	17367	16684	17629	12415	20892	12846	16079	16827	14150	18146	18946	14055	22749	16130	15464	15659	20488	14968	13106	16773	19774	17241	19408	18104	12679	14647	10746	13932	16328	12041	11970	17316	10333	16709	11801	11237	14467	13321	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	140810	1	11264	15069	10869	11422	18488	12346	14209	11667	13603	12808	10367	11413	10702	11108	13571	1	11201	13393	11931	19346	12231	12203	19470	13477	9335	14898	19044	8661	17157	15070	11836	12056	10303	10606	12720	15069	11789	11160	10518	12801	13948	11439	12032	14416	10585	12654	10084	13561	9388	14696	12919	10267	13636	16274	13729	12045	15421	19465	14400	14129	17372	11962	13228	17520	20754	17500	16433	20819	22672	17088	23355	17927	41478	16450	19216	19383	42191	16189	18646	22406	15640	19717	19300	20218	21495	15857	18121	12529	21985	20630	18248	16866	18316	14496	17687	23616
1130.0726@3.6520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19396	14913	13108	11704	1	1	1	1	1	1	30194	31130	12476	10277	20460	18821	11738	10779	22253	24652	10268	9759	1	1	25769	30340	12655	12226	1	1	16503	16031	1	1	9374	11557	12307	12541	1	1	13835	12572	12916	12229	1	1
405.9177@0.8450006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36080	37995	39825	39570	35273	32371	40559	39031	43146	44577	40883	39387	38146	39703	39730	41162	41192	42679	39266	36699	42685	34650	41930	43628	42135	37354	39045	40808	39043	41123	46147	44912	39834	39810	44091	47513	43082	42431	42640	40793	26797	26211	40486	46529	27118	27972	39239	39531	43936	44494	22558	21502	24462	25594	21235	21075	30241	33473	22425	25859	25222	23378	29682	31354	25971	22593	22579	23584	26239	24171	1	21378	24720	22013	24385	20342	1	1	25561	24452	26300	24568	1	1	19216	26064	23371	23128	36904	37311	25296	1	1	24161	23024	25120
146.0944@5.2193565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	240979	1	1	1	1	1	1	1	1	1	229960	62069	1	1	1	31406	1	1	1	1	1	1	1	1	1	70901	1	1	1	1	38034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	94047	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42257	1	1	1	1	1	1	86427	1	1	1	29441	1	1	1	1	1	1	15637	212338	1	1	1	1	1	1	1	1	1	116626	1	1	1	1	59796	1	40265	1	1	1	1	1	1	1
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C11 H12 N3 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10654	12001	1	1	1	1	1	1	8036	8980	1	1	7171	8064	1	1	10428	9871	1	1	10467	9542	9143	9783	9083	9634	1	1	29428	25901	8973	11714	8559	1	30059	29471	13583	12074	1	1	14046	11336	8867	9865	15628	17619	1	1	16480	21503	24206	25494	12165	11045
841.2224@10.817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7908	1	8773	1	1	1	1	1	1	1	20308	17113	1	7417	1	1	11549	8833	1	1	9745	1	1	1	1	1	1	1	1	1	1	1	9988	1	1	1	27198	1	1	1	12250	7802	24572	30999	8114	7252
142.0991@7.7879977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10255	10690	1	1	16049	19462	1	8490	1	1	13942	9756	8480	1	1	9036	1	1	10681	11761	10066	13523	10531	10456	11887	10345	12393	12370	15133	11420	1	10256	11522	1	1	1	1	1	12431	13588	29410	33069	1	1	18434	15510	12135	1	1	1	1	1	1	1	20165	13851	9376	8869	1	1	1	1	12673	1	1	1	1	1	1	1	1	1	12460	1	1	1	1	1	1	1	1	1	1	1	1	1	17516	1	1	11737	1	1	1	14625	1	1
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495.7226@0.8590005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15607	18701	18298	18152	13847	14797	18657	19176	17239	14573	15656	18081	17649	18235	16877	21630	15933	19657	17567	19232	17055	20774	17450	18168	17165	17814	18893	19728	18511	17768	17185	19096	18123	15800	20415	15414	18184	21338	18161	19287	12601	11782	16347	16759	15305	16630	18153	18399	15422	18267	1	10896	10154	1	1	1	11687	11214	10002	10014	8576	1	12371	13857	1	9356	1	1	1	1	9495	11681	11851	12609	1	9481	11523	11896	10774	14456	11109	1	11284	8715	9780	10860	9756	11108	1	12420	10891	11150	11287	9603	11558	11016
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196.1096@6.518182	1	40293	20115	15912	56652	1	26691	26953	1	22478	20904	1	1	16655	14438	18773	1	1	1	27289	25122	1	1	1	15942	1	41695	20729	1	1	28685	21340	26533	37930	1	1	26117	1	25573	21637	34700	27351	24085	1	36175	34704	31256	27025	24081	42247	58687	70143	17580	32812	19477	1	29131	32547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74108	70186	102222	164963	53453	77151	161016	44658	38856	154926	171155	29896	146603	69608	169495	157995	59265	157700	166588	29722	56062	66211	43345	51897	141135	79472	166500	100781	94741	163808	121371	26921	20049	16240	148012	146448	155087	155544	87598	105837	50177	97018	39715	75136	170126	110114	82075	20564	12698	1	1	177845	27587	90615	41492	1	86139	54681	203002	196424	1	38317	1	1	63087	1	1	1	192344	35992	37204	134200	70289	31407	52024	1	42109	33334	32508	1	117540	1	144890	27944	41564	117217	38996	120681	126078	90135	36696	55369	36931	99510	55425	41242
8-epi-15-E2c-IsoP	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10939	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7808	8723	1	1	1	1	1	1	1	1	1	1	1	1	27579	28112	1	1	14595	11643	1	1	1	1	1	1	1	1	25401	23030	10334	8499	17515	14748	37635	45414	1	1	26157	27526	1	1	19719	18964	1	1	22993	21514	11682	10797	27235	26641
759.7452@0.8460005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22364	26719	24828	20649	15321	14186	21415	23919	24074	21870	21132	27270	19197	23264	23498	21224	21129	24263	23508	26917	25179	26781	23837	25606	27985	24355	18999	23611	22275	21876	23371	20955	18156	22540	21596	22007	22140	26077	22836	22644	14729	13138	23895	20037	17065	15715	24302	23246	21333	23463	11266	6545	11649	10627	6475	7462	14730	11404	13633	8328	10234	9981	18007	13901	11950	11068	8119	9730	10777	10266	12148	10407	11359	11469	10776	12961	13542	11180	8039	10208	10892	10451	12774	11303	10891	10276	9326	6617	14223	12199	7235	10917	7573	1	13356	10447
298.0899@1.2770003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7875	8300	8026	6659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7980	7241	1	1	8737	6585	1	1	6650	7129	1	1	1	1	6660	6998	1	1	28202	28233	1	1	6955	9153	1	1	1	1	1	1	13525	13295	6324	1	1	1	7596	6426	1	1	1	1	1	7366	1	1	10193	9125	1	1	12273	12487	1	1	15224	16486
719.8474@0.84400105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27518	25919	21292	22567	16753	18483	24710	20572	27837	27279	25948	24712	24973	25730	22533	19154	22319	26769	23180	20488	25139	26904	26698	23278	25858	21289	23390	24544	25448	25197	26990	28199	26500	21514	23655	27818	26445	21029	22872	30647	17164	12217	32014	31131	19662	16444	27649	24728	27649	30117	13559	15400	17570	16582	15125	15297	23860	25351	12290	12083	18173	16663	21747	23200	18582	15370	17743	15515	19643	19127	15135	15380	13803	14559	19199	16978	12693	13756	14856	14185	15799	19045	13525	13127	16234	19808	14944	16660	24520	24017	13079	14624	14433	13424	17096	13976
C14 H Cl N2 O6 S4	61955	57089	62966	52615	71419	69026	62554	56019	81687	72227	71933	68894	69162	72677	39413	40824	68557	73858	56766	58364	61787	63360	34181	40523	77039	90377	59311	61378	42646	39701	87012	86841	118838	114995	101672	103762	102697	103432	68947	67136	97447	101676	65243	69513	42974	42342	63229	63765	74882	84377	29501	38800	65248	68140	126326	125743	120608	122757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25025	21417	22394	23133	18303	14321	24056	24232	19748	20909	23950	20888	23925	25158	24106	23544	22429	24865	27883	25232	30071	23709	28083	24557	25683	26475	24922	22728	22142	27596	26172	21185	23868	22173	22459	24913	28945	21758	19685	22918	15986	14028	20321	21867	20053	17933	23813	21477	24742	23250	9235	11358	10003	11017	11838	10521	10063	10937	14554	14001	7478	9569	15251	15845	9631	7843	11619	9118	8265	8547	8395	10727	18271	15342	8160	9617	8027	8538	16206	16025	11449	10586	11448	12675	8575	10334	11658	10463	14658	14759	11599	10798	8920	9680	11995	11129
313.1023@3.1029978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	313145	296085	257823	258652	241791	63454	324661	332606	62655	60444	298022	310566	60931	60680	199103	60215	563455	571209	348603	350471	207274	48383	338107	338426	309988	313892	64961	42819	293923	283221	206793	208346	254389	255960	145654	55844	55273	54642	199255	40982	41787	160022	280760	284467	354275	444569	46398	235855	262443	254599	103151	32881	105385	37068	95926	99422	95852	53242	113468	114448	97592	89322	158323	158574	47831	105653	165331	151959	36155	104667	173649	191185	195964	188109	139494	24088	208557	194051	191933	189365	43033	38740	166949	169481	40639	104657	179439	184621	115868	106766	160051	159690	216050	199431	166567	171567
202.1567@8.65606	1	74699	215248	1	1	74028	128892	113687	1	1	212320	69218	1	68739	174947	1	1	1	1	45220	1	51489	1	1	1	143520	1	199993	1	1	209282	205782	209659	30947	1	1	1	1	206761	1	206834	107769	189156	34677	196158	1	190465	223118	196798	231052	1	130425	1	32391	272960	262300	1	90343	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	93496	90873	145820	95726	224558	118486	113672	75099	58235	1	143629	217024	231926	48690	256181	265774	91176	214860	149559	1	169709	168041	97190	143136	241496	1	244192	147344	209232	216334	175070	103464	154058	15568	1	139965	1	59352	218407	1	238133	188715	220832	218424	92132	209255	64340	233868	28530	40734	1	100368	138240	59200	98231	64825	112275	135923	75749	1	197892	253688	68999	125124	215649	84496	207121	168847	239636	1	252890	228903	239902	250763	1	226137	217750	63316	54152	204773	121020	66672	82103	246653	93954	1	220709	1	211469	248073	75913	215015	253645	274798
1109.7471@0.84075123	46048	51263	50234	44537	49535	49206	42237	43444	50547	48631	43140	49695	53590	53108	41373	40858	47995	44176	45400	40657	42443	46694	43831	46380	50201	57274	53877	48027	49095	46703	41602	36424	35974	42204	42769	31280	44843	35765	41596	38182	44341	43248	39624	36093	37190	36862	36195	39997	37325	32251	31994	28638	51760	47025	36894	46582	39638	43871	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18331	17784	19630	15972	18562	18397	20184	19807	15827	17138	21636	20586	18488	22937	20643	20946	19182	20040	20815	16758	20271	18811	18727	17289	20966	18321	19112	20326	19109	19915	19275	18859	20262	16379	17034	13889	20680	18655	17888	19273	18865	17782	15735	16139	16503	19628	19844	18022	19560	19057	16864	19292	14557	17314	15895	14787	15266	16664	16717	18484	15878	16449	20579	22318	20131	15922	18267	16265	14385	12836	17042	17882	20451	19823	19887	16187	17522	18378	21374	20379	17281	17081	19558	17650	16831	15747	19540	16980	19113	16644	20101	17766	16267	18681	20492	18303
515.7711@0.8619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19113	24367	17671	18086	12317	11421	21850	17016	20266	18412	18431	22163	18400	18755	19796	21888	22363	21082	21338	23616	21817	23358	20820	22863	20523	17953	19953	27089	21490	21337	17228	21732	20858	16930	19678	20541	19142	19857	19523	21195	16671	16682	21853	20900	10761	12332	22804	23460	18020	21894	14831	16295	15084	15554	15303	17122	15645	16335	12968	18177	14126	15333	13621	15902	19433	19153	9604	12533	17077	19378	11995	1	10461	10623	13322	14698	9543	14063	10232	1	17224	20727	12342	13713	15600	18053	10591	10153	23684	20669	14217	1	1	1	10712	14718
328.2562@13.373001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7359	8870	8132	7436	8008	7375	7800	7406	5332	6112	7725	9488	5934	6677	9371	8948	8451	7708	10811	9706	8377	7764	6113	8412	7472	10213	9790	11832	7740	9504	6402	7441	7539	8108	7460	6145	8990	8119	7875	7742	12063	12572	8367	6391	10278	10284	10016	11125	7802	8222	13219	13939	17374	14182	11367	10378	10070	10410	12098	10649	30041	26316	14377	10656	9593	9520	15035	13207	9373	9805	11361	8627	12028	10586	10561	10074	11391	9659	10137	9532	9464	10369	12378	10167	14149	7928	28715	10070	9703	9150	13850	9424	17826	12865	13184	10663
L-Methionine S-oxide nullnullnull 0.9329993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9886	9350	13850	14921	12467	14580	24780	25997	1	1	8722	9459	19579	20667	13065	11219	11893	11832	8659	12148	14855	13302	9005	10466	17326	17977	9754	10280	21262	20742	8648	8144	18222	18081	11457	10388	9771	9180	8483	8827	15504	17121	1	8263	14090	15561	10720	10930	14609	15261	1	1	1	9870	70299	67852	51199	54387	135257	143042	11897	11566	25957	23226	1	1	1	1	1	1	52735	54130	220506	221648	1	1	66437	62469	134215	129991	1	1	118566	125360	1	1	39685	37604	52636	50248	55931	54869	16414	19737	124349	115393
977.1976@10.817998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7241	1	9085	1	1	1	1	1	1	1	20558	15956	8433	8286	1	1	11138	1	1	1	8413	7381	1	1	1	1	1	1	1	1	1	1	8263	1	1	1	27153	1	1	1	12700	8347	22617	30379	7662	6445
841.797@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31487	32280	27825	38348	26122	21589	32304	20558	33810	40803	34599	34309	30607	33916	31876	32131	31799	29472	31641	31902	30836	34010	31836	33621	30067	30785	34898	32182	23186	33244	34983	34174	37999	32635	32630	35779	35572	33186	35587	32795	25827	23774	22868	28543	24184	25709	26053	24964	36918	33449	25298	31110	23183	34023	28947	27552	28368	40452	26216	26109	23756	20529	24513	25702	28303	24707	26922	25456	28645	28006	29590	32091	32396	32436	26901	27591	34283	30786	31280	32010	29002	29461	32372	27768	26768	32092	34241	30523	31535	34016	35228	30096	32556	35754	26724	31431
C16 H Cl N2 O13 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48159	48758	66053	60907	68777	71866	66830	69847	56468	56567	65075	60459	59514	57284	48658	48270	58409	61344	46606	44574	51424	46379	65991	63073	57828	52648	66520	75937	51760	52084	71597	73223	53289	53959	65675	63881	70175	69385	65324	60643	35617	37653	51770	56928	64580	53527	48908	49772	43213	44107	29954	26834	39055	39782	30439	30105	49036	48227	38152	38446	44025	46957	38577	39372	40893	36368	41892	44290	39639	42403	40704	36531	43074	42477	45065	49616	37480	34184	53102	56409	37432	36357	47006	44470	38950	36643	34139	33137	35693	45169	37952	35400	26174	30373	30339	35470
380.1643@10.514957	60217	118426	128352	68635	105194	107972	59701	54619	112297	113103	87332	55497	59695	110164	103893	101944	52304	106280	100002	104117	54601	103877	103810	120427	141874	135560	134130	139834	123248	70859	117035	115830	118717	124875	71009	124016	124777	114044	127668	73460	114069	130949	116050	121699	112904	112246	116875	126698	107389	135031	142293	134856	78775	85183	142042	71514	134595	138219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22787	21859	16458	1	1	1	1	1	1	1	1	1	1	1	1	17675	20626	20293	24931	1	1	1	1	1	1	1	1	1	23142	29298	1	1	1	1	1	1	22418	1	27929	26864	1	1	1	1	17097	18978	59688	59301	32939	67020	45108	78203	65177	62025	65607	61548	49983	27737	64132	69540	59129	59863	63615	58550	63788	61092	65424	61026	59728	61557	55561	61132	60725	58350	62242	65256	61390	63387	37968	65882	57654	57792	71818	62319	67637	65519	64010	66269	68157	63848	67842	63459
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703.7415@0.8629995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22116	17762	22733	24895	26958	22645	27878	30829	20096	22629	29445	26847	28303	27049	22080	25005	25409	29513	21859	21464	23538	23623	27684	28287	26007	24914	30933	31547	24623	27007	28718	26488	23598	25088	25026	24234	28592	31282	25378	25494	19960	19398	21345	19574	28172	27676	24480	27621	18391	22659	13565	13647	13617	14238	13620	12127	18560	18538	16968	16519	17503	17865	19136	20997	15769	14419	17076	17386	12899	12501	16732	17205	16968	20226	16851	17653	16783	16440	23031	22761	12798	13072	18416	17149	14905	16592	17717	16423	15037	15163	19726	16296	15114	17943	18936	17100
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Naphthyl-2-methyl-succinyl-CoA	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10055	9053	10845	8812	1	1	1	1	9782	8077	22154	18053	9197	1	7916	8578	14931	11747	1	1	14138	13535	1	1	9171	10897	10424	12621	7084	7933	8834	8041	10310	8016	9628	10951	24137	9562	1	1	17212	13517	24051	30481	13447	10887
421.7755@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22674	20775	24253	21730	12734	14072	23312	23173	20093	21539	24125	23748	22783	22510	20460	21472	22358	21665	22487	21807	21949	21604	21957	25449	23270	21617	24787	21697	24170	23049	26033	24519	21381	23954	22279	25698	19835	22412	22587	24916	13423	14286	23367	22147	14638	13379	22853	20729	24780	20243	7011	9696	10360	10657	10060	8819	14537	14049	10222	10118	9629	9849	15222	15965	10185	12605	10294	9029	11297	9932	9368	8276	10514	10593	10017	9654	10105	8611	11365	12100	12024	11086	9669	10763	10333	11130	9572	9493	14873	17948	10220	9578	8269	8100	11126	12065
1070.2585@7.6510005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10616	12332	14888	13582	1	1	1	1	1	1	19916	20393	11817	11195	19869	21490	19668	18691	17072	15252	15960	16339	1	1	16970	15413	14970	16134	1	1	20986	20315	1	1	28383	25039	16465	16371	1	1	13907	13960	26391	28285	1	1
403.7849@0.8619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20334	14307	20580	22665	13823	13880	19009	18735	20839	22487	18536	20197	16880	16669	17789	19927	17223	21156	19406	18123	19509	19159	18120	23105	20238	15375	20148	19638	15990	19172	23371	24383	20460	19409	23825	27267	21129	20707	20638	19713	8080	10073	24414	22311	9524	11605	20070	18728	26320	21207	8191	7076	8381	10331	6665	7019	17903	14995	6191	7392	10554	9765	17509	15391	11978	11824	8696	9474	11005	11098	8619	8299	6829	1	11180	11033	6455	6878	7711	7878	9556	12002	5626	6355	11770	8345	8097	7499	19111	23655	6594	9340	5874	6557	5717	6432
440.1086@3.9360006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26735	27230	1	1	9693	11247	1	1	15348	17354	8900	11692	1	1	1	1	1	1	1	1	17709	15273	7338	7758	8853	10117	20184	20861	1	1
529.8077@0.85299975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21741	19598	23755	20515	13818	13779	20904	20141	22882	18515	19738	22140	19801	20447	17465	17897	21732	21951	17917	18015	19543	22200	20139	19258	20094	20572	17897	19551	17819	21404	21564	23638	20335	17146	23765	22150	19875	20486	20744	20130	11796	11136	26405	23099	12015	13377	19427	20777	20392	23304	7647	7206	11267	9515	8783	8501	14261	15241	8182	8760	8275	10119	16114	15372	13340	10924	8065	7734	11022	11815	7534	7877	6231	7337	9145	9296	7325	6917	11768	8581	11435	11844	1	6676	9659	13126	7258	6435	14291	13255	8454	7781	5700	1	7204	7277
411.1438@8.239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11986	11794	1	6748	1	1	1	1	1	1	17577	16797	1	1	22928	24024	11723	12002	8650	8556	24705	26211	8609	7448	12787	14314	16177	15633	7237	10283	11256	12475	6540	1	23221	22895	12433	11610	1	1	16588	17323	17569	18653	8008	8588
987.7918@0.8410004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18933	20359	24563	20035	22540	18870	21809	21919	23264	24387	21322	18465	23892	22624	17815	18767	26358	23062	20882	18938	20213	19686	25849	23710	23433	23010	21176	22303	19065	19534	24203	25411	23175	23797	25956	23073	23551	24310	17193	22555	20411	16112	22848	23518	21602	18223	21180	23097	21623	21698	21040	18322	19295	20530	15080	17671	23295	23216	16247	16934	21259	21489	24966	25069	16732	18668	20477	19174	21102	21954	17941	22547	19325	17800	22419	20689	16614	23111	19182	20705	21714	20989	19788	18532	18183	20056	20621	21922	21822	21041	19330	19438	19489	19610	18150	20177
228.0982@6.6309166	1	46814	41845	1	42500	37851	1	38569	36450	45821	1	45636	26980	33088	1	48810	1	35898	1	1	39318	1	34546	34513	1	45296	1	34455	69994	46334	1	37843	1	38800	43975	1	26216	37645	35951	1	38816	48662	32692	1	27465	46403	30357	36754	72343	1	185170	52591	33646	55887	50757	62740	1	50637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30011	1	38085	40474	49492	1	41219	1	53544	35627	37191	47440	37756	39129	37765	33171	39548	32134	34093	38759	70232	121992	64281	51440	55450	31554	27789	1	1	40981	53815	46175	27308	36747	28977	1	41233	1	33289	34901	42545	39853	40782	56061	31715	50426	45224	41707	33753	51364	32444	46776	58918	50823	51662	55094	1	1	62517	63540	54521	1	55215	43496	47577	98461	114054	159731	1	24056	66457	43532	63626	50327	61939	148006	1	48303	43892	88936	52216	109221	52818	1	57039	55150	62241	73721	1	1	55943	54807	66520	59447	134572	50705
242.0404@1.6268009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56921	173026	229221	237280	204605	172525	145515	130151	101497	75992	87832	73728	50834	44941	42680	37789	1	15857	15823	11764	1	1	1	1	1	1	1	1	14675	16943	19438	17378	23214	25101	25076	23214	24427	31005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24010	22493	23586	27174	22313	22926	29536	22351	31569	23511	26450	23987	23318	23010	15892	16855	22246	22116	22785	19364	65903	70482	62483	77779	21047	20623	27109	68952	76584	25704	21018	23375	27382	21675	20982	18842	88202	20948	18849	19573	25658	25355	28999	29685	25605	22028
290.0247@0.79000044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15301	17115	15590	14759	17461	16295	18512	19420	17417	18234	18124	17134	17462	17737	9330	7879	7597	7103	7841	7868	7792	1	1	7298	8690	8127	1	1	8041	9070	8107	8638	1	7036	7762	10282	7420	1	8566	7765	8151	1	1	8894	7126	7077
166.0982@8.931919	39730	45513	18477	18887	16738	17296	31418	29138	24940	21297	18944	21195	21621	20360	24013	13025	21292	19411	14155	10973	27329	26638	26548	27578	1	1	11976	1	27805	27915	27787	18045	33557	30771	10417	12131	21116	17632	23584	26390	25168	26120	25989	20594	17633	16253	18227	17398	25041	30469	1	1	21900	17384	17867	17084	11798	20117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14459	20619	1	1	16254	14923	1	1	13937	14257	33342	34073	34003	35731	1	1	16886	15021	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9433	9415	1	12543	7489	9636	7770	9139	11234	11453	16841	13657	16627	19330	11823	12270	12949	11772	12069	13501	13566	14415	12424	11521	13896	12320	16655	14396	14002	12773	10686	10485	9494	8422	10710	13192
451.3652@12.828002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19408	16028	17169	19078	20106	18869	15200	16329	17718	15758	20508	18820	15966	15860	18939	17936	19190	13447	17077	20088	18192	19121	19926	16882	15887	20312	17472	16741	16730	18422	19537	20460	18371	16635	18655	17045	18097	18250	16116	18079	16067	20796	18456	16492	17393	17250
827.3949@0.8677519	15831	11545	14085	15581	16188	16934	14628	10477	16928	12051	16157	15739	15808	16447	13483	12255	14729	14794	13400	14551	16065	16101	15351	9663	16732	13899	13200	14743	16341	14239	1	7384	7979	6547	1	6146	1	6020	7836	10396	5675	1	1	7038	5857	1	7053	9724	6333	1	1	1	1	10291	7092	7289	7029	7946	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29775	30195	33201	33431	24195	22045	31522	29653	34997	36087	31879	32480	31786	32450	33853	31174	33235	33830	32176	34505	29806	31716	35006	29672	30628	33853	35982	31932	34768	34056	34254	36255	34160	34330	37090	40295	30895	34252	35879	33816	23329	19990	37549	39385	21805	20563	31209	31583	32603	35639	24830	25199	28884	28913	23387	21941	39503	38490	21053	20044	29076	29855	37337	38955	30915	30676	31592	32750	35307	31174	24802	24916	26046	26288	29555	28133	21607	23644	27303	27306	31726	32984	22111	21875	33519	30323	26245	24158	47878	49175	25476	27098	23925	24741	21894	24727
541.8412@0.852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18369	13234	17474	16533	9080	9583	17138	17557	15978	15058	14925	15024	15371	15672	18460	13356	13984	18440	13627	13518	18504	15237	16080	16253	16193	17019	15098	13591	17101	14488	18906	17910	17275	16686	15952	19709	17736	15741	16024	16279	8897	9399	17200	15657	9844	10884	15640	16299	17351	15688	7689	6023	9706	9118	6696	5390	12254	12632	7131	6485	8119	8580	9415	11588	9154	9272	8231	6977	9506	9773	7179	6066	7959	7099	9769	7718	7479	1	1	8181	9493	9140	5966	7518	10745	10857	7419	1	13435	15001	7169	6247	1	1	8139	7537
194.0007@0.93556696	48912	23880	30796	27860	24564	19370	33079	25864	31006	34180	23166	18139	25845	83561	70943	40033	37487	28676	31019	24467	18308	83584	31557	29739	55991	30289	28522	26831	29944	35169	47035	54449	52363	55181	53919	50748	52398	59194	54386	54518	47609	43468	40380	40512	30680	30956	48035	49273	42322	45727	42609	37297	58301	53589	61060	58823	65090	64790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49373	53340	124485	52418	127305	59216	62141	139464	45917	40170	90059	50395	49019	51483	49358	106091	129429	134062	110013	97137	48464	50520	62284	59606	51797	47570	60431	30024	49043	48479	57115	59428	41451	43996	54790	52573	1	61388	49954	128811	42729	1	45931	44757	141431	138034	107299	51097	109880	42214	26721	23875	22947	20573	32923	23867	30182	27546	71646	11423	47237	42521	31102	29644	25344	15593	25055	17974	25253	23765	1	1	31042	36523	24058	20665	30571	21567	34961	78330	25648	17151	28239	39339	19761	20312	52567	32986	26102	27067	73240	1	28568	41933	1	32422
565.3362@12.668011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52651	107799	85183	86481	118419	108994	92275	96051	24489	22225	135622	126720	134292	113091	153330	163281	69730	72167	203145	209936	63383	53607	57611	52432	147392	118711	202528	228265	182911	169089	34995	27900	100686	100725	21090	1	82861	109903	71440	64840	436712	361105	29831	18991	190811	195055	206445	208036	33692	25992	74686	82783	68360	63258	62082	43870	25492	1	54917	16514	312845	250748	30291	1	20482	16835	62713	36858	28336	23465	40056	1	52230	16905	41270	31554	24626	22813	17964	1	34391	45371	50483	1	29602	26697	267369	21951	1	1	57888	23741	94568	149182	45631	17999
280.0788@1.2594092	27395	24912	8324	8821	1	1	1	10978	10304	14474	1	1	12613	13682	14562	13690	10051	11836	13182	12844	10515	7128	9078	1	1	7667	14145	6645	1	1	8498	7922	11540	13841	14017	13829	10654	9940	12592	13439	13453	12976	10082	9901	6575	6519	10560	11429	1	1	1	1	19909	20122	1	1	11617	9552	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7006	1	1	1	1	1	7864	8581	1	7996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7892	1	1	7607	8153	1	1	8323	7451	1	1	7926	8882	1	1	8025	7997	1	1	1	1	6782	5891	1	1	25135	23779	1	1	8247	7591	1	1	1	1	1	1	14314	14017	7938	7344	1	1	7565	7325	6154	1	1	1	7223	7975	1	1	10090	9915	1	1	12282	12191	1	7170	15577	13880
737.8088@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25295	22811	18301	20396	13316	15032	20611	21677	23132	21575	21236	22722	21546	15126	20816	22645	25426	25610	23004	24081	21679	20152	20168	20067	18427	20373	21952	20270	20770	23432	20902	23811	20299	19991	22705	21238	20887	26086	22809	23382	16566	17746	21356	25139	15500	14342	25435	18426	22626	22529	9728	10936	13866	14262	10443	9219	11487	12882	12844	15366	10453	10150	20146	17151	13254	13661	9705	12927	11437	8506	14421	8806	13150	13290	10102	10717	14257	9171	14586	13255	9228	13224	11601	10803	11624	12250	12435	15444	16437	16983	13323	14123	13088	9863	13903	12475
1399.7336@0.83899975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26592	27822	26727	26287	22793	22780	25456	24778	27555	26988	27054	25034	24585	28171	28875	26735	25859	24807	27892	23991	27511	28501	26236	25678	27851	27527	24368	23902	27803	26708	26585	26207	26028	27592	24688	26707	22666	28307	28272	23866	23355	19880	26854	27157	21834	22214	25516	25252	26354	23181	23205	21235	24275	23591	23457	22332	27375	25056	20837	20667	26422	24960	26573	27638	26525	27737	28546	21925	23674	24238	21435	20376	19945	19362	25017	24077	21668	20691	21286	20270	25669	23939	19347	21269	24908	25934	22199	21287	26028	27593	24184	20940	19655	20209	22662	22344
Dimethyl suberate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11478	10963	12128	13580	14640	10790	13033	12529	12665	13050	13633	13328	11198	16219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7741	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	137781	1	7976	7740	17912	1	11053	12601	11262	8410	12754	11720	9767	12360	9771	8821	8742	11390	9670	8681	10448	10179	11555	10800	13882	13774	9871	12997	9238	8999	12621	9488	12546	9922	9276	9277	7603	12250	11369	10212	11086	10166	13325	10875	9430	9467	13733	16436	16818	12086	12347	16232	16215	16216	13031	15098	13495	11264	11500	12034	11298	8941	17036	18956	12445	16153	19687	22981	23384	21952	23248	21973	21647	22852	13822	16241	20149	21629	21978	20969	15685	13817	22242	20297	15341	15993	18277	19903	19783	20835	15847	18990	24208	22917	24935	24873	15756	17747
359.2123@9.822999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10275	14374	20434	18161	19184	19628	1	1	11751	20369	27679	22593	51412	51641	15083	18254	25407	29400	1	1	106745	97842	1	1	14458	14609	122759	113565	17857	1	16048	11648	12187	1	12437	11391	166727	114465	1	1	108973	106202	166601	197645	57062	47043
492.8101@0.885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30302	23104	34899	34841	42563	42972	40853	41556	29803	31905	36341	34307	31150	30057	20161	25199	34142	30855	22796	23459	25493	25993	34561	35627	26293	26807	40263	40730	28595	26253	41217	39107	31308	27872	39523	36918	39531	39908	30687	25708	15438	18509	28864	31299	35922	35711	23653	25006	24877	22715	15693	14345	21448	19476	17124	17939	28964	29413	16815	20105	24722	23967	18913	20666	21443	19059	24129	24420	23047	21612	21280	17394	26142	20044	25667	27321	15625	14533	31061	32486	22382	21100	24647	23821	18756	19298	21673	20681	16452	15301	20935	20558	15956	15972	17361	16571
317.0489@1.5720003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20311	19524	9154	7186	1	1	26500	24787	7827	7493	1	1	1	1	1	1	13854	11327	1	1	16747	18574	20603	23425	1	7603
579.3178@9.108531	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8003	7907	1	1	1	1	15925	14479	39363	15628	9279	8788	1	1	1	1	1	1	1	1	1	1	1	1	1	7488	7706	8663	12920	14122	7492	8043	13476	10105	1	1	12668	10503	6981	8001	24538	10306	1	1	1	1	13482	12228	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15486	16339	1	1	13649	10256	1	1	1	1	1	1	1	1	8662	9911	1	1	12356	9553	18297	13112	12624	9941	1	1	1	1	1	1	6569	1	17092	14262	1	1	1	1	1	1	1	1	9617	1	1	1	21415	1	1	1	1	1	1	12859	11957	9015
311.0439@4.298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26293	26470	1	1	1	1	19328	18961	11562	11238	1	1	1	1	1	1	19271	23971	1	1	11588	11742	19693	20683	8074	8513
282.1462@6.5380874	33429	17341	23455	31280	17354	16334	12839	49293	40899	44738	29629	15509	23729	101617	21357	24554	47367	55285	28848	41268	37273	19530	22894	16900	20733	23732	21877	17434	41655	17964	23790	17118	17027	27856	23218	28292	24243	21215	27868	22231	22785	11794	17823	23295	27028	36956	25964	19304	9944	1	1	1	21118	26019	16022	21956	34342	35557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28637	18421	1	1	22402	18430	1	1	18534	16287	10557	9770	22293	18018	8290	13434	13675	16378	1	1	1	1	1	1	11130	9332	23899	1	1	1	1	1	1	1	1	1	1	1	1	14468	1	1	10925	10109	13237	12629	11611	16379	1	11096	1	1	1	1	1	14793	1	1	1	1	1	1	1	1	10726	14408	1	42817	11225	12561	12470	1	1	1
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625.3591@11.989993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	130943	184650	186065	173071	129992	97770	172731	157644	88330	77427	259080	251705	253305	252039	353122	336611	173466	169364	345460	349119	173214	161878	117670	119419	271422	220166	428990	500190	280763	294307	101798	98713	232763	250932	82277	69699	169549	194774	191400	186475	300990	248285	78726	71314	184040	207091	266346	214692	102251	95956	130041	124974	127506	84787	146973	100007	78510	52773	130676	46869	517037	403776	70556	34197	39385	26767	90219	55537	40303	38033	91075	23399	165226	68178	74516	58583	58181	52435	42498	26548	70340	65599	136485	32362	43986	42031	537491	44429	29776	20277	90782	38105	190786	369455	91797	43758
361.063@0.9090002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25220	25880	18186	15247	25825	23427	16209	16534	14765	15371	21242	19202	20444	18042	12288	11118	23452	27243	15856	17466	36554	38725	30065	30894	13165	15992	16017	15475	10940	10852	18303	24661	14677	14274	15563	17135	15705	15645	16310	16805	21744	24383	15761	12331	29404	30996	14325	12681	21903	17790	1	1	1	1	1	1	7973	8548	10952	10807	1	1	1	1	1	1	1	1	1	1	10812	13540	14475	14358	1	1	12762	12123	13196	13783	8504	1	12826	10849	8810	1	10771	9436	1	1	11947	12700	14101	12571	12455	10097
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284.1987@10.019999:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24695	20476	64431	67130	66733	62889	23790	24712	1	1	62684	63518	73130	76714	42627	43663	53245	47159	46272	43990	185705	178019	1	1	46798	42015	167092	170801	1	1	31305	47647	1	1	37939	39100	186213	146637	23145	18571	160532	152298	245097	258060	62902	61178
C13 H14 N11 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28644	31372	1	10649	51778	48422	18096	19536	27461	30570	1	19770	17905	18717	35397	34753	1	27383	23186	24297	42411	38485	36838	34562	23307	23726	12496	10443	36079	31614	28315	30333	15896	24626	52275	48299	32266	1	42918	41143	71766	69397	56687	57625	35387	39515	18438	19754	67221	66675	34098	31915	1	45831	29831	30036	18890	17703	5707883	5685945	38421	38745	46497	45425	26520	24964	54002	52269	18926	18101	25164	24897	65196	55793	46831	45887	20736	21455	24736	28209	21182	24248	39030	35987	19416	19435	23876	21820	47517	45731	19440	19115	1	22835	740435	739876
596.67@0.85900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18396	18835	26036	19483	16119	16844	22896	20667	23714	24068	20588	23913	20473	19538	19323	20959	21185	19412	23872	19295	18353	21889	21908	23093	24959	20413	21158	25638	23848	23209	19756	31379	20249	23468	18175	21760	32233	21870	21673	26062	16664	15010	23900	17281	17088	17482	27225	23017	27155	18904	1	9151	16385	7647	10604	1	20604	10992	16109	15411	8950	9559	16372	19087	17817	7940	12943	1	15532	1	11396	17745	12560	14122	11163	17980	12739	14389	14784	17074	10167	8924	12046	12749	17612	10938	22587	13007	14813	15225	15323	11687	14272	15243	10814	13979
567.6052@0.86199963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15886	12754	15788	16420	10770	10007	15526	16565	16712	18006	15904	17010	16524	13819	14002	13535	19849	14411	14072	14687	15147	13943	18548	17373	16667	16850	14174	15318	16678	14864	20299	19032	14294	14128	17331	18931	15831	16071	17539	19441	1	1	18969	17793	6901	11659	15339	13228	16624	14358	7422	10558	8130	6773	6499	7588	11578	11853	1	1	8008	10005	11847	12535	8502	9905	10294	10103	11429	12691	1	7239	1	7455	9389	8535	1	7403	8387	1	10684	8138	7536	7165	12102	9179	8017	7283	13500	12512	6823	8382	1	1	8009	1
645.7726@0.8539992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20292	19239	22205	22323	22220	19060	23445	22917	18477	16353	23884	23184	23108	25519	27385	22977	21700	23106	25643	24840	21777	22351	22866	23239	23401	26420	27778	25400	21588	19706	18857	21801	20883	19246	19247	19726	26473	26383	21964	19874	20230	20227	16934	17975	26526	23788	22786	23511	17422	18868	13864	11963	12441	13694	13937	12751	15918	16302	13718	18359	16023	16319	18991	19205	14323	13306	15627	15361	11291	14019	16663	19837	19919	17046	15389	16699	19822	16460	20495	20574	14079	16215	16748	18892	15611	13590	20601	20210	16515	17324	18950	18088	19137	20527	17436	16129
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C11 H18 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26345	1	1	1	1	1	1	1	1	18922	1	97842	104443	130647	141294	68082	59588	55759	48179	114313	115178	92253	98912	58095	46564	66928	70613	132116	145284	32611	29486	29317	29596	155208	162203	25314	27774	133636	134944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22199	23935	1	1	1	1	1	1	1	1	1	1	10835	1	31428	26455	1	1	1	12966	24970	33512	1	1	34080	26001	1	1	10266	19898	1	1	13008	13600	17294	11112	18432	20832
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471.8484@0.8507526	104004	107499	113025	110509	114051	105118	99386	103325	99429	121559	113071	92174	118657	110477	92079	99773	110173	109715	102628	112502	101770	102365	84341	95528	107713	113954	116087	105831	94053	99121	105607	108747	108650	114464	111033	107657	104441	107930	105059	106368	104770	116582	95745	104399	110023	117785	105441	111856	109510	111726	60287	62347	119940	111966	113137	114706	126754	126965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20578	24482	20498	24517	14173	18151	24095	22917	25010	18099	19784	23637	20014	22026	21643	26077	23515	25174	22874	23129	26093	19023	25287	24115	25553	22700	21662	23589	26073	20703	25355	19280	21694	22547	22033	25801	25363	23518	25111	23768	14959	14331	24873	18035	16756	16940	22752	22898	19488	25264	10610	8972	10866	12610	9578	15533	15745	12169	10143	10571	11571	12175	16724	15649	14394	12489	8955	11221	15159	14740	11416	8649	12658	13526	12727	13385	10678	10198	11456	14252	12193	12699	9624	11289	12171	11303	10842	11267	16811	17293	9187	11732	8899	8986	12391	11103
149.0541@1.4580001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14279	12394	1	1	16129	18648	1	1	1	1	1	1	22420	22210	1	1	1	1	19624	20267	23855	22107	1	1	16693	16092	1	1	16975	18120	1	1	19125	19513	26847	29717	16753	15854
474.3168@13.181428	57662	34611	21695	22786	85564	16387	65481	34973	27907	15187	25291	55995	1	18120	1	19831	1	1	1	1	26675	33257	25594	40214	27340	83354	37572	75962	16716	47033	30095	95830	75839	42696	44517	35526	51888	48630	62275	61410	58095	112266	111305	60650	65968	46391	74631	134659	53383	76171	111326	132754	165943	98283	76184	98870	82909	97493	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33941	50521	52691	59324	140903	46525	68435	57341	46593	60153	76920	59316	75536	43494	56153	61353	67989	60726	83747	76388	56073	65856	50894	59396	49244	52513	49994	40823	52472	60175	56980	54994	47008	63395	43454	63514	96576	45881	47583	125457	60857	59990	57823	70601	48287	57096
C4 H4 N6 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10000	8516	55564	1	1	1	11238	1	7725	1	6097	1	1	1	1	1	1	1	25399	19782	15862	15491	1	1	23042	26542	26443	20400	1	1	21379	22486	9054	1	17951	20759	1	1	25854	27526	28364	27012	10401	13300
304.1672@8.947999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10856	1	1	1	1	1	1	1	1	1	1	1	1	1	10246	8162	15571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13529	20060	1	1	8411	1	1	1	1	1	1	1	1	1	1	1	1	1	10540	9434	1	1	15516	15741	1	1	1	1	1	1	15590	14175	9378	9411	8970	9330	1	1	1	1	1	1	1	1	1	1	16248	13048	1	1	1	1	1	1	1	11187
328.2594@12.765994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35482	38907	1	35453	28792	37792	39533	33089	30969	35746	42570	42362	40988	39605	30109	35093	34760	34211	33130	39855	38779	30029	34690	27560	32137	34892	43496	37717	60965	41749	33333	41015	37823	34452	26579	39717	33603	29541	28223	28879	42127	46533	33236	31898	39446	36251	32249	36058	37721	42733	31466	1	1	29360	56369	35227	1	27506	18206	1	18300	19241	17962	24897	18079	1	1	1	1	18124	14848	11146	48390	27740	18040	1	18043	22521	17570	14215	18590	23997	14612	15868	1	28716	20919	1	47048	29198	29197	12223	13527	24168	10899	36375
489.8199@0.87310344	30276	24332	22014	16833	26792	23486	22310	20722	24327	20406	22707	21989	27801	28698	17591	23705	22910	25638	22911	20846	25255	23151	18991	20702	21485	23137	20652	26621	18205	23831	19207	21909	25524	29010	23664	24986	25235	27082	18819	20280	26825	25468	17258	19140	17789	14570	18304	18721	18352	21262	9962	10705	19353	17521	27661	25116	27705	23717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16866	13029	12181	17347	18238	17961	12777	21353	15456	19274	20780	11733	15652	17500	12409	12444	14764	20223	13632	11869	15319	13915	20928	18320	15970	16124	14828	17888	15063	15911	20959	23333	17582	14591	20564	11866	18956	24343	18139	19221	8249	9549	17070	17384	14686	17902	12285	14982	15521	15466	8653	7708	11543	9126	11620	9718	14964	13380	9041	10612	15068	12699	10820	13241	10158	10855	14649	10483	9344	8173	10222	11451	12873	12446	11319	12829	6512	8231	15180	17342	11765	12403	13550	12853	10272	12625	11642	9889	10170	8200	13164	9722	8771	8765	8807	7031
1183.3678@0.86000043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22333	22584	25308	26882	14427	13462	24914	25552	28583	1	22614	23726	26529	21167	20845	21523	23249	24640	20021	20394	23077	22000	24662	25984	20740	22068	25265	24812	25804	22478	27216	27767	24499	23365	29021	30427	25237	26195	26198	28029	12012	10814	27507	28583	15097	13204	22963	23050	29417	27248	10679	8463	11573	11221	9088	8664	20186	21672	7641	8171	10661	11396	19917	18333	11564	11052	11849	1	12829	14580	1	11593	7439	7682	11898	11927	10376	8092	10530	8654	10197	11411	7228	1	13201	10845	8979	9701	22317	1	9890	10001	8134	7741	9798	8209
252.1353@7.2950015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8481	1	1	1	1	1	1	1	9879	1	1	1	1	1	11126	12591	12378	12813	1	1	1	1	1	1	1	1	1	1	1	1	8569	8357	1	1	1	1	21978	10154	1	1	1	8014	1	1	1	1	1	1	1	1	19185	20976	1	1	10273	11224	13791	13523	7458	7882	19049	15894	10130	11774	10229	12727	10050	14401	10421	11817	16487	13215	12128	10901	15161	15149	13897	18555	1	1	15150	15075	19592	15053	12268	12304
310.1795@10.659996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8394	10481	1	13129	11998	10500	11428	12625	9300	17656	18773	1	1	1	17617	1	1	1	1	11051	18658	13308	14240	1	1	10759	1	14993	1	14286	15584	11475	14014	9992	12381	1	1	11634	9645	1	14188	26228	25555	1	1	13337	1	12281	1	1	1	16441	14982	14252	9973	1	1	1	11200	21062	18449	11824	12219	12993	17183	12300	1	14021	12463	12272	11926	12974	11621	10110	1	9789	1	1	11591	1	1	19407	13677	1	1	19333	14962	17150	18983	13594	12088	14980	15203	18988	20828
603.6875@0.85600036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12665	13336	10704	13373	16189	12448	14708	14367	10105	9106	16921	17586	14843	11652	17720	17673	15198	11204	14622	15486	14840	16656	14625	16081	15266	15804	15426	20844	16214	14888	14293	13606	14006	14747	11680	13087	16855	19509	12877	9013	14316	15294	9515	12064	20162	19029	17950	16032	11013	13162	8961	8107	8509	7487	8440	8039	8041	8468	11208	13816	9403	7775	12386	11035	8399	8892	9679	9801	1	1	15743	15492	18706	18056	9331	8178	15111	14682	19236	15857	8457	7296	16096	17621	7881	8116	11641	11391	1	9929	13722	13085	15645	14502	14321	12433
158.0948@6.9239974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50731	27792	1	45206	1	57471	1	1	44558	44815	1	29278	1	47738	1	1	1	46390	1	1	58835	1	14463	48465	1	1	32344	1	28923	1	47480	1	1	1	1	1	1	1	30324	41604	1	1	1	1	33928	1	1	1	46310	1	1	1	1	55634	1	27449	1	1	30771	1	1	49538	1	1	20637	1	46607	18676	1	1	49669	1	52344	55064	1	1	1	35601	1	35599	1	1	1	1	53721	1	33310	1	1	26138	33842	54919	1	1	32498	1
868.8581@0.83586925	14099	13439	11767	14534	21564	25331	12677	10976	12530	14842	25592	27013	17165	19175	15838	17143	13424	11296	14777	16022	26011	26195	9922	10195	20651	21245	15473	17153	11431	8584	50037	54168	56746	50402	55430	58885	48627	55790	57532	60632	58555	54347	55228	56056	57224	55388	62527	60062	59453	51716	60190	62026	65056	63871	55549	61624	61847	61630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21839	23083	20693	16885	13635	17390	22250	15855	22687	24987	18216	17289	23086	17922	16629	17328	21473	17749	20443	16084	19720	18026	17613	18315	18546	17198	18970	20159	17593	20180	21391	22743	22485	20618	23047	23625	18873	19306	20925	20021	12111	12299	24239	23706	9454	11932	17211	12405	20994	22692	24510	16412	23069	19377	23659	17096	35065	31787	11913	13803	18622	22751	23572	25388	23231	22309	20059	18156	30178	26043	10831	9588	8181	11336	24426	23487	7621	10873	9458	12612	20378	19970	9520	10206	20415	23657	14310	10644	30276	29299	9839	16711	7798	10010	11993	14542
C12 H2 N3 O2 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18922	18624	22342	22977	22241	21580	27868	26679	24900	28471	10029	26760	22289	22400	21932	19715	23246	22090	21262	19027	17352	18938	27561	25294	23933	21039	25910	24254	24323	22724	22516	25901	25024	23739	24291	26271	26247	24055	26923	23972	8905	7774	24859	27052	23086	24209	20065	18298	20200	22959	1	8932	9310	8538	8358	7843	12232	11386	10549	11005	12842	11258	11428	10780	11089	11430	10608	11219	10552	11253	9240	9806	15074	14338	11895	13871	7021	7230	20379	19956	11473	9839	13406	14159	11236	9721	15581	12024	15448	18541	10038	9389	7950	9600	7523	10250
634.1336@1.541853	27934	28079	41064	41761	25843	27283	49016	51128	48171	45254	25689	24691	40447	37771	42134	41871	28646	29336	36344	36785	9998	9134	65818	65689	22692	22583	22631	23306	35623	36363	1	1	9641	9471	12834	12870	8214	7596	16267	15036	11698	10748	9066	9509	7156	7738	10319	10851	1	1	1	1	21583	19116	1	1	13363	15784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13966	13284	14897	17325	14915	14178	17130	17905	7924	7808	11657	11456	18197	19137	15542	15652	16623	16425	15914	16969	15160	15556	13721	13667	14113	14139	17082	15582	13035	12976	10621	12484	14187	15901	12541	13761	18926	15688	15401	12713	20580	19317	12362	11214	25980	25305	11893	14075	11981	12582	1	1	7175	7466	1	1	1	1	1	1	7305	8749	8959	10144	1	8114	11740	11570	1	1	9507	8913	6965	1	9126	10989	9264	8029	1	1	1	7024	6318	6694	7097	7426	8018	8102	1	1	6781	6431	12307	11751	6774	6626
509.3572@13.819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71325	1	1	1	77624	11350	1	1	1	38597	42144	1	1	1	37755	1	51762	1	1	1	1	27307	1	1	1	1	1	1	1	1	36226	1	38249	1	33550	1	30099	1	1	1
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701.7444@0.87000036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19307	18736	18908	20926	24128	31340	27796	29276	21451	21354	26868	21229	25007	21878	16938	18909	22866	18751	16676	18878	21595	20872	28710	21215	18908	17434	26484	24118	17411	16937	29893	26040	22881	18914	23831	23110	23233	28842	19889	17753	15438	16298	19702	23537	23836	24824	18604	20886	20462	16999	10042	12348	14825	11508	13467	10331	15310	16796	15042	13944	15520	21051	15619	23464	10576	16032	17099	15789	10171	13854	18326	15125	15317	15224	18620	13865	10804	13001	20446	22510	12110	11227	20439	16633	13165	13025	13455	11767	13742	14124	17322	19032	11834	14223	13786	9037
252.1349@9.494004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18011	16622	14248	15689	13595	31447	21447	1	23936	17422	1	15368	18211	12624	12727	28631	1	1	17970	17933	14595	15889	14530	16460	18881	20821	1	25222	1	18113	17587	15501	20886	16162	13015	18239	16144	17572	18336	21967	21995	18189	18887	17273	17631	22437	18725	11971	26664	20809	16489	13462	11876	22024	12726	14681	18839	19935	13945	19896	15999	13869	13079	22089	23229	17165	21653	21199	19113	20346	20187	21942	18028	16227	19787	22303	22855	16938	21910	21819	20527	20503	13361	20869	16702	15499	19327	20013	22999	46174	21409	17253	22196	26296	21516	12168
440.8974@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16073	13078	14457	18151	14923	15108	18616	18068	16653	15076	19504	12599	16270	19285	13162	10539	14119	15915	13312	12252	15128	16068	18824	13596	17570	18715	11827	16171	13980	16944	19066	17509	18869	17195	15866	16285	17920	14431	21306	17324	12916	13658	17735	12767	11034	14495	14871	17632	14620	20055	11958	12161	13238	13285	9504	12909	19533	19536	11418	11673	11494	10413	17704	17387	16144	15837	14115	14054	15798	10946	10763	15892	12344	14473	14816	9560	13192	14203	14575	13939	16584	13863	12392	12523	14877	14885	13538	12778	20166	20340	13508	13466	10657	13710	11620	13855
361.1879@10.101006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9079	8284	12475	11831	12706	14119	1	1	1	9920	9050	9528	10348	13392	1	1	9222	9883	11046	11295	1	1	10639	11488	14221	14725	9762	11022	1	1	8939	10143	1	1	11758	10727	1	1	12170	13858	8759	8256	17430	16893	1	1	1	1	1	1	1	1	10108	11265	1	1	20226	19160	1	1	8913	8963	1	1	1	1	1	1	1	1	10674	11372	1	1	1	1	9189	8800	1	1	12062	12893	1	1	8965	1	1	1	1	1	1	1	15440	14956
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C27 H38 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20997	19996	1	1	1	1	1	1	1	1	1	1	13673	14121	26275	25079	1	1	12889	11025	23809	24733	1	1	22069	22966	1	1	11177	10681	1	1	8273	8785	17154	14824	17251	17046
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300.2659@12.015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49992	1	25031	36603	1	1	1	1	1	1	16691	24274	1	1	12665	24956	1	1	1	1	20679	44628	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18192	102409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20507	1	17360	34632	1	58512	1	1	1	14686	1	30190	1	1	1	1	1	45593	1	1	1	1	1	1	1	1	1	1	46507	1	1	1	1	1	1	70423	58682	22128
655.3737@11.655002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14593	16009	11859	14042	1	1	15010	1	8393	10901	20668	28728	20866	25032	21795	28009	22118	14709	31712	23011	20583	21586	12369	10700	22234	24796	23453	32080	30915	18539	11781	1	18975	22416	11290	1	14269	17603	20206	18938	20797	13559	1	1	11150	13781	20173	20776	12708	11161	1	1	1	1	1	1	1	1	1	1	26348	30349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27302	1	1	1	1	1	1	32035	1	1
665.7073@0.85900056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17315	14990	20800	21913	21866	22207	21688	28563	23467	23544	22155	23657	18368	21546	18677	15143	22396	23569	18777	16486	13291	12829	31108	23122	16607	17913	25221	33729	20068	20787	29284	32703	21448	15388	24002	27455	25092	34381	19541	24068	13598	11950	17273	20290	19219	23093	17826	20823	23334	18320	9354	9024	11078	10751	6444	9784	17158	17997	9820	9314	14528	14914	18227	16340	10830	10718	13323	15861	1	14876	12316	11489	13248	17519	12830	14540	1	11016	15172	14215	1	1	11378	12669	10189	9808	10777	13559	16926	17120	11921	6999	7703	11050	10722	10353
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643.788@0.8560004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23944	22542	24471	27682	29214	28737	29399	28101	24296	23725	27852	28163	27837	26245	27987	26086	26857	29200	25121	28386	26342	25523	27125	28427	30537	28064	32560	33277	29107	24841	31612	25247	21334	28976	25335	25561	30229	34180	25919	24096	23270	29955	20119	25785	33162	35529	31176	32874	23678	22010	15076	14927	13189	17142	16686	15982	22256	16551	22668	17479	21034	19443	20663	20586	16856	17936	20578	18689	14194	15388	23371	23250	28953	27376	19324	19058	23603	23244	26135	29356	19128	15474	26153	22176	21899	18992	23502	22362	23210	20516	20515	23303	26610	22959	25043	22108
1111.1525@10.218997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8381	8175	8123	1	1	1	1	7623	1	18903	15014	7832	1	1	1	11297	11813	1	1	9988	8686	1	1	8304	9236	10102	8244	1	1	9308	7266	10899	7393	8771	8679	19572	8695	1	1	14742	10979	22793	26893	11455	10096
916.8349@0.8379999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24756	23207	23580	19764	16712	18623	21804	25469	21826	19956	20780	23271	24183	20575	22098	20482	22840	26983	22507	21872	21989	20682	25574	21657	24245	21011	21806	20617	22427	18602	20586	21396	20990	19783	22212	22856	24334	25757	20382	26210	16544	16538	24337	22823	19022	18335	24822	20751	19939	20567	22437	20947	20303	20528	18858	20557	24561	24614	19173	20299	21529	20470	24013	23196	25581	23365	18327	21197	19514	22310	19135	21025	13409	12120	23136	25436	20439	18576	17556	16710	21401	20731	19096	17130	20123	20825	17392	17436	20984	22500	13764	18484	15445	20132	21078	18750
272.1978@9.982001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11751	1	1	1	1	1	1	1	1	1	1	14071	1	1	1	1	1	1	20982	19273	1	1	1	1	22497	20396	1	1	1	1	1	1	1	1	25377	16002	1	1	12912	19126	31186	34745	1	1
1305.2686@0.87300044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22431	1	29165	27134	15263	15252	23572	27236	22157	23381	26952	25320	26385	26629	22893	23899	27896	26740	23177	1	26198	24766	25696	28049	29266	23716	1	28414	23803	25218	26425	28497	1	22743	25015	25852	26661	29281	1	24614	13129	14903	22416	23160	14506	1	24576	26034	24535	25392	6931	6221	6719	7074	8343	7563	12081	11848	9491	1	8358	1	15254	16324	7444	8183	8628	8727	9522	8800	10865	1	8749	1	8518	8667	9599	1	8395	10565	7539	9049	1	7664	9425	7851	10320	10013	16945	16548	10273	1	8705	8993	8753	9489
C4 H6 N6 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2839042	1	2746231	2752744	9507	11422	11143	3395607	2460851	2425291	3191308	10213	10775	7810	1	10553	10222	11921	15756	3690417	7052	3087468	3366431	12875	1	11782	14004	10735	10044	3317981	2697057	2730396	2686707	1	2023545	1	10982	9285	2368190	2352836	11688	3500347	1	2381798	26206	28306	13995	13654	2576324	1	732088	698007	686866	672556	524687	508648	332091	325070	1137363	1133860	931512	924784	537950	554472	578231	585681	941660	922035	239837	249070	820263	816082	1398113	1383571	741736	707634	719586	718046	1065536	1079027	552174	554841	1074302	1030894	670141	669479	1009039	984282	480339	468040	937325	965401	745955	775308	828786	841085
422.8959@0.8499992	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16243	18547	18270	17638	17719	11827	19843	16666	14758	17070	20573	20044	18770	17365	23909	20966	20490	14945	26432	23800	21990	22885	19867	21447	17029	22671	20996	20794	20354	22034	18697	18750	19906	20852	16272	17532	17430	18978	16361	16199	20013	18003	13577	18777	20705	15663	17701	21980	17888	13217	12370	10676	10782	11763	9596	10377	10051	10066	15996	15977	12867	11679	12274	13120	9437	9799	10059	12092	9897	11133	16071	12818	21099	18915	7607	9307	14175	14795	16907	17534	11750	11360	14876	16183	12545	12751	11793	13157	14080	14198	13930	16913	16951	15948	16952	12551
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635.3086@7.7290025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9960	11944	1	1	9226	8178	1	1	1	1	1	1	18287	19255	20545	19555	1	1	10769	11920	21357	21277	1	1	17870	17398	1	1	17497	17936	1	1	9289	7801	23222	21432	11053	11940
665.3926@12.216997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69663	102372	121941	122166	163685	150586	103322	113146	56782	53646	136203	133933	173783	174435	225333	254028	103799	116043	268866	212854	79949	92539	59879	70920	120950	146521	206088	277977	183482	130302	56359	54356	138602	124311	48241	41680	111137	125146	89424	80469	366118	367468	64072	53003	247652	292755	234300	201802	93993	49392	68618	80050	54888	78765	95853	116202	58449	60681	124430	16624	247481	194420	80850	28743	34503	1	81246	27400	33310	35141	41934	1	114175	38925	37119	42018	48234	38653	22142	1	49735	31286	116905	1	25280	37767	227476	33122	18884	1	175029	46409	103684	178098	83135	38032
C5 H9 N7 O2 nullnullnull 2.056 :1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13231	1	1	1	40809	37944	1	1	1	1	19538	21078	1	1	1	1	14891	1	18049	15073	16184	1	30895	27557	1	1	30961	31825	1	1	15228	14616	12180	18104	1	1	14968	16920	1	1	1	1	1	1	1	12014	22552	21104	44518	41693	55838	53040	35818	45323	46699	47248	175033	184283	62032	52833	69633	76432	40712	47484	86572	90390	30823	31688	141572	134750	280043	268900	55905	68755	162385	147639	285381	503834	44048	39614	188622	185106	62751	58060	223172	120196	84889	87140	143983	125745	162507	177490	184324	185598
340.2086@11.699002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14027	1	1	1	1	1	1	45678	20982	56046	41202	47724	40430	29422	10415	40011	32592	20885	23178	30278	44182	32260	54534	39105	47519	43190	48210	31176	35260	30335	35737	33166	8290	19219	29200	41184	38223	33291	39271	35994	12438	56542	36961	25182	115227	43063	11821	34267	9098	17962	13799	28664	25071
316.2042@10.932002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22211	20258	25984	22764	1	1	1	1	1	1	8777	8975	1	1	1	6899	1	1	7970	7644	1	18528	8248	23504	1	1	10083	1	1	1	1	1	1	1	16988	13722
Cinnamic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16785	17327	1	1	8151	8995	1	8006	1	1	1	1	16585	14599	23751	23503	1	7552	21731	21896	22050	21783	1	1	18614	18112	7144	9249	11352	11133	1	1	14306	14895	16475	17794	20555	15551
573.7183@0.8573776	26627	24712	27979	28099	21212	23734	27542	28632	28503	30396	22254	23472	25120	28490	25202	23672	26115	31858	26170	25488	20348	18252	27690	26994	25742	27294	23596	23601	23002	27273	18241	15722	21918	19358	17322	18417	16883	19793	14926	17101	14869	18357	15270	14915	17930	16178	20293	15903	12869	16798	12275	11956	16266	15161	18645	14357	19025	17369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16491	18007	18024	14694	13331	13996	16622	17165	13576	17419	16426	18683	15326	16388	18259	16843	18151	16854	19433	15376	19022	16470	21853	17168	16726	18909	19224	18937	16546	15817	19658	15895	16521	17793	18194	14655	20006	17926	18027	16618	13033	13810	14604	15180	17045	14195	19744	15221	15639	15180	10054	8046	9787	9440	7329	10225	11666	10024	12484	10839	11577	10226	13233	13088	10226	11093	8280	10629	9432	10758	9072	11969	14967	11790	11201	9032	12726	10943	14232	15262	10903	9582	9633	13337	11473	10474	10656	12069	12786	15327	12605	13130	12420	13898	11949	13107
679.5175@0.8633776	19779	16496	21100	18741	21185	14402	19241	21161	20498	18235	17911	21263	22549	24759	14340	19723	24260	19572	17699	18038	16604	18866	17875	17821	17329	21776	20556	19396	20507	19802	26451	27474	28112	26942	29357	33734	25819	27588	24654	24942	29732	26942	27081	26776	25582	22873	23815	27369	27797	27155	12003	13947	24406	24700	39323	37226	25580	24245	9852	8350	8126	7959	6730	1	11805	12011	13975	9891	12869	9984	1	1	8976	9177	14639	12627	11764	6808	9520	9190	6730	1	8984	7426	11252	12597	1	1	7763	1	1	1	1	7074	7937	1	1	1	10573	14070	9791	9220	8802	11288	12074	10717	13748	14808	10337	9946	10652	9366	9159	9176	14926	15186	16277	16652	7991	8809	14990	19335	20683	21357	16600	15380	15681	15176	14832	14451	14667	15660	12599	11642	13777	15623	14726	14450	15574	16033	14568	17262	16598	15330	20076	19140	16091	16259	20842	21322	16637	16671	17926	17684	9065	9482	21176	18898	1	7021	13801	13019	19224	18396	7664	7793	7939	10880	8130	8048	18556	18722	1	6924	11515	8973	16897	13461	11179	9520	8971	9519	10473	9987	9050	8625	7177	7404	9563	11266	1	7526	9511	6856	9217	9583	7997	7430	10531	11508	8139	8216	22177	21278	8621	7838	6878	6307	9073	8984
695.4@11.817994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48149	62067	67433	67870	71162	58521	48850	49896	21257	19889	28700	69828	69076	73817	97454	114042	45470	50007	79692	119936	41672	53134	43637	30158	60653	78926	118183	126028	91585	26700	29021	24995	72580	80719	23694	20284	59586	67272	53289	47530	196877	152875	30593	25693	113008	122214	78023	68215	36778	34956	63559	76764	78186	52549	78781	55006	32923	20289	60017	16653	371038	317939	53188	32153	21984	15177	69752	27106	16077	17203	44299	1	53777	20167	36292	25940	30628	25427	1	1	37937	39743	70133	1	23068	25237	337745	18965	1	1	76223	24229	181952	268615	49609	20610
471.7152@0.89199954	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7625	11024	11955	13469	13160	11052	11712	10074	1	9847	13079	11348	10433	10970	9708	11653	11100	1	1	1	1	11044	12962	1	9228	13050	14989	8638	10007	14362	12536	12219	11976	11402	15158	13324	13812	9843	1	9063	1	9704	1	12681	10826	12497	1	1	8734	1	1	1	1	1	1	7263	7889	1	1	7762	7835	1	1	1	1	1	8295	1	1	1	1	11000	1	8843	7558	1	1	10956	13511	1	1	1	7415	1	1	9326	1	1	1	1	7283	1	1	1	1
513.6492@0.8619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22432	21682	26722	28312	22519	22129	27792	27343	24824	26627	25166	26947	22668	25197	22208	22052	24784	27374	21440	22341	20573	23019	26937	27833	24634	23739	26679	26982	23148	23109	29609	29616	24259	23351	28255	31710	27243	28122	27916	26376	15604	16082	28687	26251	22092	20943	20821	24234	26593	25303	11030	9984	13486	10863	10879	11014	19962	19246	13585	12538	13097	13080	17093	19760	13805	15745	11249	11218	12923	13528	13985	14386	12419	13037	15519	15102	11873	13678	14977	14543	13683	15682	12500	12900	13160	13673	13807	12039	24127	23972	12451	12519	11429	10765	11802	11982
608.7556@0.8619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40696	47830	58719	55480	47933	43897	58343	57228	54140	56720	52896	49400	52196	52707	42533	44823	53700	53926	41288	40199	43315	42493	58638	56344	47348	47296	60364	63552	45427	48716	61272	66427	47602	49453	67410	69140	60558	60950	53692	58648	24312	26131	55120	53347	39547	44874	44972	47764	49727	49992	19395	22260	24311	27436	21202	21144	46438	41901	20567	22920	26772	28231	39195	37237	28911	25334	30041	27143	28677	31965	24557	25518	28435	22840	29422	31721	22427	19595	33192	32758	26497	26716	23422	27926	29363	26620	26122	26315	42946	45541	26030	22058	21230	22592	21645	20711
456.3235@13.024894	530492	593907	32669	41300	73568	46434	35129	14876	64612	53132	80722	94892	592348	215284	355629	198543	1718871	305563	233902	103267	587552	693961	37844	26218	41959	23811	17538	12542	17210	11950	19291	15991	21572	18180	20121	14877	30944	33504	312199	222096	48215	35482	37134	36062	18893	27998	325201	103563	57265	44554	6144	6834	303426	75849	27247	25065	45518	31971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16130	12900	1	1	24282	26938	1	1	6711	7121	47325	48128	22810	21003	1	1	9169	7071	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	633849	493104	25898	12863	12657	9082	39718	30518	22963	16881	12639	1	1	1	10769	10855	6840	1	1	1	18216	18718	10224	1	10970	10277	315297	10186	7231	8601	16272	7230	59042	214411	14939	1
1631.6335@0.83700055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16459	14268	14639	13113	19121	13024	15640	14054	12279	14314	15318	1	14434	17020	12817	18869	13340	14576	1	16173	17106	14560	17408	14192	15315	13980	13569	19412	14163	16320	13063	13148	14975	1	12990	12265	15324	1	12202	15776	15599	1	11035	1	14169	16320	16656	16062	13223	12643	12282	13087	13420	14529	16447	14891	12611	13096	18788	20843	16779	13251	15718	17448	15618	14050	15498	18723	11371	10858	22408	18261	1	27030	15423	14237	22190	17860	23600	1	16988	16832	19536	1	13849	14093	20774	14828	15129	11940	18595	17920	25315	25353	21390	18953
Fexofenadine nullnullnull 10.818988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10701	10078	16330	17621	37466	40415	13919	12487	9810	8303	1	1	15625	15422	12412	11832	8411	7534	13067	12478	9497	8183	13379	12351	1	1	1	1	1	1	11627	10734	1	9534	1	1	16650	19022	1	1	176517	167991	10496	8628	45832	48657	8698	1	18840	15891	306177	329632	367690	305772	112927	87718	51573	41580	338011	242844	1065311	824423	422520	364839	227158	208632	514470	398411	227025	223459	412834	322788	172143	126920	289639	262109	305063	277129	227999	189933	241021	237647	415322	264721	272113	259958	1293510	286636	42010	37929	548301	376170	1067500	1638883	407349	328044
1211.0869@0.8690005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19106	20989	19041	21141	17220	17962	21532	20387	21054	17742	21998	22733	21859	20131	24350	21972	20331	23520	23812	20928	23294	20495	22241	20972	22785	1	25116	24463	23781	23082	20249	19155	17820	18788	19713	20187	23419	21501	19525	19469	16725	19041	16677	18057	14968	15919	24121	21717	17530	18457	15659	14192	18099	14713	13658	15349	17648	16952	17921	17769	16860	16162	23872	24118	16290	16402	16861	17957	14324	14296	22565	20515	16879	17225	19515	17275	19030	22100	20722	19773	15028	16664	18494	17652	15132	17883	21572	18364	22375	20382	20518	20644	21462	22596	20591	19753
268.1641@12.01354	34809	32709	13688	1	1	1	1	1	1	1	19018	19700	37514	15841	51615	24222	160292	23478	32883	14581	20816	26748	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7114	1	1	1	1	1	8750	1	8842	1	1	1	1	1	15618	1	1	1	9151	9031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8631	1	1	1	1	1	1	13448	1	1	1	1	1	1	1	1	1	1	1	1	9048	8600	1	1	1	1	1	1	1	1	1	1	1	1	12987	9788	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9419	1	1	1	1	1	8101	11015	1	1
254.1524@8.469477	1	1	12574	7310	1	1	1	1	1	1	1	8874	7111	11608	1	1	10264	11547	15191	1	1	9787	11356	1	12130	10110	20493	1	1	14097	7616	10146	8781	8478	9214	1	1	1	9653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14186	9365	1	9897	11064	1	1	1	1	1	1	1	1	10374	1	1	13402	9714	12027	9463	1	1	15262	13091	1	1	13762	11234	1	1	1	1	1	13703	11828	1	1	8685	13470	1	1	1	1	1	1	1	1	1	12121	12363	1	1	1	1	1	1	1	1	1	1	15821	18565	1	1	1	1	1	1	17972	23541	26245	16298	1	1	20757	24803	22714	21924	1	1	16505	18216	1	1	1	1	16973	22104	1	1	27062	24731	25631	26048	1	1
1211.4628@0.85699993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14631	16630	14898	18917	1	18735	17094	19053	15929	16034	18061	16477	18296	18377	15965	18814	20668	21066	14769	13490	21077	18969	19454	21193	1	14762	18406	16025	15359	16706	19568	15772	17344	17017	13593	15504	18235	16193	15597	13112	18077	14807	18393	13452	23835	26235	15335	12213	12145	15905	1	10242	11369	9261	10814	10683	15866	15730	12783	14013	11410	12498	11196	12765	11896	11687	13858	12485	11590	9211	13695	11837	15728	15793	10173	13649	12638	13320	14839	13655	8977	8587	12145	12278	10409	11095	12181	12271	7523	1	11576	13956	12727	13714	11393	13258
684.4273@14.026997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8375	8335	1	8640	11990	1	1	1	1	20645	1	1	1	1	1	1	1	10737	9168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30408	20864	1	1	11074	18522	1	1	1	1	38578	10995	25989	24406	26364	38335	9509	8884	19867	17731	41363	24833	38984	59628	45972	30422	13572	180836	57146	17142	26998	7297	8258	14612	1	9228	13445	17568	7629	26815	10992	199581	14439	27073	8567	1	28504	190002	64412	50348	11331	1	10075	28833	136532	69210
653.63@0.8684008	30040	24249	26330	22985	15818	22662	33489	31295	29432	25196	25010	25126	26865	25827	25154	18272	24579	28952	25421	29136	24870	16678	25733	29321	23215	26780	26230	19697	24308	26034	13770	16469	18880	12085	13021	16580	13436	16141	13081	14056	14717	16256	13001	13775	16433	14850	15927	13732	12928	10530	7033	6622	14283	15249	8832	1	18082	16990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20132	17534	19247	18372	11603	12884	17433	17930	17213	14616	20370	16529	19161	19778	15889	21024	20615	22167	15809	20965	18480	18840	19006	16626	17223	17817	16077	20481	22875	17295	19112	22190	19380	18384	19479	17137	22492	23909	20603	18865	9749	10026	19287	15484	10799	12185	19505	20131	19382	19148	7592	1	1	7455	1	1	11944	8581	7955	8358	7915	1	10882	15019	6976	8793	9292	8376	8758	8117	11450	9199	8755	7015	1	7916	1	7757	10209	8785	1	7448	7673	1	8438	8038	8411	9271	13534	14140	8539	9710	1	7306	8628	7815
Glu Gly Ala	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34673	30403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18055	16429	11984	11567	1	1	21506	21712	12152	1	1	1	1	1	13568	12854	1	8780	1	1	17883	18886	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15922	14535	1	1	1	9187	1	1	1	1	1	1	10589	9868	25906	21753	1	1	10271	9851	21659	21988	1	1	14038	15546	1	1	8164	1	1	1	1	8778	14312	13531	14322	11803
585.6287@0.8650001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19431	18334	21701	19430	12217	9933	17847	20060	25407	24214	19543	19907	19172	19557	18585	13431	16976	20500	18886	17660	16627	17214	20099	19889	18961	19052	19026	16686	19015	17286	21340	20727	18608	19357	24579	25266	17824	20892	21654	18704	9962	9001	24253	21045	9143	7518	15488	18842	23356	21486	11734	11374	14570	10745	11324	10291	18214	17853	7471	8559	12464	11744	15447	15142	12378	13109	10292	11713	13927	14566	6987	7117	7078	6497	10893	13006	8159	6530	1	7887	14658	12675	1	7653	12956	12109	7329	7548	21021	22460	10374	8109	8324	6284	8218	8670
556.3256@12.63042	62889	42426	11316	13025	13903	12787	14065	12071	13385	15575	16144	15041	45109	25972	35573	20630	68812	45795	62598	13194	36016	43598	12382	14524	12244	11125	12129	10348	12945	13501	15124	15914	12362	15351	10160	10713	16997	18017	33020	31441	19840	24889	25050	20115	13627	13177	34331	21506	14441	14505	1	1	25324	18103	16654	13944	15758	12418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7783	1	1	1	1	24825	22783	15252	12824	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25779	18494	1	1	8221	8737	8510	8635	11386	8445	8564	7984	7656	10042	11425	11088	8098	7577	8175	8599	18882	16013	11700	8204	10797	11122	30885	12382	15635	12487	10448	8623	9964	19160	12623	8177
318.22@10.950999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15488	9297	1	1	1	1	14733	12859	26599	12106	15565	15284	9701	9308	1	1	1	1	15590	13738	1	1	15148	14145	19928	16164	22724	22722	19890	21015	16407	14194	9921	9470	43289	17242	1	1	24597	21141	15632	18635	15848	14684
418.2199@11.864007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	82311	97034	78716	85689	87209	84372	92601	79058	80578	92044	117760	93594	82941	72675	79507	82941	88297	67827	94060	97264	76438	75227	78729	78200	82659	85174	78313	81667	76220	78829	83790	77772	77226	77256	80090	82980	105302	80554	100912	78150	89402	111358	88741	108746	85355	85674
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120.0427@13.3829975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30306	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20156	1	1	14345	9334	1	10404	1	1	11798	1	1	10486	9469	1	1	11510	1	9203	1	1	1	1	1	21661	44292	51834	23168	38999	1	27145	96537	47521	9397	70168	1	25362	102913	20932	35494	41712	1	1	58438	20766	51681	16444	13246	21736	18321	1	7442	74796	1	36257	54802	15135	1	1	1	63317	9040	17122	1	60145	1	37365	1	1	1
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491.7492@0.863867	66825	65010	68573	63281	72881	71595	61482	57276	84256	74770	75220	79739	69603	69984	45485	43988	79515	78374	62099	63355	64419	58555	42215	44455	78703	73221	60078	55160	47269	55636	116187	111113	134487	134686	124788	124775	131132	135272	95996	93932	120429	129892	99854	100992	72715	74145	92704	90347	108339	110344	54445	57451	90341	90614	155380	143672	137307	141612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10960	11124	15278	14544	7896	9857	11003	11896	10732	11156	12794	12459	12116	14392	13811	12273	11867	13151	13218	15254	12434	11978	14036	13255	14835	13425	13087	14888	11424	12002	12673	15038	13703	11847	14639	12191	15685	14066	12396	11878	8170	7450	13348	12238	12883	9789	13526	14688	12924	13223	6454	5564	7721	5886	1	1	8623	8286	7274	7506	1	7490	7968	9162	5986	6298	6363	8012	7471	7005	8445	8474	7660	6126	6127	7179	8750	6846	9626	8815	6043	5783	7317	8650	6437	1	8751	6628	10301	10905	7437	7437	8163	7815	6680	6888
320.2356@11.773996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19585	16701	24808	24695	1	1	1	1	38530	35326	99531	70067	24571	24714	1	1	1	1	1	1	25879	22016	10045	1	31973	33643	23076	25427	41956	36199	13547	15134	40459	30085	11771	11890	87086	19765	1	1	70274	52842	17657	27221	22381	20047
609.6524@0.86699957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15457	19035	19628	16538	16119	17637	20985	20963	12842	13428	21938	18595	18990	19765	21094	22263	19104	20209	21370	22802	19209	19478	19297	20082	20169	22613	22587	23104	19858	20463	18353	19192	18672	17117	18556	17361	20773	21807	16747	16624	16135	17195	13794	12446	18497	18546	22687	24311	15486	16475	6931	8857	8802	8791	9714	7898	8281	10199	11838	13775	8737	9942	14396	16019	7803	9461	10186	10854	8867	6798	13329	16193	16686	13322	10588	10959	15652	13426	16022	13129	9030	8760	12230	13250	8335	8792	15298	15475	12644	11942	13881	13671	14558	15161	14218	13307
910.4395@4.3590007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13484	14866	1	1	10084	10876	1	1	1	1	1	1	14360	13985	22169	21738	1	1	15862	13827	18266	19026	1	1	16581	17232	6174	1	12467	11456	1	1	10884	10789	16042	15508	11659	12511
364.9215@0.84899926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24690	19704	26734	23694	19880	24211	26647	29052	22818	21763	26845	20369	27927	27789	28057	27245	26170	26447	29563	28637	29332	28152	24800	30828	25983	28995	24372	26883	29700	27254	26759	25436	23983	25435	24015	23882	24542	27937	26131	24315	28622	23914	24819	23437	24262	22981	27440	29845	22652	24368	17830	17905	17565	16667	17436	17343	22230	20563	18635	19004	17263	16535	22481	23690	17096	16984	14948	16166	17936	16970	14071	17633	20907	17665	17851	16732	14816	15010	19114	20324	17767	19486	18941	18021	18009	20407	17165	18731	26179	23149	18124	16963	15016	14462	19450	18601
477.1712@3.4250002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8536	8156	11451	10290	1	1	11846	10980	1	1	1	1	1	1	17230	14915	11558	13451	1	1	18000	18611	17535	17120	1	1	15641	15290	1	1	8000	7701	1	1	14504	12404	15074	15956	14818	13838
531.7978@0.8539996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14977	10528	15118	17975	8505	7074	15904	18966	14072	14341	14843	13659	17029	14970	12155	14193	15203	15604	15131	12241	15969	16164	17198	17146	17393	17441	12660	16728	13325	16207	15297	17972	16199	13004	15506	16088	15254	16797	15511	16473	9387	10311	15769	18922	8460	11441	13589	14111	16956	14661	6189	6533	1	7073	5877	5656	11778	9810	7972	1	6604	6423	10112	13595	8026	8393	6777	7815	5490	7146	1	1	1	6868	7637	7548	5610	6207	1	5761	6898	7551	1	5437	7411	8886	6322	1	10894	10354	1	6695	1	1	1	6404
385.9435@0.8333766	923119	926959	915204	43615	1178438	1153588	859486	844826	941013	929640	1052825	37178	1019304	38660	1007049	1001829	868051	863074	943875	946112	1128301	1155192	778174	802183	49670	1096941	54638	1044439	850526	881252	1610462	1630594	1658257	1624952	55292	42484	1719543	40492	1686202	1650264	1683388	46375	1739506	1782052	22444	1761525	56193	52396	1805316	42623	1879695	1813898	1758310	61731	1838763	47039	1723568	1751532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1255632	1318070	1339650	60602	1257823	1278363	1293662	1283819	1399583	1380141	1301862	1334929	69505	1303973	1285016	1290385	1292030	1331745	65297	1237916	1270129	1270440	1280238	1290233	1291782	60301	63882	61640	62598	1279589	64936	1335450	1329415	1331519	1394888	59908	1318703	1331012	1344547	1340304	1205383	1213849	1394546	1385025	1193150	60306	66970	1282528	1346794	1372579	68960	1386978	1443586	1425771	1359381	1354845	67620	59226	65402	1207488	1423495	69543	1451494	67112	1567042	61159	65512	1456724	1585403	1586784	1340352	64793	64819	1119384	1506419	59686	64419	72498	68062	63909	1491618	1503239	62001	64585	1533767	1553543	31759	1315015	53274	1655760	68156	1385106	1263967	70265	64687	64585
C4 H9 N4 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8189	7691	1	1	6840	1	1	1	15672	10796	7933	8318	1	7518	6593	7464	1	9197	1	1	8000	9255	14391	15387	1	8793	6994	10858	15068	14233	1	1	11872	11812	1	1	8528	9557	6357	8240	6981	6257	13104	12909	12477	12207
673.6566@0.8659998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15490	18415	17848	17498	13860	13731	18728	20650	13478	14630	16968	15593	14987	18520	19447	15986	19100	17606	21186	18343	15999	17387	18728	19071	16631	17756	20931	17839	14971	17839	19124	22031	17353	20223	16621	18375	16949	17012	15347	16419	11031	8932	14906	15465	14255	12805	19966	19432	17182	16416	6800	6815	1	8723	1	5916	8675	8528	9851	8000	6304	6708	10917	9417	6767	9041	9284	8635	1	6806	8583	9634	6881	6354	8489	8313	8489	7545	11301	10576	1	1	8840	8944	7457	8139	8632	7464	11715	10732	9755	7543	6966	7001	6947	10588
362.8374@0.8756184	21524	20135	19391	17008	16616	14288	14335	16993	17747	21135	23534	12323	20782	20373	15423	14393	16702	15181	19191	17231	16654	18338	16052	14006	17263	16135	14981	20581	17243	14725	16237	15139	19896	21509	14711	19235	19628	16779	19742	21307	19576	16308	16176	13252	16878	16688	11988	14849	9574	12991	8695	10474	22850	18612	9734	8861	25274	28055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21807	22911	24932	23567	21294	16861	25068	27293	16048	19447	21902	26485	24019	25608	21049	26196	24888	25154	27322	25548	24764	23257	22964	22380	22640	27841	29001	31337	25594	27744	20484	26486	23721	21425	17490	24014	24426	29598	21897	23865	17850	19679	18840	22129	20961	22415	26296	22821	22269	20894	7973	7316	7540	7279	7958	8203	10503	10736	13132	12420	9976	8457	13899	14445	7059	6912	10826	11474	1	1	13199	13726	14677	14646	11383	8791	11521	15105	14776	16031	6495	7555	15088	13578	8775	9504	15178	12757	11907	12913	14809	12556	11469	13096	14783	12293
628.8687@0.83999944	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8549	8766	8707	7891	8762	9285	7891	8393	11800	8954	9416	9897	9798	7661	8986	9463	9774	9374	9736	11228	11413	9163	8576	11190	9916	11982	8878	9845	8852	10178	8569	9737	9505	7978	9424	9341	7767	7569	10380	8702	7442	9033	8304	7737	1	8596	10179	9653	7259	8401	8231	8612	10716	11327	9145	8307	10117	8892	8556	6577	9411	10735	7074	7520	12013	10180	8131	9427	10732	12180	8795	8140	7884	8619	10431	8942	8032	7726	8572	9636	10137	10977	1	1	9773	11949	7558	7554	11547	11150	9484	9770	7943	7105	9377	8319
214.0815@5.5791054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90270	1	1	1	1	1	1	1	1	1	1	1	51569	1	1	27472	150473	1	1	1	1	56699	1	40749	63562	1	65801	64092	1	91306	1	112283	66059	91487	33367	30474	75452	79288	38710	81407	69572	45432	79654	69291	67684	74039	113813	26214	75983	45404	43079	42538	1	47440	61226	1	123571	68469	50752	1	73156	33572	72731	81207	1	110185	109973	39012	44022	41627	73677	80042	81038	62896	52611	71857	1	46367	48280	68426	23756	53092	44006	136135	26173	45966	62834	64461	153802	1	15538	28374	56656	70536	59818	43744	1	24046	17885	44587	1	1	32025	68742	72127	49816	80763	1	38280	57757	76181	84762	100757	58982	19757	66011	124284	67831	67520	107628	119043	57159	76607	76282	62187	66987	163002	178069	26225	13564	110055	73500
433.7948@0.8592061	45120	46931	39836	33539	40462	48559	39407	40330	44702	38932	39353	45232	43794	42253	36312	41812	46671	42398	43792	36732	46385	49130	32277	35776	36538	38352	32978	38318	40765	33042	69810	64670	74061	76229	72047	67520	70281	78976	63858	74994	69945	65241	67114	64180	60269	66307	56928	63271	67331	61505	41180	40529	69465	70559	76376	84715	73097	69081	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14198	11234	11162	11905	12420	9759	12852	13315	9728	11807	11950	15083	11566	11679	12557	10033	9778	10920	11010	15156	12626	8915	12983	13346	12160	11127	16502	12139	15021	10919	12189	11394	10432	10199	12249	11848	12526	12832	12020	12874	9078	9211	12459	10984	12280	8165	10823	12171	11787	10497	6696	6692	5500	6986	1	5393	7049	7900	1	5529	5729	1	7527	8519	1	1	1	5952	5583	5519	7525	1	8279	7952	6435	8182	6897	5624	8050	8367	5999	9480	6460	7459	6244	6486	6216	8544	5535	10576	7359	6560	8262	1	8451	5559
279.0584@3.6520002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8202	1	1	1	1	1	1	1	1	1	22494	22225	8216	7996	7935	8192	1	1	17838	15923	7822	7225	1	1	19440	21149	7631	9067	1	1	7667	8552	1	1	1	1	9143	9591	1	1	9466	8547	8419	10027	1	1
Coronene	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14324	12827	1	1	1	1	10181	11298	1	1	1	1	1	1	1	1	1	1	1	1	21802	22973	1	1	9028	1	1	1	7001	6948	8899	10052	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10370	12663	16234	15649	11489	12513	20567	19214	14603	13723	20789	21870	20314	17791	9053	9005	16279	13664	8185	8860	9138	11893	27758	26725	11656	12768	11710	10476	26412	24484	12867	11890	23526	21207	16481	16176	17643	10000	17396	15533	14583	12451	12921	12392	15775	15738
473.6969@0.86724484	21464	20743	19714	19114	26449	28799	13873	20359	26715	20975	26673	26401	24928	26246	23922	18591	22368	19375	21519	21648	25568	29407	16835	17036	26538	23729	19998	24633	17852	18615	62732	60428	60328	60249	59070	58146	63363	61974	56019	53373	57044	55438	60572	58676	56644	56778	55027	54172	68015	65508	27925	33347	53254	53010	75173	74894	49972	52547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14864	14960	19037	17073	10180	12549	17893	17342	18023	19096	14820	17516	15932	15484	15775	16079	14966	15584	13215	14285	15492	15213	16897	17399	16330	16116	15276	17818	15400	16509	18621	16765	15362	14886	21531	19078	15600	17411	18346	18055	7304	7798	19566	21997	7350	7816	14695	17052	16814	17085	11278	9726	10610	10278	8087	8934	14981	15837	7238	7924	10737	10325	15805	13917	12087	13288	11417	9985	12838	13727	9591	9199	7296	6327	11414	9369	8269	7671	8367	8347	12591	11153	6345	7987	11734	12254	8944	8529	16347	16713	9564	9708	6538	7327	9453	7797
172.0349@3.147998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39223	1	28508	39870	56606	38534	1	39233	1	39793	1	1	1	37853	39534	30541	44237	1	1	23516	43720	46299	1	39762	52482	49170	54498	48726	33235	1	43970	1	36750	46920	36809	44866	39494	1	1	42023	43142	1	1	41011	46879	1	1	32841	53403	44515	107263	93009	64198	89388	97848	85144	103096	68313	107123	126741	64321	66836	117862	115273	49192	51426	43450	17523	51982	52052	59530	70689	76646	61325	51096	55498	64280	63388	67865	92503	49727	51669	62890	67844	61646	50924	64820	61488	92902	46649	57118	79851	62155	51416	66632	55084
794.3673@0.83520836	1	1	1	1	7672	7127	1	1	1	1	8112	6750	7402	6210	7302	8822	1	1	8918	1	9235	8175	1	1	1	1	5977	5982	1	1	25193	23823	22805	26071	23975	26457	26839	26883	23237	22695	23891	24688	28153	27610	25125	28016	23157	24603	29429	30810	26806	28811	24844	25846	34314	30308	25687	25163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10400	12079	11271	10771	7624	8778	10587	10575	13091	12636	10232	8553	9549	8809	8564	10448	9428	9224	8537	8407	9788	9264	10599	9018	9136	8349	8815	7646	10193	8767	10370	10271	11140	10433	10834	11620	11085	9717	10806	11069	5655	6672	12991	11350	1	6301	9701	9602	11075	10206	10258	10425	13117	11553	10233	8935	16086	15944	1	1	10815	12191	11913	11312	13314	13139	11713	10697	16338	17111	7124	6219	1	1	12510	13275	6394	6179	1	1	12188	15314	5832	1	12307	13325	7312	7573	17561	16962	6801	8595	1	1	7288	6919
C9 H4 N2 O7	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9663	8816	1	1	1	8961	1	1	1	1	14112	13678	13421	12901	12674	10450	9168	9879	8968	9514	24259	20039	10736	11124	11855	11396	23571	21504	9435	10695	1	1	13917	11639	10470	8810	23587	22913	7553	1	21001	23101	20333	19448	13411	13473
705.5393@0.8639994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11236	11839	14494	10384	1	7524	11318	8795	15403	15550	11532	11291	12023	12091	11481	10096	10990	11459	9060	10653	10499	10872	11794	10416	11438	10146	11623	8780	9769	10997	12544	14151	12044	11095	15994	14034	11137	12805	13097	12544	1	1	18065	15726	1	1	9614	9934	13867	14713	7129	1	6868	7372	7325	1	13908	13097	1	1	6318	7119	9480	10300	7715	9906	1	6474	9695	8368	1	1	1	1	1	6669	1	1	1	1	6629	7947	1	1	9024	8687	6358	1	17107	13829	1	6233	1	1	1	1
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C4 H8 N3 O2 S	29970	25657	27890	28488	23807	22839	30361	29951	27269	27091	24425	18795	29110	24324	19001	21196	40831	35590	29678	27037	22775	23018	23991	24170	27152	30260	24708	20787	27337	27740	17981	15599	15909	17377	14712	15381	16579	15735	12265	13627	14797	14759	11391	13821	7788	10795	12496	13168	13822	11939	6932	1	14108	14292	15821	14553	14540	16036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22533	25051	15834	21580	25701	26816	28464	27254	17909	18718	24201	24319	20782	23728	21947	13038	25724	25676	25934	20059	22686	23978	26190	27930	13968	22952	25519	24016	18614	22692	25320	28438	20273	17254	19360	24141	19274	22098	19699	19881	17295	16911	14855	17042	32683	37148	20825	20334	18904	17757	10690	13103	10410	10760	9955	9361	10582	9179	17978	16273	13574	14092	13168	12210	11552	10303	14111	13145	8429	7551	17084	14274	26990	25672	12004	12882	12760	13115	26007	28089	11013	9057	25944	29662	11339	11375	17388	17349	8813	11703	16536	17281	15816	18980	20287	22178
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330.2756@14.023001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9067	1	1	1	1	1	1	1	14181	13219	1	1	1	1	1	1	1	1	1	1	1	1	6999	1	1	1	1	1	1	7460	1	1	6440	1	12184	1	1	1	1	1	9768	13203	1	1
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1549.7311@0.8359993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9066	9227	10462	8000	7946	10060	7351	6988	8569	6940	8798	8668	11007	9773	7979	10332	9491	9208	8217	9883	10046	6179	1	9108	10736	7418	8621	8701	7108	7791	6430	8589	7994	8145	6959	8443	11318	8419	8986	8782	9630	9314	8564	9520	8380	9214	8484	9930	7074	7049	14462	13160	13366	1	12444	12313	12383	10371	11718	11874	15627	14166	12969	15029	14588	14156	13834	15850	11435	12626	13351	13306	12059	1	14365	15204	12300	12950	11255	12777	12734	12093	12009	11918	14250	12320	14702	13572	12056	12562	13898	14663	11428	12694	1	13744
268.8625@0.9309998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8438	1	1	1	1	7958	9264	1	1	7941	1	1	7922	1	1	1	1	1	1	1	7689	1	1	1	1	1	1	1	1	1	1	7723	8568	1	1	1	1	1	7704	1	1	9223	8294	9030	8626	8143	9125	11099	8876	1	1	7748	7530	10662	9882	11711	12971	1	8986	11775	11573	8710	6959	8840	1	9703	10691	9933	8856	1	1	10849	9350	1	7983	9660	9129	9480	9011	16957	16445	9144	8966	8204	8762	10218	10542
354.2081@10.953637	13882	14737	8591	13006	13186	14615	13884	10921	18234	20448	10127	14602	14260	15081	12179	12191	34048	12323	19282	13955	10239	16380	12080	18366	19156	14836	20942	18484	32527	26232	14794	15985	15761	17773	13781	17725	18780	15294	19055	19620	17230	16211	13606	15414	16469	18952	16357	16526	28392	29281	20162	22073	26668	24558	17541	16022	21179	20451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12008	12844	1	1	1	1	1	1	1	1	13935	1	11104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21575	19100	1	1	1	1	1	1	1	1	10628	11911	1	1	1	1	1	1	12400	10559	1	1	1	1	1	1	1	8045	11955	13713	1	12904	1	1	1	1	1	8520	1	1	10435	1	1	1	15170	8665	17046	14098	1	8887	1	14583	13824	13678
301.1268@0.9869997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12271	17540	1	1	1	1	1	1	1	1	1	1	15431	18387	14048	17035	1	1	18594	18994	19004	18147	1	1	15187	13771	1	1	13967	11635	1	1	14175	15359	16151	18554	13378	11450
595.6849@0.8559998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7774	10546	10519	12791	8815	8282	11440	13015	1	9826	13273	12967	12085	8568	12646	10785	13409	13332	12035	8229	14931	10682	13610	12152	11774	12485	12969	12879	13561	14066	14706	15601	13003	10731	16139	14312	13486	9618	12657	12250	7521	1	6498	13566	7791	10120	13659	13920	11832	10705	1	6822	10233	1	6988	6680	11055	8852	6917	6980	6541	6475	10337	10335	6774	10402	1	8638	1	6093	1	1	1	7930	1	7457	7046	1	9099	7940	1	8243	1	6800	1	1	7043	1	12252	7905	1	1	7845	8638	8613	1
289.1266@1.2647247	15286	14861	21853	23478	11496	11746	24291	23777	25500	23954	15000	15124	21245	19867	22942	19552	20627	20793	19526	18451	11757	12136	22192	25723	13502	15123	14253	14961	28602	29224	1	1	9952	10045	7857	7081	1	1	10358	10302	7352	6985	1	1	1	1	11002	11457	1	1	1	1	9232	7911	1	1	9909	9386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7887	7805	1	1	6459	6119	6821	7991	1	1	6921	6598	1	1	7080	7060	6336	1	7380	1	7660	6640	8534	8996	7541	8149	7146	6437	7093	7099	6728	6291	1	1	6087	1	6094	1	7222	1	7451	6764	1	1	7894	8293	7410	6576	1	1	9663	9458	7288	8443	9021	11065	1	1	1	6357	14668	14926	9586	8962	9274	9147	18868	17031	1	1	9130	8841	9367	9921	16979	17341	9330	10316	8470	8335	9493	9392	8132	7562	10227	8272	7727	7176	1	1	7236	8478	13379	11142	7436	8737
1022.64@14.024001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	149484	1	19754	1	19661	1	1	1	1	1	92090	145037	1	1	1	1	100118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11322	1	1	1	84547	1	1	1	97568	1	20173	42482	1	1
<none> nullnullnull 0.86699957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19014	18998	16884	19564	11810	11246	13315	17176	19139	16122	18104	22457	17614	15016	17341	21381	14453	18320	18632	18715	16023	18562	20940	20432	17351	16962	19905	17250	19018	16021	16620	18024	16457	21176	16785	17278	16240	15224	19929	18996	10797	10665	18295	20556	10777	10399	17914	19228	15743	19759	11989	10141	13029	9106	7223	9375	14346	10984	13820	11707	10090	10020	12071	13782	14867	13913	10594	7111	13677	12837	9363	8845	10617	8526	11526	9458	9691	11238	11191	10180	10226	13655	11509	9990	12786	14084	8128	8405	13683	12033	8106	7885	7708	7058	10630	10502
802.8394@0.8389997	55882	52717	51235	51129	67857	74563	53508	53889	59615	56173	70695	72786	63438	66219	62338	54738	55361	61412	63346	60394	69668	69782	53846	51486	63522	62294	64462	63728	52295	53232	51171	56190	56314	57606	55533	49511	56524	48496	56491	61128	56937	55001	52648	46676	51497	55474	53788	54956	47783	53183	42700	43396	61284	67752	47579	54810	52188	58081	9361	9238	1	1	1	1	6630	8817	6544	9357	9666	8186	1	1	10108	12056	14114	12245	7393	1	1	1	1	1	1	1	6489	7729	1	1	1	1	1	1	1	1	1	1	1	1	10793	11118	8098	1	10252	11534	10996	7457	11938	11050	6878	10687	11630	11101	16027	7442	16666	16041	19355	16898	16070	20621	17173	19001	18184	20291	16831	16726	18790	20125	15891	20402	16707	17198	14077	16523	17874	18063	20071	15460	17176	13985	18449	14677	13766	17325	20728	18906	15981	15613	20845	15555	15604	15867	13897	18365	20592	15398	16464	17876	16001	21385	16954	14222	14030	15981	17147	18405	16996	16122	18913	20658	14537	20864	15100	15543	14281	14801	18193	22002	18338	17509	19209	13303	13773	14884	19316	18865	15014	16585	19487	12313	13783	12357	12787	16811	15520	16646	14347	16156	15992	16340	16591	13930	19669	18977	17405	12988	14865	16179	13958	20476
334.1779@9.741642	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12633	11801	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11844	11410	14362	13643	1	1	1	1	21295	21368	1	1	14654	16534	1	1	1	1	1	1	1	1	10195	1	1	1	31904	19334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13501	14916	1	1	8041	8853	1	1	11991	13071	13895	13565	13141	12913	1	1	10823	9143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8720	1	1	1	1	1	1	1	8851	1	1	1	1	13991	8084	8102	10080	1	1	1	1	1	1
LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11165	9265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45754	44735	1	1	9616	10979	1	1	1	9642	93155	95736	97520	90058	1	1	1	1	90116	87588	181152	157220	113813	105735	104391	97455	152964	139787	74053	71926	190169	178731	52470	47318	90799	93816	146367	143246	105801	103147	112984	113577	133962	118252	105353	106826	241736	133470	1	1	182057	158410	296084	364180	151907	140311
553.6788@0.8619996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11148	13530	14632	13254	10110	8925	14431	13516	12318	9556	12206	15976	11312	13144	14976	13056	15929	11021	15408	14099	13547	14117	15063	14183	13819	16214	14909	15052	10335	15937	12019	15038	11327	10683	16166	13935	14477	13968	14731	13948	9334	8425	12698	10899	12065	11374	13425	13039	14509	12067	5820	6118	1	1	6361	1	8371	7520	6044	8015	6020	1	11003	11190	7055	8661	6414	5920	1	7026	8426	7185	6598	9443	6065	1	6710	7040	8193	8189	7805	6963	7356	8725	6885	7849	8125	7515	8459	11080	6414	8604	6851	8123	7411	7507
703.2966@7.7279983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9321	9651	1	1	1	6600	1	1	1	1	1	1	14158	15600	15409	15862	1	1	9943	9040	16722	16911	1	1	14101	14026	1	1	17084	15034	1	1	6731	7142	18392	16868	9618	9204
C23 H27 N17	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8057	8671	1	1	1	1	1	1	8088	7932	6965	8096	1	1	7647	7446	8730	8291	1	1	16683	15702	8539	10986	6978	8073	12924	12445	15300	15790	1	6190	8684	9311	7142	7727	16974	18340	1	1	19849	19704	18754	17300	10484	11250
540.2576@6.0769997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11098	11226	1	1	10644	10678	10283	12225	14392	13444	8574	7208	15910	17055	1	1	17547	17219	17018	16951	6868	6429	18692	17819	14214	14385	1	1	18302	19696	1	1	17452	17223	1	1	10690	11482	14629	13112	14007	12210
1495.6443@0.83899975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15013	12444	12652	16196	17165	17612	18011	13576	14342	15019	16277	19807	15598	14392	13574	18783	17398	16205	19063	16938	13966	15431	16727	14645	16157	13823	17681	18589	13508	16168	13768	13438	16210	14101	13341	10904	15346	15285	13532	14512	16825	15117	13979	13742	21866	14591	14842	13649	14047	14132	13088	16715	15994	15851	18068	16963	11130	13453	25224	24673	17239	15318	16370	18459	14995	18840	16590	19785	11692	16221	19386	26392	31764	29698	19091	18200	26892	29279	30293	29207	15435	14016	21457	22444	13549	17168	24178	32032	16001	15741	23813	24869	19581	26522	24199	24804
456.2576@12.777302	194237	213021	112197	75058	157754	77901	86452	96056	178727	118331	137533	152609	208443	155262	238120	221543	741610	76904	191906	78775	109723	140273	1	58965	147158	151646	66792	66564	117341	136723	101919	79819	78222	92132	75077	61033	63141	62825	55600	115787	1	43696	57698	1	136546	101684	1	11255	85349	25027	113861	30359	29547	1	1	73292	27162	75779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	109106	1	1	1	1	1	1	1	1	1	1	22014	61845	1	1	1	1	1	1	1	1	1	1	1	1	84339	1	1	1	22343	1	1	1	1	1	75525	103330	1	1	64287	67647	35590	1	1	1	39935	1	79292	1	89294	17008	153714	88989	95198	126431	15397	76450	90814	75690	73456	52617	1	56559	60896	16321	38408	80266	74664	63239	75130	94618	41773	117518	36605	1	103590	17670	105931	28526	110980	90263
312.2299@11.415996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38680	35173	62256	83828	46561	50522	43160	45058	23571	11888	32087	28224	21659	65030	47915	36111	28335	23591	61379	56657	62185	58183	29960	19043	40849	39216	30339	38497	35077	35338	28431	36895	1	40346	12527	18432	39588	40456	1	1	36162	27365	17861	28526	39493	49707	41727	53705	24104	43565	1	1	18689	1	30123	15448	38836	31944	117321	93997	16379	20496	39811	1	1	1	1	1	1	1	1	1	33354	23237	34860	66211	1	1	1	1	14468	15956	61121	103391	1	1	19275	1	30147	32869	14593	49958	1	1	1	1
181.0401@1.2739996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9428	7647	7245	6189	10066	8549	8467	10048	6106	7219	9813	8524	1	1	13161	12050	15010	17618	12655	12536	1	1	7715	6823	1	8071	1	7005	8172	9293	1	1	1	1	9673	7332	12405	11433	1	7488	1	1	1	1	15644	14034	7275	8043	1	1	22224	24037	24320	26024	1	1	27094	25978	1	1	57937	57953	13161	13203	18478	19876	69777	69470	1	1	1	1	1	1	1	1	97385	91121	14201	14846	51105	49940	94707	102777	18599	19431
C19 H27 N12 O5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7829	1	1	6822	14378	12893	1	1	16274	17501	1	1	1	1	1	1	13168	13049	19130	19466	1	1	13320	15013	18642	19412	1	1	16737	15063	1	1	11737	12271	7113	1	10883	12099	15257	16965	17725	17072
570.343@13.38	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	129608	73523	59653	1	1	1	1	1	1	54911	1	1	1	1	1	183069	300824	1	1	1	1	45777	1	1	1	1	1	1	1	1	1	1	1	1	119506	30790	1	1	1	1	109289	81810	83542	135974	297667
379.2417@10.319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13674	9867	12306	14257	1	1	18620	12017	9348	9992	1	1	13744	8041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15653	1	1	1	15767	10933	15330	20753	1	1
456.2582@12.583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	62163	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	107098	28436	109316	1	1	1	1	123006	114210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	108096	1	1	1	1	1	1	1	1	1	46629	1	1	1	1	1	1	48208	1	1
899.6602@0.8759996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9478	10119	14200	12653	18221	16872	15189	15285	13117	15810	14336	13809	12950	14106	8662	8904	16507	10213	12702	14232	12693	12056	13908	13636	12416	13240	17730	17765	11485	11276	16834	18630	12279	14018	11709	15279	15632	13288	10791	11414	9304	9390	11556	12229	19557	13901	10446	12600	13046	10080	1	1	6303	8904	1	7249	12068	10224	7353	7656	10303	9933	1	8499	9011	8089	11245	1	7036	8950	7664	9274	11427	9472	7931	7793	1	8062	14459	13344	8553	8074	8407	9843	1	9010	9126	7435	6860	1	8608	9662	8268	1	1	7553
160.0358@1.2710017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29597	23020	37764	42361	25433	42727	45616	47972	28617	25940	30169	30276	37593	40794	33554	34920	37604	39314	32539	34376	34559	31734	31227	36984	33751	40808	49271	43649	31925	34766	37182	32138	32812	34334	37507	41867	40479	38964	33704	33604	36235	31217	29528	29012	50159	54279	27607	30892	33886	34061	23642	19296	23328	24557	50283	49176	31909	33921	114505	112335	27115	26197	55402	56043	17501	16126	23180	22074	17581	15845	79462	74027	53493	49814	25021	24882	56349	59153	46598	39919	21335	21231	42846	45686	21094	21962	61161	59114	38398	43155	72969	71094	50399	47778	85962	80377
> limit nullnullnull 3.8929996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8461	7208	1	1	14528	15062	1	1	13752	14034	1	1	1	1	1	1	11215	10903	18291	20169	1	1	12055	11692	12374	12781	1	1	14791	12021	1	1	9043	10717	1	1	8050	7189	12448	11834	10736	10103
446.1267@3.3419993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11473	12490	1	1	1	1	1	1	1	1	1	1	9918	9565	15633	14987	1	1	17256	18428	18195	19326	1	1	14302	12834	1	1	6974	1	1	1	9099	9111	12523	16165	11631	11340
272.2351@11.89003	165264	94979	85228	1	31703	1	49732	30590	63094	112866	1	47866	39144	1	1	75780	100155	87477	1	1	43208	1	1	1	52922	98852	1	1	58472	47082	1	1	45558	30945	1	177377	170742	1	24421	1	71627	37725	1	94402	179844	17025	63382	1	202510	64513	91566	186273	61746	113581	78438	169822	175999	80911	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64373	1	1	1	44776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	71835	1	1	1	97075	22506	1	1	1	1	1	1	1	74971	1	1	1	62731	1	1	1	1	1	1	107682	86788	1	83468	48138	1	33244	64603	1	1	60254	37282	1	1	55841	1	19678	71615	41158	1	1	1	74951	1	1	64361	1	63022	1	24093	1	27719	1	1	1	1	40230	1	40995	1	55326	1	53381	19088	1	70088
659.7877@0.85100037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12729	16225	10915	13656	10416	9276	16900	18017	15537	15998	13516	13838	13201	16311	13479	14183	16650	18101	12959	14265	15301	16530	18725	15029	19403	15452	15796	10706	13783	14330	14827	15905	17094	12390	16450	14713	15597	15751	15432	16401	10780	6482	16053	15111	11339	1	13122	17252	15311	15613	5482	6727	5715	7357	7926	8347	11153	9070	6566	6574	9598	5394	12796	12194	7476	6397	6868	1	8861	7175	8873	6541	1	1	9071	5895	7405	8317	8406	9820	5378	6383	6780	8172	6854	9451	7525	6766	8293	10624	6949	7221	1	1	6072	6525
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1287.1738@0.8629996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12981	8846	12563	14565	8006	9167	13609	14247	16826	14798	12714	11990	14480	10747	11522	12267	12678	13233	10816	12277	12081	10537	14885	11335	14814	10963	10536	13386	14907	12411	12991	13342	11983	10531	15070	15345	12764	9345	12095	13754	7064	6693	17935	15620	1	7805	12940	15120	14497	15579	7047	7213	9076	7269	6985	1	12629	13037	7480	1	8699	8160	11148	11734	9448	9384	8176	7864	8999	9986	7029	6202	1	1	6965	7413	7104	6310	1	6567	8068	8961	1	1	8085	7640	8270	7216	14547	16160	7845	8085	1	1	1	1
341.787@0.86622113	13613	10995	10284	10778	13463	17120	13812	9836	15084	14293	8712	16339	15974	17187	13724	11067	14164	15551	14309	13605	11245	12582	11880	15310	9006	15986	11413	15411	7024	16604	9943	11996	11462	9541	9726	10836	12383	9650	12083	10986	14121	9796	9472	14565	9183	9909	15251	13838	8314	11192	7294	5758	14303	12001	11750	10718	12196	14184	6594	1	8413	6770	1	1	9313	8491	9983	9442	8239	1	1	1	1	1	7654	5847	7463	8776	8363	6878	1	1	5693	1	7635	8034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6677	1	1	6872	7806	1	6083	8129	1	1	1	8768	7631	12081	7945	7299	7585	12118	10324	7533	8675	11359	11205	10452	9225	12557	10770	9080	9915	7122	9712	10079	11491	8102	10952	11171	10604	12379	11890	9406	10216	10085	9869	9710	10440	10696	9918	11600	11692	6994	10762	6927	8180	10725	10121	8124	9587	10766	9719	11157	6951	1	1	1	1	1	1	6163	6803	6953	7229	1	6837	7303	8007	1	5333	6265	6649	1	1	7711	7465	9182	9862	6745	5689	7057	7875	8945	7061	1	5855	7507	8214	1	1	8483	6686	7531	9407	1	7340	8700	8709	5862	7298
244.2048@10.767037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	144226	104014	61464	146911	144089	1	54148	1	134108	147314	87825	147585	65868	120358	133305	47773	159370	110197	1	56553	1	1	94923	39960	142500	87045	57073	1	31507	23531	1	1	52568	1	138067	63065	118354	83014	27290	95954	51999	89062	1	129384	131777	1	65206	1	88227	1	1	78420	59689	136717	35124	42101	1	58554	1	112066	1	156717	96026	76871	122609	61944	121263	55962	34850	76744	163990	1	146432	1	121363	87937	1	137373	124320	1	1	83132	79737	139147	1	93001	79709	1	1	43015	25004	102749	44458	134660	55821
173.0328@0.93122166	9278	13258	14888	15124	11142	11115	10044	15139	17582	21016	13742	11820	10498	12226	15013	11718	53790	11985	14955	16277	7429	10382	17660	18896	15491	14512	14297	13241	17023	19937	42268	41534	49741	44254	46137	45813	50751	47674	32502	31706	43918	43838	36519	40407	24686	28808	5697	4351	42319	42313	33599	29665	40682	36795	54354	60777	55147	57115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11512	10894	10696	8226	13106	11562	14469	13351	12733	10676	9578	10094	11577	12636	9782	9140	10840	11443	6681	10790	9892	9495	13248	12269	11619	11394	13472	13971	8932	9434	13676	15790	10290	11635	15156	14528	12734	12422	12004	12302	7424	1	10383	11684	12593	14262	10269	10602	11332	9816	6915	1	7877	6596	1	8167	9796	9983	6696	8662	11187	8231	7151	7512	8407	6358	9102	7966	8031	8202	8656	8164	9407	7877	10517	7758	1	7268	10026	10231	7224	7918	7356	11177	6961	9955	8495	7719	6250	7770	8556	7420	7290	1	8500	7131
302.8311@0.86299956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11793	11818	12376	13554	11447	13037	13489	14092	12689	12263	12234	13614	10063	12666	13008	13421	13340	11939	12875	13250	12765	9905	10908	15999	13965	13770	14430	14274	12363	12124	12364	13401	11958	12478	12236	8629	11516	12555	12462	13626	11185	10421	12961	11187	11746	13393	11050	12042	11714	10479	9452	9372	1	10677	1	1	9456	11626	10489	9305	10926	10610	11573	14033	1	11806	11877	11513	1	1	11920	12086	10876	10393	9314	11363	9488	10644	10959	13439	1	11920	10108	12239	11228	1	13764	11509	13659	14896	12141	12551	10295	9439	10341	9026
745.7933@0.8479997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15879	11792	12088	13270	8035	10279	11209	13330	11811	12029	10722	12218	18616	14450	10581	10020	12540	10670	11724	12609	14315	11606	19621	17788	12066	16998	18693	11242	10615	10832	17318	13903	11164	13331	14090	13399	14013	10570	18566	10483	7503	8188	13263	14333	9612	10029	11213	11271	14464	11053	7969	7254	8901	8041	1	5557	13678	12064	6926	5580	7359	9740	12177	13804	8529	10030	5766	1	8364	8224	6763	1	6440	1	7688	5839	6235	1	7524	7618	8501	12001	5615	1	7600	8081	6320	1	10675	10939	1	1	1	1	1	1
254.0187@1.535	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17763	1	1	1	16969	16833	1	1	1	1	1	1	18269	14880	1	15791	1	1	31220	31217	21638	19853	1	1	16630	14441	1	1	18119	17741	1	1	15685	13020	23896	21678	22099	17488
314.0862@14.149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12236	1	1	1	8745	1	1	1	1	1	1	1	1	1	1	1	1	1	10431	1	9671	1	1	1	1	1	1	10273	16047	1	1	1	11547	1	16433	15828	14281	15406	1	1	7792	9878	1	1	7945	1	1	1	1	1	1	1	1	1	1	1	8273	1	1	1	8810	9262	1	1	1	1	8618	11545	8736	1
661.5535@0.8634922	13277	12040	12950	13526	17755	14105	10852	13923	13372	14441	11582	10023	14071	16794	15264	13111	13574	9780	13123	11489	17074	11841	10433	11997	12703	9535	13096	14142	10343	12646	16230	16150	13952	14995	16634	18831	15581	15965	16472	18019	15833	16225	17410	17082	16268	15729	14488	16954	15544	17723	7826	7389	15935	18243	19317	18817	14898	16510	7277	13227	11341	12602	7989	8675	15691	15481	13671	12836	16829	16138	7191	8105	9625	9809	15365	14980	14757	9795	8244	11719	6665	7341	10670	11536	11987	10027	8269	10672	8052	7288	11441	6657	7307	5271	8248	10440	1	6297	12884	12875	8291	7175	7801	12161	7975	8205	14202	17058	12268	10132	12160	12525	8501	8671	10416	13312	14100	15178	6775	6310	11833	12642	14246	14846	12669	13182	11091	10020	12141	12715	13578	13458	12243	11742	12961	15763	15176	13765	14336	12705	14157	16074	15387	11518	14536	14729	12740	13236	14549	16780	11613	11293	13927	14244	8501	8529	14959	15789	1	6734	11227	12697	16177	16807	7459	6784	8105	8629	1	7007	13373	15163	1	8710	8035	9454	12901	12199	10406	9506	6380	7631	8884	10259	6241	7007	8344	6531	8660	9971	1	6785	7828	8496	8056	10870	6813	6931	8511	11166	7186	6972	16122	15656	6480	7031	6680	6273	8049	7205
> limit nullnullnull 0.8657061	10717	10864	10190	8884	11590	12690	8963	6438	9560	11482	14048	12767	13313	13174	8397	10359	10897	6635	8558	10705	13608	13202	1	8271	11569	11825	12942	12420	7020	6820	12167	14644	14155	11126	14678	14203	12401	12808	17720	17878	13473	12004	11693	12135	12290	10936	13854	14551	7398	8282	6994	6621	14280	13891	9759	8792	14637	15691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10463	10770	13361	12196	8919	7818	12872	13235	12175	10473	12915	13564	12527	11446	10712	12616	11319	12345	13227	12536	11179	11937	10270	13998	11807	10470	12972	12610	11187	11491	10976	12758	11388	12068	14018	14014	13098	13865	13431	12567	7804	8616	10982	11771	7994	7522	13566	11820	12607	12507	8575	6939	8847	8703	6994	8986	11472	11291	6929	7515	9019	9302	13317	14123	9033	10003	8923	8030	9235	7485	7037	9180	1	1	9669	10982	6428	7467	7952	7887	7429	8547	6547	1	7445	9586	6768	10051	13340	12426	9802	8266	1	8325	6711	7047
1012.3048@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12130	12699	12154	12980	9091	11908	10740	13009	12913	13207	12456	12264	10398	10079	10244	11030	12675	12330	11884	11253	10730	11456	12036	13083	11816	12119	14098	11627	10702	11488	12806	12231	12344	9866	10451	14269	13144	12350	13957	11599	8444	7833	14559	13859	7662	10337	10606	10264	14695	11186	11764	9953	12203	10886	10000	13955	16452	11595	7453	11689	11949	12151	14079	13314	13084	12714	11371	12356	11925	11109	11787	10705	6470	6897	13064	12307	9474	9637	11328	9999	13077	12266	9146	8454	12398	12402	10227	10082	14943	15376	10546	13771	9416	9221	8851	10453
347.7809@0.8723774	35636	33636	32968	32385	34329	30837	33476	34869	29798	31659	30605	30889	34415	32257	30706	33311	35496	31366	32228	31787	30049	28322	32469	31110	30851	28310	34916	37390	35779	36565	13092	14536	13774	12340	13295	12033	15054	13005	15685	16249	16128	14429	13881	11684	15946	12485	14763	16076	13621	12370	6993	8250	13967	14932	10962	10909	9374	12554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12250	13595	12348	11185	10703	8431	14404	12491	10818	12725	14813	15157	13155	15137	17021	18691	10889	14761	18332	15681	14192	16106	14741	15850	15604	15786	16144	14615	15441	16244	11866	11412	14146	12721	12399	11722	13580	14503	13403	14229	14041	14025	10524	11817	13450	13104	15450	16983	10362	11745	10409	11457	10236	9721	9777	11194	7941	7011	14550	15323	11266	9976	13785	14204	14016	12078	10630	11553	10533	10495	14419	11493	16098	17618	10755	11575	15868	13909	15805	14913	12074	10905	13899	16158	8665	11664	12859	13766	8160	9254	16792	15351	13562	14126	12742	12502
Amidosulfuron	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11806	14919	1	1	1	1	1	1	6983	1	1	1	10948	11580	15525	16182	1	1	13239	14514	14871	15519	1	1	12071	12993	7139	1	8695	9007	1	1	9545	10866	11857	11629	12501	12844
360.0466@0.92800057	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15858	12767	20127	19943	19369	21741	17954	19327	15285	16986	17107	17322	15630	14226	10723	10952	15351	16231	12193	10185	10206	11694	16245	18376	15147	15120	23870	24432	11890	11394	23777	24451	14229	13553	22741	22463	22004	21340	14554	14314	1	1	11982	13827	21885	23015	14863	10870	9951	9805	1	1	1	1	1	1	11233	10848	1	1	7848	7041	1	1	1	5994	6171	1	5998	6919	8100	7762	1	6513	8853	7549	1	1	11878	11388	1	6012	9507	9284	6432	1	7874	7250	1	1	1	7998	21475	20619	1	6613
489.8908@0.8410004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10854	9241	8336	1	10613	8644	9532	10515	7608	8752	9515	10455	9250	9079	9670	8190	11266	11301	10933	8830	9143	9005	9313	10166	9305	7905	11660	7105	7641	11143	10004	9304	8594	6960	7145	7231	10390	10308	8121	8793	10539	8033	8073	8046	8914	9716	7475	8583	9277	8657	7913	9504	7708	9043	7688	9758	7622	7507	11005	9965	8744	9270	13133	11054	8074	6877	10641	9510	6452	8568	11321	9904	10384	13758	10681	9289	11711	11913	13451	12924	7875	8260	11961	11378	8676	9142	9252	10464	8764	9355	8530	11239	11719	12779	9635	11579
460.3342@13.703002:2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38954	54378	19623	40256	40017	45902	46771	47929	51135	46201	33261	36041	60439	57658	65680	52700	38984	25263	39956	65609	21316	68020	33043	63510	44806	51585	49336	55094	50104	55667	56640	60339	47086	58758	47997	55892	26789	74315	79269	66851	32044	58035	39252	28794	49421	45415
394.18@11.266254	49716	63862	50760	61947	66837	115755	64984	73000	57729	63789	58246	69007	47269	63254	46653	54884	34207	50823	60258	36460	69533	59104	45944	51861	73880	79996	56355	75007	84938	47029	70940	66177	76597	55226	59306	64613	79699	57450	70606	16639	96651	73058	17562	64974	42797	51315	62040	79988	92835	27356	93367	106286	90103	103939	104196	67969	77750	14731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14376	15012	20459	18402	19430	17077	17300	15997	155980	139738	19308	20815	15687	14415	16288	15045	13447	17821	16315	14850	19192	20451	14651	16957	16716	15388	14866	13907	14179	16551	14020	17948	19135	12274	16224	12868	21001	19947	18336	16444	17873	16500	19776	16127	35443	35642
432.3239@12.494998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6254	8294	1	1	1	1	1	1	1	1	1	6617	1	1	1	1	1	1	1	1	8024	10356	6473	7297	9292	8787	7484	7995	9584	8823	1	6596	1	1	1	1	1	1	9863	7698	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11877	9065	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11440	1	1	1	1	1	1	8189	1	1
392.2173@13.377005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11761	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9871	1	1	10490	1	1	8518	1	1	1	1	1	1	1	1	7760	11848	9464	1	1	1	1	9266	1	1	1	1	1	9602	1	1	1	1	10461	1	9067	12492	11137	1	1	7992	1	11759	1	8267	1	9909	1	1	1	1	1	1	12379	7439	1	7484	7932	7900	1	1	1	9213	1	7446	1	1	8833	9098	13467	9546	7753
Glycyl-L-leucine	13319	12984	11606	8276	1	1	9470	8312	10218	10980	1	1	8057	1	8473	1	15938	13747	8207	8258	8336	8139	10161	11959	1	1	11450	11066	14542	15551	1	1	1	7924	9073	8850	1	1	11772	10042	1	1	1	1	9388	8375	13653	11409	1	1	1	1	14553	14222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11943	11804	1	1	1	1	1	1	1	1	1	1	11543	7576	14200	15611	1	1	9575	9842	15983	15466	1	1	12887	13447	1	1	9973	9603	1	1	11339	11445	12544	11887	14388	13698
234.1615@11.363739	16757	25135	17369	18970	15541	17279	15234	17387	21954	17229	19054	22105	31008	17575	22121	22104	46308	24527	22561	20819	23962	24337	15881	16877	17012	15533	14652	14701	15911	15510	16358	18547	15233	14744	19058	14354	21071	20309	23118	20807	19149	18943	17058	15399	18143	18263	19928	17286	15975	13597	14596	15975	21188	18891	17481	15202	19302	18816	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12371	10884	11696	12345	12690	11339	10957	12768	11220	14372	14822	11738	14684	12624	13304	11794	13264	10303	13979	10267	12549	13121	14227	12764	10993	12164	13397	11862	11581	13908	13716	11733	12113	13191	10195	12621	11880	12643	12001	11616	14429	14259	11100	10262	13695	11128	11380	11261	9948	10389	15223	16861	14114	12335	14434	13111	13435	11659	13849	13389	20434	19125	14475	13948	13428	12420	14058	14086	12374	11758	11760	12905	12277	13359	11981	13805	13889	14386	11282	14483	12055	13491	14997	13848	11558	13322	12395	13785	11765	11201	14112	14476	12022	23538	14849	11538
453.7766@0.84709674	71236	70218	74347	71763	68122	69464	72648	72564	72609	73816	69889	68086	75265	78298	60267	69807	73526	79835	75200	70057	58435	63614	70204	67519	69546	73320	70650	64458	71511	78238	46533	46989	44446	42476	34322	44000	38011	47459	53398	55773	44424	35513	32737	36415	47631	48182	48773	51202	39548	40685	22532	18344	50086	46588	38608	38148	49767	43548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54288	55253	60916	60434	54756	53005	59408	60214	58314	62854	51946	56500	55457	64402	52802	60221	55130	57413	60010	51259	57808	51381	54878	62996	50916	61136	60339	65068	51801	61206	55025	61104	54197	53364	57844	66288	62158	54920	58095	52606	37915	49397	57488	52798	55986	45973	59432	49397	51005	56766	51834	48263	48568	54569	1	38128	60427	59012	42024	45561	46373	53417	51190	57277	57746	56253	53266	55773	55958	56381	53809	43448	43834	40760	55188	57045	37539	42774	50391	41122	58214	59434	33644	45724	55195	59443	57629	50033	58140	61230	53146	56987	50023	44546	48560	46128
C12 H6 Cl2 N O S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39781	36799	38107	34521	33155	28619	37110	41551	32490	29637	39129	40286	9489	35704	44249	45991	44444	42758	47524	48519	44202	37743	39004	44447	47132	44881	16743	45993	42880	39830	11206	28839	9128	36982	1	31242	17515	46554	33818	36396	36221	37302	33862	29803	45622	35268	45172	49068	30028	38242	1	1	1	1	13605	1	1	1	24596	21814	1	1	24444	26235	1	1	14071	1	1	1	22066	22294	33571	31269	1	1	21867	19165	30199	31295	1	1	23640	28419	1	1	18136	21023	23737	20143	19675	23406	22590	26153	22096	26639
644.8671@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13105	10430	12132	11407	8776	8954	13906	14711	11208	10012	12003	8543	11322	10542	11301	11914	11714	8863	9899	7448	12311	12375	11750	11605	11078	11891	10156	8806	11053	10901	14014	13219	13531	9813	13704	9637	11988	11399	11768	11521	8604	9406	12087	11350	11376	12670	9207	10075	10024	13409	8413	7328	7209	7499	7487	8524	9952	11170	8226	9506	9060	9855	10232	10813	9040	9645	8152	7674	7930	8638	10681	8266	9249	9957	8194	7724	8777	9020	8518	9570	6780	7687	10036	10543	1	8596	9191	7656	12518	8905	8308	7765	8181	8613	9459	9657
681.7198@0.8740004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20244	23373	29243	27796	25498	24084	31148	28160	16499	25999	27193	30077	28696	21072	27434	30105	31512	23205	26987	28667	24865	24151	29180	30327	28194	28624	33047	34759	26870	32941	36111	28552	31063	26486	23308	26336	28391	22885	25322	24522	21789	15743	19260	20637	25163	19376	26897	25402	18674	19767	1	11297	10455	1	9139	7992	13122	19997	13617	11093	11330	11822	13413	11776	8748	1	16177	12696	1	1	11484	12128	15752	17241	12262	12165	11110	11200	16214	20178	1	1	13938	13071	10894	13134	17551	13916	14415	14398	16492	10443	9494	15329	12201	11399
183.9958@13.452008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23897	130857	306129	1	88307	98015	1	1	35733	63614	1	71775	1	47182	14964	1	1	68018	81246	1	1	1	52463	1	192700	151241	1	116665	69960	1	1	160753	91012	18533	1	170132	82091	1	92592	311855	56792	88125	90450	80321	128215	161792	57034	146227	210812	122836	1	164109	200822	73257	131138	1	275239	58960	48224	1	53422	322852	1	73308	89635	1	70941	1	369504	128016	1	141692	162901	1	49058	11484	1	1	103564	393497	1	1	1	1	23363	1	143907	1	1	40728	80106	159292	71162	32743	353591	146205
242.9671@0.9054527	53304	56353	74563	80366	36761	33495	83568	84398	72310	70851	41728	38434	58506	56711	59092	60007	72435	66537	58859	62806	31097	29872	96982	95434	56568	55904	48570	50526	83833	79648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6812	1	8018	7317	1	1	1	1	1	1	6093	7490	1	1	1	1	1	1	1	1	1	1	1	1	6842	1	1	1	9147	12105	1	1	1	1	1	1	1	1	1	1	1	1	5761	1	1	1	1	1	1	1	1	1	1	1	9052	9229	10169	11538	1	1	10861	10766	11731	10999	1	1	8567	8035	1	1	7094	6886	1	1	9373	1	13176	13091	8485	8666
C5 H Cl O2 S5	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9390	10620	7533	8881	7304	8263	8548	12610	1	1	11422	10923	8340	9584	11595	12197	9437	10063	12625	13914	12027	11853	10746	9430	10362	11588	9231	10676	10058	11999	8662	7099	9888	10533	8316	7923	8659	12710	7964	8640	10429	9135	6909	7909	10851	9745	13632	13317	8768	6958	9212	9330	6206	6829	9805	7072	1	1	11885	11627	8711	9221	10309	11275	8270	8426	8970	8296	1	6860	8783	10666	14424	15701	9012	9730	10653	10580	12049	13074	8965	7961	10838	12155	7608	7551	9753	9220	1	1	10670	9819	8926	10712	13326	10453
648.6211@0.87300056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22617	25685	24198	27352	16433	16683	27989	27724	21264	23797	27930	26222	24198	26561	25132	24168	25191	23510	25083	27825	22893	25577	27616	26098	25488	24026	29681	25796	28261	24158	25533	26157	24156	25560	23228	24063	25114	28491	26527	25962	16089	14263	23891	22960	15390	15648	28064	25970	24042	24520	7761	7069	7530	7419	7151	7180	13115	14560	9054	9254	9330	10094	18712	14781	8899	8741	9445	11142	1	8289	10232	9874	9738	10206	10146	9488	9861	11620	10347	11117	9438	9152	8755	10304	8961	8559	11222	8973	17025	21254	9897	12121	9552	9349	10773	11557
estrone 3-sulfate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69315	66421	1	1	76675	81741	25621	27164	35920	34840	64614	67265	23939	22776	19610	18090	20502	19704	105334	105536	160856	169637	39283	35690	10117	12681	1	1	10777	9198	40128	40047	19000	16560	13827	16852	14029	14521	44357	40909	58715	55930	1	1	57015	57531	13501	15018	17139	16985	1	1	1	1	1	1	1	1	38764	32923	16527	12251	7104	6037	1	1	14401	12734	1	1	21198	17427	35542	36593	7355	8174	21543	20289	42982	43664	1	1	35583	28072	1	1	25344	11178	1	1	21442	17722	27726	32354	23461	27728
314.2444@11.780896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35622	25741	60481	77863	26713	24464	11747	114007	14339	65384	20189	151378	77850	90250	146479	110359	19792	33833	96048	31196	41589	50575	40967	30565	21266	21206	84839	39071	22219	97595	34377	44580	68285	1	25218	74437	77207	60303	17642	26388	53489	17068	97665	64159	99613	57788	36780	18071	73678	113481	1	78964	1	1	17392	58880	13583	103007	84915	87162	32237	69458	1	74195	1	1	1	93024	69278	1	1	81841	34770	77196	1	1	1	1	1	1	122453	1	1	1	1	1	22745	1	9632	96528	1	1	70733	77100	1	102034
194.0933@8.919005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41630	26681	45948	27618	30760	42025	58821	39872	39488	43679	42333	47235	46082	51926	63847	32828	48547	1	33630	46823	45770	54729	58997	56532	33919	47994	30788	1	28204	43919	45697	66378	24711	29211	68928	53661	41348	45672	44992	52868	28791	45734	43621	46013	29856	49178	26798	51471	40556	28862	77819	85221	75051	80496	88290	58133	99026	66082	56775	53903	78523	79649	85712	70957	71908	79668	49425	50631	46061	47153	62837	32485	57700	59327	53861	63611	48213	25097	71945	36170	52771	56134	36211	38935	53089	30366	60843	39137	63574	59234	56730	53084	55570	54389	76424	50490
N-palmitoyl taurine nullnullnull 11.208006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8043	9758	1	1	1	12199	1	1	1	1	19986	23104	1	1	1	1	16687	14447	18451	17622	25007	23467	18895	18988	22101	20777	34187	33864	23639	19325	7770	1	1	1	1	1	1	1	1	1	14145	10634	1	1	17020	1	14807	16317	1	1	36665	43055	106266	80623	354047	221404	106117	79796	23311	1	229855	173235	83518	59090	19676	16545	78603	50276	16038	11356	126440	65562	23293	14258	28671	27086	196739	165687	19368	15900	21038	22577	57155	23317	25118	20670	955088	117000	44501	34932	270786	131153	624180	1023452	129807	73258
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681.7387@0.86299956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18187	11300	17404	10238	13530	13221	16072	14254	19715	17146	13500	16585	15406	14049	12831	12466	16453	14361	13972	12411	16455	18590	17012	14840	17379	24806	16593	19700	16698	15217	17583	22245	21270	13948	21719	17718	16771	16058	14760	20965	10300	15475	17000	17493	15992	14746	18601	16455	12442	15960	11556	15307	14045	12402	7128	11484	17335	19220	9292	15311	14838	16650	15751	12334	14926	11841	13802	14749	15453	6851	1	14313	10909	17011	15698	11066	11344	13121	16255	15058	12342	10289	15641	12892	12628	13542	14382	13559	10550	1	15382	13609	1	8982	9345	11943
1229.4142@0.87099934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9488	10895	16128	14611	16696	10114	12191	16720	12967	15258	15773	15699	12826	13447	15564	11057	16449	17281	13761	11649	12665	11999	12866	13903	13682	1	17060	16011	15008	14592	15294	15497	14204	15723	12991	16996	17386	17726	14314	13478	7659	8526	12076	13594	1	9667	13424	13008	11544	9627	7744	1	1	1	1	7412	1	11512	1	1	8103	8963	9492	10267	1	1	9116	1	1	1	1	7570	6847	1	1	7467	7032	1	10383	8194	1	8905	1	8414	1	1	7541	9210	1	8921	1	9184	1	8403	1	1
567.2832@7.9608545	7823	8170	1	1	1	1	8693	1	25513	22484	1	1	11178	10220	14541	14029	18181	8308	12132	8632	10541	11079	8881	10510	1	1	30392	33376	22777	25564	26248	27053	25483	24788	45243	46815	52360	49878	81602	81717	45957	45581	25840	25514	38820	36772	42479	42477	9839	9870	1	1	50170	51186	1	1	22809	25567	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15629	14810	1	1	1	1	1	1	1	1	1	1	1	1	16971	16008	1	1	1	1	1	1	13461	15795	13699	9024	1	1	1	9778	1	1	1	1	1	1	28470	27821	13186	14715	1	1	20854	5986	1	1	1	1	1	1	1	1	24404	26418	1	1	6747	16801	31873	29225	1	9267
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461.8769@0.8519998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21252	21069	22796	15813	32587	32385	26432	23234	13888	12026	24967	26687	26039	26049	27173	26704	21421	25628	26760	30489	23204	22182	26310	31227	25576	26690	27198	26230	23122	22638	18158	21496	20390	22271	14124	10682	27177	27508	22400	19077	26759	27153	15468	14150	41946	41751	24209	25185	15290	17503	16501	16438	15922	16444	19537	16781	11064	11190	27652	29835	15294	18280	18787	21474	13990	15411	21813	20439	13388	12253	33311	31541	42722	43459	18561	18332	32468	32774	36901	36395	14729	15758	35364	36174	16666	15598	29354	30032	14002	14182	31863	28449	39545	38048	31516	32077
741.6992@0.8759996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9028	11117	11975	18950	13682	10697	21045	13103	14825	15472	16499	14460	13682	11516	11047	10287	16423	11269	10972	7848	15440	12812	15417	11492	9293	9293	17632	15825	12860	14940	21839	20123	15324	15327	19905	14747	18923	12446	14172	16250	1	8121	14603	12214	11842	15365	9988	11985	13777	12391	1	1	1	1	1	1	10036	10105	7254	7855	9464	10559	8719	11450	9856	9570	11838	7511	1	1	8633	8644	9687	10093	9060	11547	1	1	11439	13736	9521	1	9659	6782	11204	8959	9921	9168	1	8713	1	7918	1	1	1	8238
222.011@3.4990003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10676	11036	1	1	1	1	9853	12426	8289	9809	1	1	9611	9596	1	1	10374	9990	1	1	13581	13926	15634	14469	1	1
494.3682@13.38599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15893	26173	11481	20446	27293	1	16553	9872	19640	17267	26344	11800	1	24923	30025	1	15362	23552	9802	20258	20433	21346	30670	26386	12352	16194	12873	14431	22797	26522	12104	21351	13574	19291	11696	17853	13338	23435	1	16479	26367	33786	26188	20689	19346	13360	11422	25220	17472	15897	81757	68054	16785	61598	53470	58912	17133	18647	1	1	110764	28845	37175	42968	20325	57716	36431	20253	47224	61477	47943	28697	26528	18415	39371	24082	18256	52682	49843	19762	63252	33163	18179	75032	49985	67407	32733	32953	31155	32315	25690	43010	40485	24944	37129	46582
F4-Neuroprostane (4-series) nullnullnull 9.153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19081	21335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	127613	136431	1	1	36171	35425	1	1	1	1	1	1	73013	63333	79907	82480	1	1	31856	31535	132583	124167	17975	1	82746	79017	1	1	55891	55862	1	1	109038	116653	37577	39685	71292	71446
1412.7443@0.8379999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7983	8525	8558	9954	8791	7167	8529	8215	9027	10267	7701	8846	9410	10804	8859	9103	9980	9653	8716	8958	7879	7111	7613	6394	10146	10282	8841	8446	8775	8628	8670	11291	10579	7054	7704	10725	9086	10171	9626	8422	7933	6522	9160	7982	7789	7271	8389	7633	6932	8825	9027	9771	8487	10929	11372	9684	10803	11321	10587	8008	11848	10143	12750	12215	12888	11361	11434	10558	8732	11035	12146	9789	8963	8641	12671	8384	8639	10030	8927	8542	11199	12173	9128	10144	11752	12618	11199	11326	12237	12219	10906	11648	9902	11448	11443	11177
398.2334@11.13289	1	1	1	1	8860	10968	1	1	9070	8511	1	1	1	1	1	1	13696	1	9044	10936	1	1	1	1	1	1	1	9192	19021	21859	10742	10059	11502	12714	11224	1	11261	7946	1	10065	10983	9752	10821	11258	1	1	9556	9326	15862	18694	12024	14919	11791	14277	11082	10167	13709	10897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15635	16105	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13809	13411	1	1	1	1	1	1	11647	1	1	1	1	1	1	1	13815	8525	13529	11295	1	1	1	6803	10728	10524
286.1049@4.1900015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87783	1	87006	83600	87973	96495	110663	96693	49710	51267	50788	83490	94333	82014	115335	102844	99858	176838	121427	108593	121105	29733	101991	78366	75563	72278	109732	107298	74507	86550	69235	81423	76499	78558	79551	40585	113129	114160	57414	66411	169948	158498	82673	52276	168473	130792	110179	111835	102077	76620	1	1	1	1	58043	60940	66712	68754	67192	76311	1	1	83291	93947	1	1	1	1	1	1	58477	63991	174935	149694	56415	48756	1	1	29119	58048	1	1	83421	110930	1	1	49396	51343	1	1	1	1	1	1	67027	66638
587.6284@0.8659997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20721	21981	21545	22039	9917	11374	18307	18562	24846	24834	19755	20157	18484	16833	20485	19216	22186	18773	17517	19798	17851	20402	22113	21121	19956	18420	19437	18968	22132	20044	22258	25110	18865	19470	26973	23252	18247	22299	24592	24132	10054	10410	24842	24294	9615	10203	20261	19021	22210	22270	11094	11308	11664	11724	9564	8757	19261	21083	8341	7206	11559	11310	18167	17912	13810	13845	10221	11725	15468	15551	7501	8152	7031	1	12033	13495	7991	7829	9000	8827	14196	13530	7337	7057	13418	15232	7672	8501	21130	20545	10041	8934	7480	7497	9217	8844
420.2465@14.025001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9807	9535	1	1	1	1	1	1	7681	1	1	1	1	1	1	1	1	1	1	1	1	1	6845	1	1	1	7718	1	1	1	1	1	10266	7350	9893	1
712.8588@0.83999985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7798	7588	9515	7735	5989	1	8123	6483	7841	6595	8158	8886	6776	6168	7908	8332	8750	8365	7940	9369	9516	8828	7535	8074	9210	8763	7328	6530	8076	6401	9408	9142	10209	7921	6615	9487	9556	8973	8317	8304	1	7954	8090	9516	5724	6280	7882	8773	7780	9538	5920	1	7971	6884	1	1	10108	8177	1	1	6926	5524	8088	7583	7973	7052	7105	6447	6610	7054	1	7351	1	1	7034	6580	6579	6638	1	1	6289	7050	7241	6416	7097	7811	5983	6434	8901	8834	7600	7874	6872	1	5574	6714
226.981@1.066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14286	14525	1	1	1	1	13576	14306	1	1	1	1	1	1	1	1	15135	13991	1	1	13488	13800	13948	14003	8920	8529
1463.0334@0.8650001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10782	13627	13964	13614	10433	10199	13730	12692	11837	12701	14426	14741	13973	13895	13448	14135	14093	14011	13285	16289	14503	14392	15067	15321	13995	14558	14724	14198	1	14208	11764	1	13611	12318	11445	13300	12346	14196	11548	11610	8206	10953	13097	11614	11816	10991	13783	15111	11846	11555	8482	7902	8114	8710	7309	8797	9677	10233	12816	11037	9322	8925	12348	12598	11017	10479	11555	9216	9719	10043	10991	12341	12157	13956	8908	8155	8272	9788	14337	10025	9835	8072	12487	11238	11600	10119	9728	9825	11237	10415	9891	10993	10144	10952	10512	11709
> limit nullnullnull 0.8440009	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9250	11424	1	6911	11511	10932	10321	8528	1	6426	9302	11994	12804	9294	10857	11230	5888	1	11143	13101	11349	8611	6326	7909	13116	7985	12560	13729	11419	10390	8858	1	11469	7770	5868	1	11111	9969	9803	6976	12560	12782	1	1	17444	15426	11353	10104	1	1	8187	6229	5806	9298	8713	9412	1	1	14833	18067	7231	6750	8363	7390	6987	7864	9028	9794	1	1	15655	11768	21407	20418	1	5924	14963	15960	20029	21071	1	1	17336	17712	1	1	13968	13580	1	1	13506	11826	15499	17216	15329	15091
Hypoxanthine nullnullnull 1.2860003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28519	28610	1	1	1	23734	12038	1	13382	1	12894	1	1	1	1	1	1	1	1	14921	1	18040	1	1	16363	15382	1	1	12219	1	20458	20269	1	1	1	1	1	1	1	1	11426	11275	1	1	1	1	1	1	1	9244	428814	90680	641742	638050	545277	121173	97157	414095	839586	873843	625522	606831	1019037	989824	526646	525543	678625	657987	367455	372561	1327881	1363500	1199768	1231950	648666	634857	1321869	1294880	1252397	1298262	480123	466848	918368	907700	416442	427426	1165264	1157580	490190	479802	1137787	1161652	1687321	1722794	939810	915222
1189.7651@0.8376225	12771	15564	16148	14612	22771	21911	10274	12562	17466	13735	22753	21837	19559	16426	14184	22894	14308	17533	15852	16105	20996	21409	14532	11561	19992	21667	17289	17188	12025	12560	36802	40117	35841	41070	42359	37893	44307	38472	36209	40858	40210	40351	39419	40407	40569	36916	43811	34848	37728	41993	38911	38005	40755	42753	46141	41625	41499	41259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12215	11835	14762	12146	9013	11384	12093	11107	10862	10853	11537	10380	9858	12095	10111	9673	11235	11702	12275	12179	8733	8845	11188	11083	13374	12824	12196	10535	11165	11221	10507	11736	11549	11215	10584	9600	11686	11008	9801	12733	7877	9160	11457	11124	8816	6170	11804	9032	10670	12061	12121	11696	12569	13197	10104	10899	12207	13093	9175	9013	12285	10719	15006	13863	13386	13622	14618	12890	11396	12276	10466	10699	6844	7888	12524	14758	10937	8539	9297	11748	13838	11459	9539	9131	12605	12911	10823	9760	14374	14857	9349	11587	10234	11064	11781	10509
394.1787@11.023736	80840	87574	89962	109795	96875	93719	96441	49359	100904	93325	55253	81055	77983	41862	34727	75634	74207	70753	74778	84462	75185	75593	94192	106346	113353	107265	118001	56208	101377	56959	92804	96026	107469	97080	65381	65433	74813	59568	113643	68096	95708	119621	90801	53055	71313	92038	42484	110442	112524	102114	120118	125701	131008	102615	104282	84142	98630	115808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17028	32780	31003	1	1	1	1	1	1	34955	58949	56541	39637	59852	62925	59009	52069	67200	54114	52574	53683	61430	51506	50160	37892	63438	57108	55615	46046	60691	27420	50086	61606	55073	56552	60052	66450	53777	61950	54648	57245	58678	54873	52493	55160	52299	57109	58043	56927	56389	57504	59430	80357	69004	56847
679.6203@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8753	8692	12274	9119	8731	1	11931	11622	10995	8177	9632	8046	10775	10959	7730	7679	9269	8602	8646	6752	11051	1	11757	11402	8955	11095	12359	9324	8127	9709	9873	9293	7900	11568	10276	8597	8979	9236	1	11687	1	6259	9777	7929	6438	8201	10118	8753	12647	8320	1	1	1	1	1	1	1	7314	1	1	1	1	9177	8627	7000	1	1	1	6452	6405	1	1	1	1	6124	6733	1	1	1	1	7777	1	1	1	1	1	7458	1	8236	8653	1	6983	1	1	1	1
594.4959@16.757998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38145	33000	1	1	1	1	1	1	1	1	45086	46546	54594	42604	168087	76721	42621	25790	20616	1	222031	156504	24019	1	1	1	49573	29377	15421	1	25591	1	20207	1	13329	11748	20065	15477	11326	1	16199	14586	22637	1	15419	14016	188462	1	17178	1	50150	17295	148675	264532	25134	1
699.6801@0.8645235	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8558	9008	9019	8105	10264	9908	11510	7325	7359	9685	8149	8142	13224	8937	12589	11340	7099	13560	10850	9999	8860	8781	9192	7315	8505	10881	13264	11751	11337	1	1	9766	8699	1	6997	10209	12748	7347	6883	9706	9807	1	8945	9519	8989	9236	7190	1	9085	1	1	1	1	1	1	1	5787	1	9308	1	1	9566	7330	1	1	6696	1	1	1	7054	7673	8375	8060	1	1	7094	1	6439	6944	1	1	7480	1	1	1	8941	1	1	8813	7754	7089	8283	7086	1	1
262.0144@3.695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9956	10004	1	1	1	1	11807	13555	1	1	1	1	1	1	1	1	12434	9883	1	1	11130	10577	14259	12797	7423	1
853.5873@5.772002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8602	9315	10293	8763	9036	9264	8547	8455	1	1	8174	9053	9085	8664	16569	14793	14431	13955	15427	15167	11334	11798	11366	11407	12586	10958	10976	11660	11299	11347	13499	12223	12555	12697	12223	12823	8238	10368	10239	10972	11313	10416	10230	10182	6938	6926
209.0056@0.8530002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11620	1	1	1	1	1	1	1	1	1	1	1	1	12505	12326	11501	10797	11071	1	1	1	15065	13611	1	1	12538	12508	15471	15899	6465	7749	13398	7847	16609	16488	1	1	16212	17946	1	12086	10117	16976	1	1	11705	14332	18662	10674	14194	13449
693.8223@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11765	8440	9307	11552	14050	9519	14377	11762	8836	11338	11963	10768	11306	10374	10911	14919	9586	12581	11758	10724	11676	13493	11562	12317	12285	11558	10832	10355	12397	9928	12243	12983	11886	9175	9617	9270	12523	9574	8736	9628	10825	11310	8609	10347	15096	12069	11787	12965	8739	9269	8865	8317	6783	8409	10197	8073	6748	8966	15169	11727	8578	10467	11556	10853	11427	10291	8336	7399	6462	7325	13161	12388	15593	13868	8724	7606	12228	13493	13067	13484	8268	8781	13706	15690	8930	7904	12349	11729	8224	7416	13157	11367	13443	13420	11959	14790
671.7815@0.8510003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7205	1	1	7321	6916	1	6661	1	6807	1	6443	1	1	1	7782	1	1	7609	5598	5903	1	1	7372	1	6515	6937	8133	1	7630	1	1	1	7295	1	1	7607	5811	1	1	8037	1	1	1	8564	1	5889	7853	1	1	1	5665	1	1	1	1	1	1	7057	8829	1	1	6876	5958	1	1	6458	6106	1	1	10664	9998	11810	11924	5582	5632	8627	9330	9917	1	1	1	9684	10487	1	1	7840	9056	5292	1	1	7412	11398	10828	7875	6741
677.639@0.86700034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10317	10126	11701	13924	6806	8259	9280	12025	10615	8904	11225	8328	11022	9916	14071	11971	12259	11963	10054	9761	12695	10785	10291	11535	9650	13526	11550	11393	12067	8752	15948	12172	13238	10841	10978	11512	10742	12554	11789	9968	1	6760	10025	10587	7725	6469	12887	12481	10822	13098	1	1	1	1	1	1	7367	1	1	1	1	1	7191	9140	6115	1	1	1	1	1	1	6378	1	1	1	1	1	1	7933	7886	1	1	6153	1	1	1	7459	1	7706	7543	7008	1	1	7458	6978	6120
515.997@0.84199965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12116	11966	1	1	1	1	8007	6769	1	5765	6953	6393	1	1	9298	10518	8518	9113	1	1	7280	7376	8018	10474	1	1	14418	14279	15411	15506	7344	8110	14504	14110	1	1	1	1	9008	9835	1	1	10146	8273	1	1	1	6973	14974	16386	8320	1
378.1084@0.9540003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33225	34193	11926	12546	47480	52858	27191	27922	34041	34443	26669	24669	19723	20514	50684	54260	31461	29403	30382	32129	56756	58556	43159	43632	38107	37152	17768	16799	52561	48258	34522	37497	28185	27718	56487	53779	40678	43742	47605	46857	75616	82512	93861	94461	39046	35279	30951	29912	82956	86072	35231	32882	58503	58736	32304	32361	23005	22155	14387	16679	35645	37828	66726	66199	32059	31432	56656	56733	19967	18690	34900	35960	64383	68993	47425	48918	32238	35181	38846	37038	25768	24781	51945	51239	21168	23993	33562	34420	77449	78459	30266	30210	37794	38200	221961	9105
1027.2858@0.84600055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9113	1	1	7757	9528	9367	1	1	7852	1	11689	9713	1	1	1	1	1	1	1	1	1	7944	1	1	1	1	1	1	1	1	1	1	1	7114	9439	11285	1	1	6500	7246	7305	7860	11461	11717	6650	1	8172	8022	8659	7746	10656	9976	10179	13192	6664	7081	9284	9981	10875	11098	10695	12137	11480	9478	9992	10372	10361	8436	8731	11032	7875	12100	12582	9430	10022	9484	10310	12036	8664	8065	13232	12730	12331	9208	12944	14501	9715	10735	9253	9562	6931	1	11484	12851	1	1	8310	9106	10991	11179	8704	7733	6289	7178	6946	7772	13693	11118	6924	7632	8865	7487	10565	11129	7876	6770	7548	6849	8304	9550	6500	6786	7868	6965	6518	7843	7376	7010	7817	8237	7984	7030	6425	6916	7016	9302	8245	6661	13899	15558	6288	8776	7919	6138	6338	6892
C4 H3 Cl2 O3 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16073	17094	9297	11054	8609	9585	10458	11588	7715	1	7355	1	9611	10168	1	1	1	1	1	1	8455	18869	7026	7120	1	7521	10174	12230	7703	6844	9005	10619	10273	9111	10559	8410	10255	9521	8397	10649	1	1	14939	13900	19157	12323	1	1	11226	8452	15989	16101	11623	17968	14307	15825	17325	11073	11358	13927	12270	16641	16881	21189	13267	17485	15024	15491	1	1	15963	14916	1	11507	20693	16293	16017	11782	1	1	18215	14575	14335	13059	16857	18352	1	1	15587	21290	17880	17339	13947	16034	19956	14595	14166	15684	19036	15403	9393	10298	13775	10977	16341	16665	20717	22831	18331	12979	20643	27180	12270	11237	14588	16275	12827	14193	13171	12159	10017	13141	22112	16879	11649	12401	18392	19225	16673	13852	26377	24966	13423	12907	10990	10338	11944	13749
645.3335@4.766999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12286	8875	14631	12385	9489	10171	1	1	1	1	10277	9994	9306	9463	10128	11318	10130	10221	10679	10234	13008	12288	1	1	11625	9367	14171	14219	6722	7535	13928	15102	7023	8977	14624	14017	9254	12457	1	1	8865	13574	15838	15422	1	6740
419.9792@9.375138	16321	18204	15471	17546	14018	14370	15263	14486	14949	15746	14306	16387	17705	16519	16870	15282	21180	17029	14103	14988	15290	16854	16267	16170	14802	14136	15936	17622	17058	17019	16304	16697	17184	18972	12933	13476	15983	14476	14144	14574	15351	17237	14496	16066	17403	18260	14428	15876	15244	15710	15624	14606	20422	19627	16830	16792	24691	23145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9906	11382	9741	1	12694	12972	10944	12092	12130	11478	12016	12208	12313	11926	11798	10823	12051	10119	9861	10397	13368	13545	15963	14526	9893	10021	11858	12086	13308	14152	9112	10259	14139	13544	10730	9230	14837	11112	11520	11992	10448	11071	12032	14512	11785	12401
711.7812@0.8529997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14447	16620	15021	15740	16014	16442	19626	15013	15522	12004	15577	10578	17430	19509	18075	17116	12527	13681	10093	18815	18425	16528	17850	21772	17906	16539	17929	19773	17441	15329	17765	17495	14657	19285	12464	16078	19208	18887	17832	15474	18358	14514	10658	12089	20146	17465	15910	17918	10579	14194	11029	9911	9878	11052	8503	11591	10828	9237	15305	13408	10630	10873	17507	14750	10165	9388	11437	12325	7072	9615	14794	18231	16025	15138	12180	11208	15261	15388	17347	17283	9910	9703	14797	14713	9946	10337	14192	15341	10514	12891	13326	14661	15185	14312	13003	14783
318.1441@11.566881	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7660	7059	1	1	9001	8719	1	8142	1	1	13080	13451	10371	11470	9921	8876	13619	9944	9305	7464	10309	8585	13698	12275	12847	12862	8343	10195	8499	8822	7884	9264	11345	13351	11417	12129	12060	12497	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22356	1	9739	20471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26877	1	1	1	8514	1	1	1	9404	15702	9376	1	12647	11667	1	29869	17666	13577	1	1	1	1	1	1	1	1	11884	8518	8248	7186	10554	1	1	9356	9677	10303	1	7546	8393	13524	8839	8704	10428	7418	11009	9648	8467	8923	8357	8230	8412	8862	9987	8594	1	8756	8314	9402	11289	8312	10378	7178	8936	9949	8825	9799	10645	10406	9573	11117	9954	11588	10226	9535
C16 H11 N2 O	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27540	25914	19603	21763	24929	22679	20737	22138	62711	56151	200409	202577	30257	32332	389293	400623	21897	26440	361843	358578	27882	26756	175025	176200	273935	266646	95244	100053	31542	36276	47883	54238	37441	35556	514954	528427	104791	106969	241110	232845	623273	607640	165049	166865
641.7215@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9215	10495	9415	8045	9387	1	8169	10634	7666	8313	11614	10906	10042	8806	11133	11405	13318	8732	12047	11141	11143	13385	12737	9083	7417	12350	13431	14264	7860	7768	10768	11216	12065	10262	9964	8842	11860	9597	7710	10206	8695	9977	6644	7784	8370	13622	11472	13530	8933	9220	1	1	1	1	1	1	1	7089	9076	8439	1	1	1	6879	1	6439	5694	1	1	1	10752	11555	9398	13627	1	1	8779	8794	11572	12047	7152	1	6840	9588	1	1	9272	10517	1	1	9429	8374	11438	10803	1	1
517.76@0.8630001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6363	6891	7765	1	1	1	6631	1	6342	1	8566	7376	7747	1	9664	8961	7131	1	9284	9962	8625	11000	1	11085	9087	6085	10210	9619	6851	8618	6847	6932	8710	8786	1	7433	9363	9111	7055	7154	7025	6242	1	1	7840	9089	7795	9055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7001	7146	1	1	6234	1	8477	9669	1	1	1	6764	1	1	7121	6257	1	1	1	1	6198	1	1	1
1427.6969@0.83899975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11451	11035	13241	12674	13354	9676	10245	15172	11380	13023	10508	12802	12735	14105	12332	11432	12024	11905	12893	13020	14864	13448	11588	11383	12521	12370	12136	11503	13979	10200	12003	8421	11393	10254	10754	11019	10301	13413	11707	11295	9828	9426	9174	9136	10891	12429	12420	10150	11872	10530	8770	7504	9952	8454	10277	9056	11418	8845	9302	10216	10762	10117	15264	13787	9822	13999	12811	9942	10493	10648	9393	11026	8976	10833	11605	9525	9475	10533	8310	8717	10389	11034	9400	10482	10889	11246	10865	11167	9671	10967	10666	11732	9749	10347	9996	11133
224.1083@4.4703164	43071	37962	23136	23148	19639	1	10101	14017	27615	26819	21486	15968	30971	32627	33567	53349	23566	17238	18424	22141	22994	20367	32814	10281	1	1	8650	6959	1	6205	43751	1	13011	13606	1	1	15480	14781	15406	12880	19940	17089	1	1	1	1	14050	11340	1	1	1	1	19018	20898	1	1	1	12069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43199	1	1	1	1	59719	1	1	1	1	1	1	1	1	10726	1	1	30831	30834	30736	24869	25131	21718	1	1	1	1	1	1	1	1	1	1	1	1	19516	22353	1	1	15439	20382	12766	1	1	1	17147	1	1	30844	1	1	1	1	1	1	1	1	13489	8397	1	1	47618	10753	1	1	1	1	1	1	6610	20024	11948	28293	13786	12335	17394	6732	1	1	12431	17460	13413	10108	1	1	12649	22496	1	1	1	1	1	1	34298	19056
1143.7579@0.8399994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12006	9666	12023	8607	7429	11872	10803	13857	11259	9665	9771	9251	12529	12821	12030	9453	11003	11774	9526	9009	10937	11452	11720	11741	11762	12655	9358	10190	10896	9273	13511	13474	9415	11215	10792	10968	13534	12231	10212	10287	7832	9039	9532	12510	10409	9156	11179	10113	13457	9350	11906	10914	9980	10562	12600	8850	13175	12790	9545	11220	10698	11204	14580	11817	12960	9882	10345	12898	11065	9927	12534	11268	6487	7070	11697	11319	9619	10107	9704	10524	11687	11400	10058	10563	8592	11661	10252	10021	9154	9134	11602	11264	9058	9847	10196	11953
956.9791@4.113428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43830	33864	1	42010	1	28723	1	1	1	1	192442	1	1	1	1	1	23180	1	1	18394	1	1	1	24680	32031	34863	1	61990	1	1	52528	1	22529	40965	75782	298793	32154	43400	16595	34602	1	14524	25632	1	31775	53012	60406	176948	1	1	1	1	1	1	1	1	1	43838	1	1	24266	14736	14302	60267	1	26040	1	1	1	95815	185850	35753	11878	1	107392	1	1	39304	22593	1	10231	1	1	199824	1	183363	81128	200565	1	13001	100818	268740	1	232851	1	305117
406.2391@11.307003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24200	15492	1	1	8310	10621	1	1	1	1	1	1	8918	8630	10743	13926	1	1	1	1	9332	20814	1	1	16925	23378	1	1	11040	8015	1	1	27586	7470	1	1	38037	15079
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C4 H Cl3 O4 S4	24538	27795	33072	32479	28742	26956	32313	28547	26659	25985	24933	25047	30577	29143	29738	25926	25377	27046	30592	26307	23947	26885	31066	28667	27273	28496	33757	30302	32891	30286	14303	13435	12890	15389	11268	11747	14415	13202	15386	16975	15434	16891	12175	8958	13654	18901	16422	17824	11591	14854	5744	6847	18046	17049	10856	10327	15915	11991	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12412	9055	14789	9952	8555	9233	10928	10308	10619	8418	12715	11180	12344	13054	11193	13387	10893	11652	10246	10642	13810	12822	12522	10920	15129	13250	13287	13938	9164	13332	8937	11180	11682	10322	7602	7531	11847	11529	8709	12440	11040	10343	6990	10740	10457	9112	12730	13980	11679	11309	9025	7604	8530	9005	6652	7538	9473	1	10554	11016	7333	8169	13070	12177	9983	9927	8143	7836	8228	7764	11690	9053	15052	14288	7996	9293	11687	11568	10343	11802	10931	10574	12558	11927	9083	11065	10153	10282	7255	7993	11572	9555	10426	9412	10183	10367
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345.9852@0.8392351	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6208	1	1	1	1	1	1	1	1	7495	6556	1	1	7176	6057	7571	8475	6217	7724	7321	7378	6703	7937	6213	1	1	7106	6804	1	9259	8061	7973	8695	8287	7770	9024	6603	8587	10410	9311	10602	8240	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6160	7739	6466	8959	6352	6431	8605	8222	8117	7244	8107	7048	1	9000	7306	5855	6514	6693	7874	7255	6429	6878	7962	6734	8747	6718	6951	8490	9152	8683	7299	9892	6543	8378	6899	6407	6705	8937	7412	7539	5769	6369	6548	6598	1	7693	8965	6977	7566	5834	9316	8925	6929	7564	7821	8192	9068	9239	8939	8658	8254	8836	10848	12532	8323	9362	10480	10853	10471	9444	11193	10357	9644	10881	9093	9644	9316	12368	10243	11538	10332	9495	10722	9444	9241	10077	10055	11052	11431	12053	10874	13065	12002	11024	10704	12108
C18 H5 N7 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8537	8566	1	1	1	1	1	1	1	1	1	1	8019	1	1	1	1	1	10897	9198	1	1	8571	8255	1	1	1	6891	1	1	1	1	1	1	1	1	1	1	10664	10657	1	1	1	1	1	1	1	1	1	1	1	1	10183	8674	1	1	1	1	1	1	1	6878	1	1	7648	7798	14550	14532	1	1	9428	8040	10009	9019	1	1	9046	8533	1	1	7761	8355	1	1	7195	6845	8035	8572	9102	8046
445.8969@0.8519998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	103409	102703	110176	107733	106110	106081	112661	113948	95666	95304	107181	110766	115266	116776	114732	111496	111800	112614	111076	111178	110029	104951	113111	114101	104598	112749	112988	119842	109452	109160	113234	112228	109567	109417	105461	102131	117955	118283	104022	105384	96024	93841	95877	102503	117537	119867	112327	112744	96637	104672	57463	58030	60478	59939	57748	55430	77664	76374	61318	59654	58941	61740	81519	80677	57945	56514	59373	63774	60105	61909	71399	64876	74458	69981	58186	59177	64474	63850	75432	70401	62239	62584	69713	66103	60386	63986	75282	72555	82303	87333	69193	67873	69788	66516	71323	69436
Ethionine nullnullnull 3.6499982 :2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10335	12016	1	1	1	1	1	1	11762	11599	1	1	1	1	1	1	1	1	12893	14247	11958	10665	20867	20026	1	1	1	1	1	1	10056	1	1	1	32717	31356	1	1	1	1	1	13740	1	1	1343584	1359553	748924	758069	211277	200306	92790	83593	35367	31754	4438486	4379827	1357618	1395920	1571857	1574760	836450	823735	3561285	3542671	1303109	1302424	18652	23775	4111788	4100522	1681334	1664082	23209	21157	1592340	1579448	53731	54426	1141713	1119396	1733887	1746921	310035	300059	1824665	1840551	1835533	1781085	133027	138830
1689.6371@0.8399996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8373	6097	9028	1	6130	9647	8293	1	7620	10020	6452	8464	6432	6666	10318	9631	7414	1	6337	9495	8320	7158	6591	7471	6377	7926	1	7787	9101	8287	9750	7598	5668	10746	5708	9303	9269	7216	8785	7848	7595	1	7469	7386	9235	6553	8664	6763	8167	7621	8799	6543	6209	8033	8753	10335	7367	7160	9740	6497	8451	8310	10096	10570	7410	7642	6988	6814	1	9809	10537	8994	8332	8808	6295	8805	9268	8992	8328	9100	9433	6789	8636	1	8931	9174	9824	6413	10026	8479	9699	8257	9112	8629	9864
1543.6327@0.8429995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9416	10159	6852	9327	8476	6334	9033	8599	8986	9352	8018	12152	6830	11812	8212	7817	8494	8489	10753	1	9616	10393	10586	9225	9654	1	9709	9048	8785	10805	6564	9903	7622	9002	7538	8474	7114	10843	6444	7712	5753	10450	9358	8798	10975	6002	10490	8371	9088	5894	1	1	1	1	1	1	1	7236	6647	7846	1	6209	9656	5763	6628	5473	6306	1	7791	1	1	1	1	1	5293	1	1	1	5866	1	6776	1	1	1	7599	5570	6122	1	6822	7722	1	1	1	1	1	1
725.7862@0.85200006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10488	9784	8501	10347	9207	12130	8592	11298	12251	7977	11357	9670	8890	11482	11014	12552	11253	17169	15298	12783	11350	1	15416	10428	14060	14883	13938	10541	9740	11131	9859	7222	13998	10143	7701	10944	8523	14350	12377	9205	1	11509	12185	6115	14996	14728	14199	15762	8563	1	6057	1	5578	7363	1	6337	6888	7330	9722	10030	6031	7804	5626	1	7177	6558	1	6960	5327	6767	10716	9539	11442	13081	7535	8771	12426	8316	11517	10513	7923	5683	9636	1	5704	7947	8785	7840	7882	11246	10283	6670	11658	10703	9503	10291
740.3577@0.83800024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6318	7249	7053	5566	7243	6006	8166	7304	8399	8244	10084	6282	7684	8109	7863	6289	7559	9266	8020	8957	7634	8928	9251	7688	7213	9975	6398	8817	10241	7912	9235	7730	9266	5891	9097	8284	8889	7682	8217	9379	6078	5525	9939	7299	1	1	7895	1	8292	6743	7295	7849	6826	9044	1	7557	10357	8718	1	6550	6282	7421	8439	9350	7708	7482	7587	6671	10005	7247	6644	6225	1	1	7788	7795	5854	6283	6336	1	8307	8629	1	5660	7929	8004	5693	1	9578	9015	6415	7155	1	1	5821	8082
810.3443@0.83800036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5732	5911	5900	6086	5887	1	1	1	6213	1	1	1	1	1	5616	5725	1	6234	6051	1	5974	1	6547	1	6840	1	1	1	1	1	1	1	1	7107	5802	6447	1	1	6218	1	1	1	6896	6042	6515	5817	1	1	7568	8318	6420	5955	6035	6258	1	1	7238	8740	6207	6817	6833	6905	6732	7320	6935	7087	6467	7359	10214	10430	9166	9926	7900	7824	9730	9600	10269	9227	6514	7132	9803	9692	7111	5939	7930	8919	1	5572	9082	8311	9468	9879	10292	9078
1339.1987@0.85900027	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8923	9510	9464	10531	1	7174	7456	10897	11737	8431	8568	1	9812	8344	8877	10481	1	7969	10085	10082	9457	9758	10606	9563	8699	12425	10918	8472	1	6960	9300	9404	7200	8790	10876	13673	8575	7532	10607	8963	1	1	8751	9227	6644	8181	10409	8921	7530	10719	6435	1	1	1	1	1	6781	8393	6176	1	6576	1	6614	8226	1	6077	1	1	1	7917	1	1	1	1	1	6586	1	1	1	1	7402	1	1	1	7059	1	6109	1	6634	8111	1	1	1	1	1	1
270.2196@11.927468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	161329	119578	144179	20646	42353	20650	20427	129120	26991	166177	135940	174497	172516	16798	68081	145113	159864	165466	163828	18454	1	111710	125249	119452	138978	60912	164869	113059	187419	102420	166006	114638	166285	152285	158050	109520	169637	126485	160886	202835	40164	166165	170677	165361	173408	33567	189047	182803	117145	112189	26710	192785	24903	37186	35811	23191	1	205661	199274	164001	39396	173433	131604	192946	171915	101191	1	143121	121878	24303	22406	31156	64772	204660	1	38976	142820	24350	1	29406	193095	174154	24375	88430	104371	20636	221493	46968	182564	231566	1	23105	32704	215154	55892	28269
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216.1721@8.496395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6647	1	1	36033	1	37922	1	1	1	1	1	1	1	1	5861	1	1	1	1	1	1	1	1	1	1	1	1	7242	11573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16301	65153	1	1	1	1	1	1	57386	1	1	1	1	1	1	1	1	1	1	1	10898	57980	7792	1	50465	1	1	1	31401	8146	1	9154	6712	29041	5680	1	1	13244	44266	50862	39969	1	14843	1	7170	11549	8425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42173	1	1	1	1	1	51169	6011	1	1	1	1	12176	1	30201	1	1	6548	1	6390	1	1	6468	1	5578	9165	6389	13896	7642	1	7228	1
659.784@0.8510008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8868	11747	7187	11162	8401	6532	11530	9211	12628	12403	1	11051	10600	12000	10834	10868	11897	12725	14729	10718	12507	1	14266	11694	13666	9971	12966	10682	11043	12297	12395	13506	13098	10381	12736	11488	12929	8514	12051	12588	8557	1	14293	12468	8588	1	6354	12511	12884	12986	1	6137	1	6106	7018	5827	8333	7570	1	7482	7121	1	1	9508	6049	1	5531	1	6958	5319	1	5858	1	1	7064	1	1	1	6267	8056	1	5504	1	1	1	7405	6543	5336	5633	8786	5698	1	1	1	1	1
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519.8574@0.85100025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26386	52703	23756	25835	27315	35158	36736	30849	22574	27419	32752	30763	39179	29521	26547	30567	30172	25668	26247	37029	28220	25508	45656	41210	28458	27272	32452	39530	40476	43498	33894	31323	25506	35955	27135	28217	37934	33788	26726	39391	36805	26835	21009	27510	41369	34047	28781	38208	21538	24969	14114	16599	18546	38208	19143	22381	20941	24823	18736	27084	20895	15732	22008	19940	17601	26115	18530	18885	23357	14686	27240	31686	51806	39327	18712	20704	32177	24436	34210	29075	16502	17390	22718	26037	17908	14132	23446	32380	20721	15672	22142	51715	35657	37319	32275	30316
237.9234@0.8810001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7095	9422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5996	7591	1	1	1	1	9022	1	1	1	10001	1	1	1	1	5969	1	1	1	1	1	1	1	1	1	6402	7536	7730	7454	7739	1	1	7113	7275	5693	1	9271	8552	1	1	6204	10423	1	9860	15473	15370	9127	9097	1	1	15303	16102	1	6744	1	14673	8443	7349	12688	1	1	1	1	1	9634	17079	1	10327
723.5065@0.86799955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13062	8890	12907	11511	1	9315	9804	12773	7498	12087	11625	14624	14227	12945	11512	11965	12027	9546	14100	12127	13752	13363	13594	11867	12789	12576	13310	15333	13343	12808	10362	12110	11081	12336	9559	9180	15856	13157	12044	11664	7784	1	8843	10697	10520	11406	12969	12899	10778	9553	1	1	7077	1	1	1	8573	7885	6072	7335	7354	1	11750	8815	1	7872	1	7177	7885	1	8844	7241	8481	7247	6621	7764	8742	9039	8717	9053	1	6506	7586	8360	6894	1	6470	1	11772	7251	7745	8230	7966	7956	8334	6568
1149.2675@0.8419995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7362	1	6764	1	1	6523	8015	1	6910	1	1	7989	1	1	1	1	7834	1	1	8502	7303	1	1	1	6795	6377	7417	6731	6926	1	6894	1	1	1	1	7132	1	7293	1	1	1	1	1	1	1	6128	1	1	1	6571	5517	1	1	6174	5975	1	1	6957	1	7396	1	1	6224	7007	6221	6554	5752	6957	1	1	6592	7101	6172	1	6797	1	7368	7498	6440	7774	1	5793	1	6721	1	6206	5588	7028	1	1	8290	9094	8107	8569	6370	7659
841.7945@0.84799963	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9313	7014	10754	1	6829	1	1	1	1	1	1	1	1	8631	8650	1	1	8834	1	1	1	1	1	12209	8408	1	1	8503	1	1	1	10673	7904	1	8846	1	1	9334	12260	8352	1	1	11387	6498	1	6254	1	1	1	5537	1	1	1	7791	1	1	11722	12698	11950	1	1	1	1	1	1	1	9418	5959	1	14855	12221	21232	22945	1	6775	19095	14727	18519	16052	1	1	17158	16868	5730	1	15473	13615	1	12470	13761	11068	21802	23466	10997	12403
<none> nullnullnull 0.8550003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8495	10266	10519	6919	10993	10804	11925	11079	1	6787	11875	11331	10685	8975	10445	11430	11662	8045	13212	13835	10959	14174	11778	11871	12303	12861	12817	15046	9814	11143	9577	8295	10345	9656	7775	9435	12203	9048	8695	11754	12606	13271	6424	1	18070	16376	11601	13402	8163	7741	6424	7408	1	1	7173	7200	1	1	15212	14306	8882	10364	8581	10377	8057	8277	7908	9766	8204	9111	13298	12194	20020	21425	8325	8124	12572	13014	17310	16769	7938	6966	15057	16335	7510	8094	10554	11843	11919	9056	10250	12368	12440	10118	14264	12332
445.0443@10.177999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7201	1	1	1	7629	1	1	1	1	1	1	1	1	1	1	1	1	1	8023	1	7437	9269	7373	8021	6993	7221	1	1	1	1	8706	7401	7792	1	7304	1	7567	1	7570	7257	8034	7396	7739	1
> limit nullnullnull 0.78824264	82943	170663	179497	153204	213164	75049	229506	155019	33378	147699	186171	119061	207212	181373	74938	22042	31888	175057	147768	16062	165945	21742	26147	25262	32588	22051	27518	26217	52775	31853	12507	41849	19582	58814	38887	27995	41254	31320	17005	32462	45902	38128	26605	213752	6546	189012	36446	28291	31576	21546	90388	12365	14544	15088	20608	28125	32120	6206	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25427	27816	28358	24078	32504	14301	22007	12715	125173	18284	161717	29947	19388	13922	22162	21956	31805	33629	128849	169379	17918	151612	140653	37180	109988	127201	118886	128924	129792	132632	133649	112639	111707	107568	107316	112805	131709	15275	107000	113991	111322	117704	111011	110374	100267	101772	120979	124611	111959	109497	23471	21904	115150	27760	21652	24106	30123	92637	19747	16331	92089	27594	23037	6390	31503	27896	27814	1	20907	120019	82159	90374	21420	11626	22943	23369	96240	26169	22447	24093	16164	11600	20747	28864	23410	14490	104536	33677	25281	7578	37979	122265	22801	21820	25861	24999
C24 H27 N2 O3 nullnullnull 7.790996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8296	32670	27678	98036	98155	30573	29325	1	9360	59550	62997	127545	125679	31675	31568	62043	56550	21730	22344	730901	716092	12399	17869	39766	35592	494918	518791	34052	34658	21117	20705	17531	21059	24972	23346	1005143	1008858	32890	36276	347190	344446	968990	967249	268470	271746
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1479.3549@0.8770001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11336	11842	13549	10613	9017	1	13761	12954	8301	8536	12376	13426	13731	11859	1	11693	13890	11444	1	16634	1	12867	14038	16717	10303	14082	14557	12078	1	1	1	12343	9841	10949	1	1	1	14390	11843	11844	8246	7456	9203	8230	11614	10558	13929	1	8269	9762	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8097	1	9134	1	1	1	1	7499	8047	1	1	1	1	1	1	7479	1	1	1	1	1	1	1	1	1
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298.2507@12.356997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60158	213952	108258	67182	1	1	1	158670	1	53774	1	102789	230035	1	1	60789	50293	1	96312	1	1	51141	109513	1	1	1	1	1	1	170227	162870	274047	1	177440	91625	1	49978	1	1	1	1	106160	244656	12284	1	61745	1	1	1	205036	1	74143	1	1	240282	1	22695	42523	1	109916	1	1	226280	1	1	185057	223888	221452	89592	1	171296	135470	85005	239038	241289	56217	1	237167	248945	162642	155077	103486	68145	61287	126989	117323	230296	195416	57846	1	226901	1	1	127197	155705
209.0048@0.85199976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14253	1	1	1	1	1	1	6323	1	9779	1	1	1	9925	13861	13340	12946	13356	1	11404	11275	16078	14712	1	1	14299	14369	17471	17560	11069	9243	14663	10274	18740	18267	1	7230	18254	12882	1	6959	15769	7789	1	1	12522	15032	21107	8598	16873	14399
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1357.7194@0.8409999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8399	7646	1	7234	9633	6106	7279	1	6239	7966	1	7471	8715	1	8374	8389	6583	8056	10568	7935	1	10870	6505	7727	9117	9170	9087	8230	7270	8998	7630	8054	7080	7077	8209	8388	8321	7561	9314	8167	7275	6423	9066	1	7692	8213	8269	1	6385	8487	1	1	6737	6984	6098	1	6313	7032	8000	8755	1	5973	7660	7660	7234	7124	5931	5684	7556	1	7376	1	9414	6611	6079	6816	6834	6967	7773	7977	5995	6274	7070	6172	6229	8377	6424	7613	6361	6979	6507	8814	7767	6164	7522	7574
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200.1412@8.639901	1	1	19959	197195	52530	1	51010	109642	1	1	115260	123970	41206	66613	71458	1	1	102533	158810	1	55701	112640	1	40261	66742	221302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	75719	1	1	66112	1	96042	35613	200151	1	1	1	1	1	1	1	1	1	1	1	1	1	13037	1	22883	1	65306	1	1	135981	1	1	221260	141061	17779	1	169170	115099	1	1	1	1	50662	1	1	39601	121411	25435	1	227331	53355	166054	1	1	1	36593	70206	23615	1	190695	1	38288	93858	65163	767822	40824	106435	87277	60840	92014	309383	38477	177468	1	30654	158660	98017	69022	64363	201202	208044	89579	1	166286	282201	141305	20452	58071	229168	211891	113850	126613	23451	156455	30153	162105	76510	312162	128229	19319	201788	87815	114304	120034	34368	139083	93169	110060	132400	1	35492	51439	28160	27981	124953	148170	104441	117580	36746	237229	220830	1	108104	254532	118106	97180	283352	128163	150098	103105	267952	44501	202379	190384	148778	147704	312667	215012	212139	79829	56101	1	30826	109065	110556	58881	135726	113074	27434	177907	351815	234845	277195	46459	137407	179946	32331	44921	251242	117577	42096	97429
Cascarillin nullnullnull 6.682999 :3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7995	1	1	1	1	8219	9902	8599	7738	14374	9767	8817	14654	17928	11652	11055	14484	12425	9268	9884	36601	35173	16669	34664	12693	9546	38252	37793	12080	16460	1	1	9144	9988	7379	7709	38924	42697	1	8562	37185	37556	55936	58527	9916	12753
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224.1405@7.7116156	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21010	19214	1	1	1	1	37988	29893	47747	1	1	1	1	1	1	1	1	1	1	1	22577	15666	1	1	1	1	1	9778	27611	1	18401	1	16896	22134	1	1	21644	15999	1	1	1	16104	31563	30605	34393	23036	100815	95056	26959	1	21981	21564	19835	1	22165	38572	27476	25609	33377	1	29911	42432	35541	42340	40936	26702	1	1	1	1	1	1	35758	29440	1	1	1	1	44392	20829	1	20790	135139	102905	1	31343	49800	77533	1	1	1	1	1	20032	20473	42525	62816	81474	49562	58620	40640	25289	45525	84360	123345	122887	1	38565	1	1	1	1	21910	1	30875	30105	49476	42268	1	1	1	1	55321	44783	26312	1	33777	1	46646	1	27950	21442	1	1	1	26103	1	1
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C19 H22 N16 O3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27496	29655	23030	22040	13914	1	48380	26023	188219	180501	9420	11688	140503	138408	1	1	366325	358221	10191	14798	51571	59172	183711	189856	70337	69589	1	1	33741	34168	9736	10163	461795	608507	72935	71348	139400	140171	471877	449129	181322	183956
1489.6925@0.8380003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7582	1	1	6864	1	6559	6869	1	1	5702	1	7397	1	6076	5469	1	1	1	1	6358	1	1	7706	6191	1	1	1	1	1	1	1	1	1	5646	1	7251	6418	1	1	5907	1	1	1	6851	7109	1	1	1	7151	6099	6403	5865	1	6030	1	9481	1	6449	6957	8886	6891	1	6652	6923	6219	8150	7815	7225	7852	8723	7813	8916	8701	7422	7583	7346	6790	6053	8081	7366	8574	7628	6551	7980	8166	7291	6022	6547	8697	7578	7602	9060	6928	8029
630.9802@0.83800006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6031	1	1	1	6580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6327	6530	1	1	1	6100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6525	6572	1	1	1	1	1	1	6161	1	1	1	1	1	7247	7926	1	1	6291	6406	1	1	1	1	1	6509	1	1	7277	1	1	1	1	1	1	6080	6363	6388
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220.0162@0.8393239	7746	37463	22868	1	14024	19065	22210	1	15902	17906	16007	17474	18188	20396	16213	17497	1	21152	1	16536	10700	18167	15705	19243	15584	1	1	17561	26691	1	14872	16750	18942	16294	11783	11887	14703	12291	11330	12212	15619	14893	12906	12487	16973	16028	16012	17392	14765	14521	14231	12923	12506	16154	13905	14249	16412	17843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8066	1	1	7041	1	11165	8137	10956	8338	1	1	1	1	1	1	1	1	1	1	7559	6434	8564	7781	1	1	1	1	1	1	1	1	1	1	1	1	5745	6523	1	1	7679	6621	1	1	13332	12497
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C5 H9 N7 O2 nullnullnull 2.0130002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40809	37944	1	1	1	1	19538	1	1	1	1	1	1	1	1	1	1	1	30894	27557	1	1	30892	31825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19484	21659	44518	41693	55838	52660	35818	45323	46949	47248	175320	184283	62032	53011	69633	76425	47902	43439	107820	90390	30823	31688	148531	134750	280043	268900	55905	68755	162385	147639	286284	503834	44048	39614	188778	184894	62751	57900	222840	120845	84368	87141	143983	124433	162325	176844	184324	185598
224.0358@8.897579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12180	9662	12616	10365	1	12676	11464	13698	13358	12620	1	1	12675	14344	8483	12158	1	11276	11534	11244	11190	1	1	11857	11231	13212	1	1	13447	14835	11033	10681	1	14696	8954	10633	10031	14960	1	1	1	1	1	1	11692	10188	1	1	1	1	9826	11211	1	1	1	1	9553	13078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10104	1	7000	11203	11935	1	1	1	1	1	1	1	1	1	1	230641	1	8861	14230	1	11356	12656	8736	1	1	14053	9319	16192	15807	15201	10684	8881	14459	12760	18087	12538	14166	11506	17984	21225	17115	13578	14670	12629	14691	14144	11449	17117	16545	10739	14519	13711	15390	15243	24108	15364	13657	14519	14667	10708	15625	16617	17946	15876	15975	14619	14927	1	1	1	10762	1	1	1	1	11455	1	1	11796	1	1	1	1	1	1	1	1	1	1	1	12473	1	1	1	1	1	1	12345	10805	16294	14470	10756	10160	14578	16187	11869	10032	14597	13768	11069	13089	14005	10561
665.3863@12.187995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28199	43656	39223	15130	43103	15201	43568	1	1	38892	44148	44953	32899	58836	58268	24865	36164	67497	42767	42688	34506	1	1	39516	27579	33727	41439	50182	69055	1	1	37239	26648	1	1	1	45908	1	1	45718	40872	1	1	27309	29201	52192	33024	33365	1	1	19760	19231	1	17623	15500	13363	1	1	1	70983	58240	1	1	1	1	17018	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17592	1	1	1	66286	1	1	1	39757	1	31810	54074	1	1
314.2452@11.830054	38995	21663	1	1	1	1	1	1	1	1	1	1	68086	1	30375	1	117014	32539	46695	1	1	1	1	1	1	1	1	1	1	1	32658	11994	14259	32133	1	1	1	28109	1	7395	1	14741	21774	31882	33499	26605	1	1	29522	29238	1	1	8584	1	20003	20975	16514	13982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33294	37465	59982	1	36321	36246	39166	36786	33587	46349	66823	30187	90490	21375	30742	29100	18318	38613	29945	50234	58237	80917	43305	41856	40639	40022	27894	27641	54607	32844	29538	58003	73864	72181	38141	36564	26918	30649	39118	34554	37784	10963	28203	27491	22157	22685	40052	36954	35091	50708	1	1	1	45912	18078	13434	24420	25063	33010	1	21181	73353	1	1	68282	1	1	1	1	1	1	1	29786	22880	46400	1	1	1	1	1	67416	48522	1	1	124687	41246	29371	1	43097	20964	1	1	1	1	1	41006
Proscillaridin A nullnullnull 7.622004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14673	17082	1	1	25265	23612	1	1	30737	33697	21646	17766	1	1	73913	74770	19725	17621	17671	16444	35576	32114	39633	40346	11184	13763	34345	37740	55478	59526	79282	78502	21205	24393	261024	262260	104730	102120	101008	99452	52634	53827	138315	146147	40803	39857	1	1	210177	199685	19604	17701	14399	8910	66487	67796	272689	266113	59571	57316	1	1	21593	31136	9184	1	1	8463	19098	19309	9066	11298	73447	71711	1	1	13390	13699	10846	11995	16176	14347	21112	21740	8634	10753	12167	12952	84444	82655	1	1	12056	10743	18778	15433
270.2191@12.260487	1	1	1	32901	149970	134828	1	1	1	1	1	1	1	1	132578	68286	15690	127232	197324	1	153850	1	135748	1	17144	1	1	1	1	1	153246	1	1	1	1	1	1	1	1	1	1	161414	1	1	1	1	1	1	1	1	1	1	1	1	14289	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36527	1	1	1	1	1	1	1	1	1	26614	1	32980	1	1	1	1	1	1	1	1	1	1	1	1	1	9522	1	1	1	1	1	1	1	1	1	1	1	1	10200	1	1	1	1	1	40067	31704	1	11471	207359	38850	17180	1	33056	13459	1	1	23364	191574	35280	225838	1	208927	18147	1	135126	121878	1	16657	13388	206906	16185	1	12899	1	15592	43996	22166	47000	46683	19817	49104	1	1	16796	232546	20239	1	19698	227463	53666	1	252951	25375	57863
515.9839@0.84099984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11440	11309	1	1	1	1	1	1	1	1	1	1	1	1	9429	10338	1	1	1	1	1	1	1	7098	1	1	8467	8322	16391	15564	1	1	7297	7434	10798	1	1	1	9306	1	1	1	7554	1	1	1	7427	7121	10131	9385	1	1
505.2846@12.906005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7982	6076	23797	44269	32322	40906	33315	32764	35720	27671	14293	16670	30838	8472	30599	8077	8966	7188	34951	7066	33143	9165	32860	26309	41534	7521	39640	27060	30223	35135	32073	8519	7634	34248	7544	33628	19910	34940	40013	8149	25702	37055	9087	28350	36392	30525
270.2193@12.041832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	171888	181022	1	173545	36406	11276	1	204563	156326	1	25119	55324	70958	21746	165830	74974	1	150632	176733	11620	1	1	1	1	74336	1	1	81094	206778	196951	1	186086	1	1	1	163626	1	175058	1	1	14992	1	154948	183118	193983	11586	32512	160067	1	60018	1	44991	39596	40652	15361	25630	1	1	19926	36705	40398	13747	193705	187194	15165	1	1	142933	42914	187636	43252	140407	1	1	140452	1	135582	154440	11557	42002	42204	1	41435	72866	101554	26389	205412	44088	1	29028	1	36273	1	115000	28190	142380
214.0815@5.584997	88559	34329	43952	37827	1	1	46058	1	47723	46512	47345	56864	34349	39469	1	1	1	65376	1	43728	35393	25305	82665	47580	1	48257	55850	95329	45082	85876	47982	138435	93014	90519	44508	92479	71661	83385	137594	62660	100517	95775	78345	83390	71725	86254	163563	89294	1	1	1	89763	27594	1	57909	63031	73408	65046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44150	78565	39108	80341	69519	46007	40053	41716	66881	72687	75154	28059	74410	46060	59311	42538	49947	48305	1	41457	124754	67193	50641	1	72325	1	72881	70041	46434	109584	38159	73081	45039	68895	73729	79243	78616	62951	50108	68721	1	43819	46780	70226	23756	53191	44852	133001	26173	45020	141747	61933	153290	1	15808	28176	56679	70439	78401	44532	1	1	17885	32321	132499	1	29866	1	54629	49887	80425	57726	38584	93913	92265	58057	100129	58982	33479	68442	124552	67507	70516	64518	118991	58208	77342	76729	64688	66140	165232	77074	26225	13369	111908	73656
135.054@2.9830012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7171	68192	39878	54948	62398	54996	71142	71007	9497	43993	7836	52299	8516	31236	50542	57193	116287	7807	8343	6615	54716	13485	9641	80862	75497	7863	43241	51516	55551	9462	7843	6253	66491	11725	8662	40229	23016	6911	51433	57438	35865	40426	74874	50390	10080	104811	8697	58883	57708	7570	1	1	1	1	1	15323	1	1	39016	57411	15829	1	48310	18490	9956	10001	10818	11876	10256	1	6989	10240	7480	8701	11167	10362	11679	12839	11426	12495	11420	1	10958	9788	10078	1	9512	11837	9619	12253	12025	1	71971	9311	13363	15318
452.8577@0.8779993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8113	8238	7666	10545	9223	1	9777	8745	1	9057	1	7766	8712	1	8371	8017	8926	9226	1	1	1	7579	9405	8044	1	9616	11557	7639	8267	10152	9469	7770	9091	9117	10270	9625	8493	8892	8435	1	1	8109	9192	8597	1	1	1	8757	1	7160	1	1	1	1	6638	7247	10294	1	7442	8113	7927	6877	8735	7809	8522	1	6801	8864	9117	7682	10222	1	1	8053	9874	7749	7614	9596	9903	8334	7716	1	1	8125	7638	8407	7819	1	7284	8128	8354	8620	8069	9164	7708
272.235@12.146746	78551	97879	39456	147461	31703	70394	50030	30590	60635	145830	52423	68061	107153	47283	125271	171064	142599	87296	220132	106192	65413	108939	151386	188614	75385	74992	162953	183568	27697	67374	162692	176507	66846	175135	78411	201672	124326	150985	52615	93935	33736	71582	163721	76878	179760	63019	81623	178292	197508	71098	169037	191992	52869	206115	80736	181691	62205	80114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34235	140271	91618	77794	49817	51824	48473	94117	47213	162355	118445	144029	151671	62642	56790	96325	163562	55130	103176	104684	59859	54271	95141	102260	56906	64627	59207	109918	95938	154909	63134	34743	100420	166854	170828	126811	64776	68063	51317	161296	121560	54394	52035	45821	71310	79512	86845	165250	32775	90750	67050	74292	58139	159084	71846	188599	34163	141623	75428	171438	99934	73816	194117	165768	60141	144473	53416	75863	158899	41751	107170	149286	155880	79351	161020	52319	180798	74909	179994	63464	131235	62279	144135	85905	79312	79046	108925	1	51186	161967	69096	197637	61816	66652	178824	70726
516.313@9.067001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21128	18461	12539	15279	17355	17695	1	1	47888	49895	14494	1	1	1	41202	45459	29586	26440	1	1	40641	42018	56596	52257	1	1	21299	20585	16018	19425	63571	64030	18850	19152	247590	243439	69859	72521	86473	90808	42499	44023	137344	135394	31821	32209	1	1	247815	250858	77192	76258	42876	41751	91983	88159	253730	258621	210257	218977	45479	45750	169608	169435	24187	25768	30614	26397	74307	67531	134477	131968	59161	58913	22745	23261	131321	132276	34226	36858	41903	45007	126949	128068	23802	21687	150418	131189	89642	95471	80314	75598	165946	163726	101114	101195
325.1141@9.817992	8590	10515	8737	8209	10062	8388	8490	8137	7446	8646	8066	8313	1	1	1	1	1	1	1	1	10601	10400	9302	11373	10514	10628	11903	9111	10611	10944	11933	9227	10804	10739	11642	14408	10513	10370	9864	12285	9301	10067	11142	10827	8129	8803	10132	10982	9909	10583	7526	1	14892	15314	13525	11228	12901	13956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8780	9242	9678	9461	1	1	8076	16809	12072	10674	11206	18349	1	1	8606	10099	8266	18417	1	1	9935	11110	10757	12047	10513	13680	1	10422	9880	11360	1	9036	9672	11131	8492	1	10396	10114	1	1	11292	12322	9781	1	1	1	1	1	1	1	1	1	1	1	10370	20025	1	1	1	14420	1	1	1	1	1	1	1	1	8684	10161	1	1	1	1	1	1	8384	1	1	8252	1	1	10823	1	1	1	1	1	1	1	12583	9802
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296.2351@11.867262	50958	88817	1	1	1	1	1	1	1	1	1	1	126825	1	119242	1	69370	117751	63109	1	1	1	1	1	139287	1	1	1	1	1	97682	86343	72231	76482	1	1	92014	1	1	1	1	1	107893	102671	19385	17701	100038	98378	18194	21668	1	1	71432	1	113370	9503	119483	141869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22478	15603	1	1	52034	28139	46773	63011	114965	31491	39411	120849	61639	1	48030	13651	72491	97940	105498	18906	53858	336208	57254	59682	145128	55632	29858	33890	27764	192948	17570	147481	1	1	39248	86303	1	1	17147	53786	73356	62492	77510	72641	60739	14352	45601	117004	97526	43381	1	1	1	1	86008	8887	121134	133357	1	103782	71459	130768	1	1	1	1	1	1	1	1	1	1	86174	110819	1	1	1	1	1	1	1	1	124033	1	1	1	35632	1	157203	103485	130948	1	1	109609	1	1
764.5838@13.653	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	90081	15803	34795	1	1	92624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44764	1	1	1	1	1	1	17530	1	1
298.2504@12.5929985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	154393	49179	1	1	150302	54667	52641	176469	1	48476	118944	126231	1	1	200479	56240	124000	1	23469	60432	1	1	56624	51145	63952	45166	108661	54960	45945	42943	30820	1	1	1	1	1	110215	52958	1	1	275848	247473	49029	1	129354	185451	168183	96506	1	1	1	37619	43639	1	1	47715	1	21546	1	1	22909	72174	38705	1	40736	42763	1	26769	1	34462	1	1	1	41828	1	1	1	1	1	1	1	1	1	1	38725	28080	62537	1	1	1	1	1	1	1	39023	1
691.6272@0.87	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10169	7264	6443	6182	1	7155	9101	1	1	5949	9497	8671	9922	11368	9522	6458	7758	1	10025	8261	8761	9127	9654	7220	9573	8425	9457	9241	8734	10345	7975	6218	7111	6222	1	7155	8504	9830	6186	1	1	1	1	1	6834	7703	6682	10030	6486	1	1	1	1	1	1	1	1	1	6403	1	1	1	7957	1	1	1	1	1	1	1	7396	1	1	6153	1	1	6430	6204	1	7025	1	1	1	1	1	1	6307	5757	1	1	1	1	5888	1	1	6088
200.141@8.538978	1	1	10927	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12803	1	1	1	37620	1	1	56072	50658	1	1	78867	52838	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57794	1	70404	1	1	1	1	1	1	143555	1	1	1	115340	1	1	1	1	1	1	1	89123	1	22675	1	1	1	1	1	1	1	127551	58217	1	1	181692	1	251388	1	1	552979	44155	46187	118854	32731	53776	129904	44773	242728	1	1	146823	13800	126161	1	133291	166697	45413	106884	272456	255933	248005	26920	76817	275584	47784	58233	180093	137111	220416	273113	1	24147	1	190458	107445	129830	1	1	253475	1	286039	1	203029	94364	1	116553	105053	117916	87096	175493	135122	106879	48817	77769	95652	26312	1	1	115946	44215	1	226030	122640	120280	178027	117765	109125	72576	344365	79709	250744	170876	188762	138079	97968	88741	1	1	116929	142787	283543	82983	198188	212287	257615	142021	133399	227108	115878	293834	32880	34578	298148	183198	128576	329374	98156
3,4-Diphenyltetrahydrofuran	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17386	17009	1	1	1	1	14684	16769	49161	52123	199610	150740	23004	22822	313567	311743	16910	14420	277997	246783	15029	12696	131621	131606	198660	192555	69900	75837	20632	20068	40754	41629	31052	28719	388410	410295	60995	54064	190953	202715	495009	488193	150153	157313
270.2195@11.616586	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72630	55386	72964	50572	1	1	12013	1	33107	1	1	1	71460	10023	1	66277	1	1	1	1	1	37444	1	1	1	1	1	1	1	1	1	42794	1	1	47897	1	1	1	1	39174	1	1	1	27857	1	1	24635	36304	1	1	25039	64703	10677	35285	14527	210307	1	30728	14724	1	42898	1	1	1	10937	1	1	1	118691	15651	12796	12082	1	22242	13241	55733	11758	32260	1	30060	195031	39970	39478	77097	48957	28773	28131	37312	205358	81873	46157	27765	207004	46232	1	66912
270.2191@11.899531	1	34868	113863	116791	1	186092	148199	1	1	1	1	1	1	1	56538	51403	49611	1	1	1	1	165241	1	36284	80215	1	1	130012	1	1	1	1	95605	14364	1	1	215606	99568	1	1	1	226322	211586	20802	1	1	78513	1	155398	74509	1	13102	172714	12141	1	1	1	36752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	187993	58957	144586	47406	31512	19849	67892	133867	166988	127106	131600	55927	22587	18818	195179	83171	180234	127658	171680	187521	1	135538	143719	140068	12660	60912	1	42996	7637	83637	183613	146965	184823	149582	160862	36891	131669	16868	176521	171767	173859	132675	191631	175225	161117	7353	197743	11915	168359	56600	79660	192418	17352	39502	23055	162366	1	202867	34653	39302	50072	274783	1	223920	35930	56320	92445	76628	122054	16482	19543	31159	58210	108861	44062	41292	38965	24715	15358	13816	194984	171253	89111	197352	48580	28274	248021	31323	182564	24148	165248	25547	206670	232646	207138	17504
340.2093@11.69637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25533	12835	17050	1	13423	14595	15155	13981	14958	18647	11790	15267	11989	1	1	1	1	1	13181	1	17480	9015	11571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10230	1	1	1	1	1	8263	1	1	1	12215	1	1	1	22387	1	10161	26827	36121	40397	49239	43235	28730	44906	40487	27947	27471	31447	50923	32351	23635	23912	19691	24202	25738	40124	37235	62790	29809	26316	47195	33291	22858	35086	35408	27500	43761	35837	46026	48692	32212	45436	21641	25160	30385	40774	43907	46723	15619	17052	27027	38905	33584	33690	34791	33058	52835	9183	29677	47625	49555	60678	39010	13030	12878	70109	18811	31267	41886	55904	54011	45958	59316	31495	43224	39904	35700	77759	47638	20730	46262	11774	21022	57281	38080	47017	64172	52807	34335	42866	57118	29148	23833	58253	36402	17113	43446	32210	27816	45125	24637	25276
181.0397@1.273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9552	1	1	1	1	1	1	1	1	12455	8841	8404	7444	12429	11411	10664	12418	9043	8629	10688	10814	1	1	13444	13634	17037	20051	15655	13353	1	1	9192	8602	8273	9550	1	8550	8691	10048	1	1	1	1	10166	9549	13522	13650	1	10038	1	1	1	1	16176	14962	8143	8043	1	1	21975	23917	24628	25316	1	1	26353	25086	1	1	55319	55901	12174	12537	17849	19787	68902	68478	1	1	1	1	1	1	1	1	97510	89307	14463	14846	50580	48751	91992	102827	18947	18150
256.094@4.718997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16188	12057	18468	7749	13846	34773	39272	44106	1	1	9910	14678	1	25077	23145	20521	27021	41986	36054	13934	44904	10001	26991	11236	15886	1	77606	25672	82476	13133	13605	1	21035	12743	1	1	46750	43974	12786	1	29769	43263	1	43478	16724	64783	38793	14427	16337	44147	1	1	1	1	1	38028	12327	1	24176	81268	89782	110487	60185	64760	1	1	1	1	1	1	42912	113580	25820	9766	58413	84922	82962	24229	23663	21623	1	1	25813	28760	1	1	77386	112318	39197	41236	12622	51337	33368	1	34504	32934
513.7835@0.85600024	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9937	13838	13536	13357	7255	8681	13541	12935	10723	12936	14948	14247	15153	12944	12851	15264	14680	9507	13050	14366	14642	13718	11232	13142	11788	16504	14375	14645	14826	13068	12706	11526	12251	9911	13753	13734	14814	14598	11740	11761	8142	7854	12263	12015	10374	10018	15030	12110	11354	11750	6732	1	5879	5804	1	5546	7822	7207	7461	7683	6573	6431	8263	7472	7745	7634	1	1	6517	6068	1	6353	7029	7544	1	5689	7098	5822	8341	7033	7471	5764	7372	6226	6347	6953	7796	5669	7094	9415	1	6210	6094	6282	6739	5848
estrone 3-sulfate nullnullnull 1.2160007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79250	77151	1	1	90083	94131	25756	25586	41805	41077	74561	79272	26559	25801	21099	18854	22175	21634	124351	125335	188145	198533	44484	41141	8899	11260	1	1	9460	40943	45897	44785	20316	19999	16352	19008	14029	15726	50241	47925	68184	64512	1	1	65698	65845	14940	15888	19489	19958	1	1	1	1	1	1	1	1	39380	33691	15578	12251	8790	6883	1	1	14930	13064	1	1	20396	17178	35852	37868	8261	8966	23841	20273	43417	45594	1	1	35873	28534	1	1	27219	11301	1	1	21686	17446	27558	36170	23695	27888
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C20 H3 Cl3 O7 S3	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8384	1	7694	7844	11866	12016	1	1	1	12274	9790	10536	11545	9323	12966	7972	9122	14407	10874	6988	6729	7445	9253	1	8854	12625	15370	12653	11549	10943	10169	9540	7653	1	7491	6122	1	8784	10828	10098	9731	1	1	11800	8130	1	12283	10780	1	1	7390	1	1	1	1	1	1	9592	10765	1	1	8317	7811	1	1	6978	1	1	1	8107	8027	10970	10156	6797	6092	7761	8420	10064	9973	1	6685	10231	8773	5974	1	8729	6013	1	1	8664	1	6172	8272	9709	1
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272.1738@14.022557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9540	1	41255	1	1	15240	1	1	8106	1	1	1	11177	7116	1	1	1	14596	1	1	1	30381	9806	1	8471	1	11323	1	14636	54024	1	14782	1	1	28926	1	10135	1	1	1	14884	1	1	31040
532.3067@8.075005	8979419	9329470	2539093	2590597	1173283	1146233	4696512	4578568	1.14E+07	1.07E+07	2973378	2981107	5719447	5616363	6217135	6327350	4477586	4219566	4941636	4955631	4575349	4643143	4851012	5174006	3599844	3632949	2.02E+07	2.03E+07	7448752	7846748	1.63E+07	1.61E+07	9743708	9748272	2.41E+07	2.39E+07	2.39E+07	2.35E+07	2.68E+07	2.69E+07	2.40E+07	2.38E+07	1.02E+07	1.01E+07	3.28E+07	3.25E+07	1.74E+07	1.80E+07	4882941	5032790	2442263	2680275	2.44E+07	2.44E+07	2137708	2084375	7650492	7724145	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
217.9414@0.61499995	566567	547202	734797	531431	512497	632696	703993	556002	576558	591067	549506	650001	627412	740399	594965	576758	626911	578952	478683	549089	498394	536057	630453	548129	596806	564765	550150	538467	707381	891448	496255	501714	489485	513720	446883	500120	534214	548198	548070	486292	558375	491969	606908	556428	662212	487421	490835	454394	378181	473219	643534	673042	564064	555840	509602	534887	580141	521940	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Inosinic acid	1189991	1167511	1268249	1306408	578932	587836	1298725	1293135	1140193	1164664	876326	858541	1110164	1117855	1392456	1337926	1316204	1301731	1197634	1208650	768150	783192	1961467	2028983	1154514	1247581	1427249	1417320	1813156	1827219	605300	610752	829975	828498	568437	577553	653829	640851	939018	948645	994779	986574	471395	466945	772439	784880	988968	995727	193883	190963	254116	283510	1223309	1173790	194017	193482	1545340	1575421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-(-)-Lactic acid nullnullnull 0.8969996	1428618	1490455	1211811	1243146	998276	1001697	1451745	1444813	935843	942083	852852	909516	1312396	1470690	2078247	2056267	48936	913616	998615	995617	1072174	1131315	1506619	1504372	94186	104634	1298863	1328732	76585	92843	4270849	4198393	6073178	5912049	4513768	4521279	3617866	3615802	7728186	7691039	4344107	4360257	5812166	5845493	6785022	6838385	8852173	9174889	2618450	2542095	2996123	3114671	8438019	8184758	1967458	1903456	5281198	5352656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
618.1619@0.9993881	27186	26174	29901	31485	23906	24029	37878	38373	35313	33905	24391	20892	24359	24218	37418	38023	29373	28213	38320	37943	18538	18160	36954	39231	34228	34930	28621	28953	34788	34486	263899	261014	548269	547534	621169	601921	303184	314065	1084921	1076634	254077	261687	399512	391247	265861	264367	583467	603927	144763	142455	114537	117784	1132052	1106901	162636	160985	882444	885866	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51300	52315	58762	57495	45927	46113	58433	63176	70437	75438	56924	57985	86129	78365	98181	100586	48905	48340	52083	54324	39477	36561	50248	46658	77030	77104	40543	40635	80179	83889	53081	51040	52603	52055	120865	114177	110131	113739	118287	114808	61127	60995	88734	89449	70870	72836	64273	64494	111459	104976	1	1	1	1	1	1	1	1	22874	26504	8619	1	7819	8876	1	1	13223	11754	1	1	1	1	1	1	19554	21805	1	1	1	1	1	1	1	1	1	1	1	1	8812	10250	1	1	1	1	1	1
120.0457@0.6140001	2164997	2171277	3060286	1663765	1359423	2613759	5263599	2024823	9011249	1664100	1229178	2299594	2055243	4226284	1837288	2387476	1963386	2017464	1668266	2405872	1812272	1734971	1797071	1041353	1113886	605158	918239	1213205	1814953	4085290	1306719	1694006	1246443	1435410	1230912	1469104	1308878	1905848	1032101	1298146	1463066	1615448	2000327	1439185	1669731	1173874	1018817	928653	778079	783702	786011	926932	876761	916017	789655	683288	772045	841462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.9063@0.882	360447	369225	334504	331969	470827	465295	315195	325774	429331	426061	475426	479540	399673	403214	280204	264921	385464	390356	381066	374661	466966	469427	232319	228785	460013	477367	387871	398116	283170	278631	697190	693025	765583	779024	836986	806359	801049	797032	542345	549907	792382	802256	602019	629797	337208	337065	468042	473709	727406	725423	478497	508664	563391	559789	1073719	1064511	797511	781537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
249.9841@8.166994	47346	36256	35333	21623	21305	45213	19206	43727	20933	47598	63507	58787	44822	50733	43307	36242	51828	33273	27539	23029	19234	27446	20119	36513	9553	19309	34309	36736	26405	19225	27795	18380	18815	35022	34123	37378	34030	36862	27724	40759	35563	32473	27558	35872	27295	43926	27905	29337	18648	19256	57039	42620	69498	58947	39631	46831	37775	40844	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.1358@9.795999	157978	166308	108639	105899	111915	108268	115323	100914	127994	123616	122964	121663	122854	119822	126505	122126	145372	132227	111912	106563	146098	153916	111859	123518	123542	117902	113288	107884	127885	128817	146432	152158	119849	121712	118651	119290	124340	132381	124994	122562	117486	120574	129813	128530	125010	127684	121642	122928	117184	113249	68061	57858	160647	153411	121287	117930	160269	159998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
444.3091@13.159993	68747	94601	21077	27120	14910	1	1	1	20042	12572	15547	22471	171166	19987	65255	45672	95976	57868	11911	1	21423	58863	1	1	1	1	1	1	1	1	80045	56800	76935	83741	47777	41481	86076	107914	410196	347502	130574	109440	107219	106894	154383	122592	1038335	457381	97692	94743	38118	24016	764508	271475	77808	47498	244448	206823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
113.9931@1.0532348	331894	3545248	183199	263662	456545	3526809	139499	1048956	268633	368717	263770	219430	135307	383726	274601	277314	119297	169265	312575	19143	312834	657102	172523	12201	182619	545616	211804	330557	81610	81107	246310	178906	198878	210173	165456	147129	97675	193248	72026	75540	150374	205541	70940	136050	1	45333	146379	28819	240590	97699	521865	320994	177773	433971	178109	28552	218523	206443	651373	607390	1	1	1	1	572053	3603469	655485	3697681	576310	603798	982687	1044454	617484	57608	1	1	288996	496695	725661	1	762060	787244	1	1	1	1	262610	1	1	870726	908349	929671	1	1	1	1	1	1	1	1	1	1	706129	1	1	1	479584	209585	298800	1	628226	1	948923	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
410.3028@13.2210045	68987	34809	11320	1	1	1	1	1	1	1	1	1	16511	1	24514	1	56307	9864	10930	1	19055	21464	1	1	1	1	1	1	1	1	26476	25445	34075	31450	28104	19532	36662	47843	328153	264232	60188	44856	35920	36477	51798	48613	651256	243293	50019	30647	12256	10529	464857	149062	24246	19907	115376	103895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
170.167@9.881002	360310	375183	354767	170923	1	466769	487987	1	233254	1	160096	158381	362134	323957	472761	273328	155380	69010	392170	302233	1	256868	301660	447996	1	217781	508183	521508	154764	439780	175329	175584	365114	188315	254893	294292	422600	473201	318069	154576	336280	294284	251508	418521	474224	334215	423320	356709	1	666375	691778	368377	371084	190244	149912	381946	484017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C16 H12 O9	1186258	1173653	1253226	20294	573891	591386	34132	35058	1134094	1152549	880817	867046	1159838	1163415	1380778	1391757	1294082	1306310	1254425	1261791	768370	775722	1919401	1983609	1156506	1238339	1448032	1458592	1774232	1786884	600954	605652	821282	821010	570705	573422	648946	636647	929142	939685	983804	975344	472917	465095	765873	778351	980569	983800	195919	190963	257240	283123	1205961	1157702	194017	193492	1524846	1551433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H15 N5 O5 S	359625	349147	448314	443804	241308	236448	483514	487079	422426	416517	270039	245410	340255	340958	318635	327143	349466	353865	323315	324594	201701	191831	536223	555555	320508	322413	277031	273281	488829	506590	36486	32913	69298	68167	41657	43960	35978	37674	153905	149391	44282	41360	40626	40715	89678	88283	75434	68390	41589	42704	10486	10970	96615	95285	19861	20076	74930	85090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
188.1413@8.05551	284918	62605	1	114493	1	37013	90661	79948	54196	107196	62158	1	87330	144664	20278	160430	233690	78681	48280	61544	43625	66365	249656	185003	1	171087	180868	79438	44030	144686	110355	124454	37290	35318	85623	115335	79809	80811	89749	131492	81714	80037	43812	41529	177392	74147	68584	72072	125438	224414	138818	182681	73965	85319	1	69925	227885	317278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44916	38034	1	150065	147297	1	135169	81934	84438	68512	197478	64018	121200	227900	1	208324	108189	184116	1	57270	90341	1	79820	45559	118495	108823	75310	1	57258	1	41789	57667	230518	156744	140105	93936	93728	78589	228068	1	1	1	1	229687	72934	203406	106656	49452	1	1	167655	61410	82910	63440	117715	172572	56827	81643	31196	291833	70031	22449	81215	44843	94883	237114	95502	1	189067	1	29088	77834	1	1	64177	93342	54485	1	28949	1	193808	1	1	62979	1	1	46078	201081	222331	93550	44930	73607	34963	44987	39431
193.9336@0.85400003	381595	374670	390047	385876	423497	419363	360648	350446	402595	402566	403323	403075	412711	396930	372574	364301	381424	381301	380331	385679	388475	386309	333360	332770	379582	396809	370804	386611	339819	352743	449613	451517	494504	496150	479968	452022	489880	505755	465773	477926	442693	472566	447127	494526	431471	433699	439960	471745	444439	450498	371186	319726	468078	454982	491021	506235	492426	495507	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.9656@0.84799963	207440	207259	212041	214708	218243	228062	203393	199706	227810	214092	220998	220226	223863	225970	198978	208881	210031	220899	214177	220311	220539	213776	193832	191098	217328	233908	213600	211794	194163	202708	278566	269789	278313	274919	277010	272542	276155	274245	269550	271908	282423	282804	251584	264707	252648	249551	259969	257345	258239	260964	212661	204873	279723	275806	273364	289956	295979	301503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.1275@0.98799974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9366	1	1	1	9425	1	1	1	1	9110	1	1	1	1	1	1	78431	77322	156633	161086	178072	173871	85997	91096	308419	284714	75428	74741	118503	119318	80069	76810	175294	186568	37059	38661	21573	21516	293780	294897	44108	44136	246322	245020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
134.0417@1.5790002	2691559	1403232	1906881	1950629	822601	821983	1095877	1220313	1448604	1406460	601288	621864	664771	766258	521803	523075	1335316	1493933	658527	605187	513971	508848	537832	507802	539074	576711	779567	703557	1031363	1023148	68717	67189	89776	103048	136917	144260	54510	63192	100218	97640	268855	276229	65613	130634	144911	70582	70836	65534	1	57647	44416	47960	167819	320286	1	23489	256959	261849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Dehydrojuvabione nullnullnull 10.267004	24108	68749	38092	48423	51553	49602	39090	39728	47131	33436	56140	60289	62521	61330	36658	70858	131869	63196	74519	49645	66153	65343	44211	51859	61159	42157	45843	38451	47406	33896	48340	34246	50702	40998	38295	31271	57901	63019	54077	66109	75281	76116	56562	37338	63199	48540	69162	67878	28903	35340	52463	29608	95622	45422	37737	33373	74286	82084	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
554.2886@8.075005	32204	34555	1	8670	1	1	14612	13479	42098	42295	1	10948	21601	17664	21633	23410	13924	13332	17826	16025	14049	13308	15739	16193	11141	11864	101769	103167	28707	29559	76712	78289	44809	42992	132812	129818	127446	131105	142801	150133	134128	126612	43365	41959	192475	196494	83070	89936	18041	17927	1	8706	137469	132391	1	1	32876	34010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
235.8761@0.8709995	170332	170451	182945	169447	197564	197256	158419	156663	158434	158410	193111	189275	187532	183705	176797	169445	168616	171628	172903	170581	205630	203735	145499	138028	169158	189278	191877	195413	165199	163425	260063	260557	240126	251881	245589	237227	254293	250844	233798	241369	239043	251922	266154	264425	283367	288541	263773	268019	298049	295050	156151	160619	239067	238398	288462	282412	218109	225456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
342.1217@7.815002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	76484	80991	52011	53965	228806	225351	136424	133155	47748	48292	256586	243732	162960	159453	135024	129711	105729	107036	36724	33518	13494	18308	277286	265886	56562	56969	201058	217594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
391.9054@0.8419994	242699	251480	235568	248041	272611	275651	226199	223149	241806	227873	261179	260454	271513	268223	243112	243723	250348	244657	253241	243324	271115	271536	192666	198163	228311	243305	268594	267746	228939	235896	293694	281694	266970	272839	263588	259493	260495	261159	256327	258272	276564	276306	263910	261354	289913	299222	277995	287686	287550	302568	154364	153747	282161	287207	269070	276090	270185	280674	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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356.8628@0.8810003	92790	96741	88577	97426	106076	100658	89871	100747	95617	113991	96013	99104	109767	115178	83205	86956	101492	94389	93643	96296	92730	94910	75357	83467	108999	102839	104745	97298	94702	92908	92554	95573	123805	117992	104175	104044	98556	101156	93737	96156	120765	122543	86837	86949	83602	87078	97996	96007	68094	64852	49055	51303	103315	98383	63274	61018	155966	155970	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Deoxyloganin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	59433	66188	75988	73927	31532	35101	51217	49830	89219	69964	89024	85984	49148	50079	84854	86168	174068	109936	28095	31020	27888	27921	137039	83395	18240	18106	104508	107394	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
156.0203@0.8950004	1086572	1125788	924738	971460	799248	840243	1114052	1100972	683103	692229	674108	750982	1081858	1123122	1714283	1711753	743693	745427	818106	773287	852772	881884	1153025	1077779	766580	848560	955528	1083169	973616	964987	3829261	3771589	5126644	5022986	3994502	3879300	3218335	3239232	6159059	6487244	3773829	3841684	5220792	5283135	5959780	6186088	7455029	7469202	2454816	2402630	2801926	2914574	6680811	6431770	1798614	1743677	4261422	4480522	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
304.0066@0.608:1	58631	56379	156069	49072	43550	172571	219276	52623	225851	66959	51299	111439	69145	222423	67141	91723	92308	70146	35371	77735	55302	75412	82002	51220	66095	55888	55438	43215	113549	326374	60655	81139	66022	83232	66959	68045	73962	95085	62049	68381	78332	92589	144812	86627	139765	73128	70448	62895	46039	60096	54393	64077	70298	70156	50008	55970	50630	62962	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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8-Epideoxyloganin	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60721	61500	72824	72322	26886	24156	37091	42380	47801	42818	68952	64679	31948	37697	65579	67185	121003	82724	23643	23035	20554	22178	108337	71675	14625	17025	108310	116100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.2986@13.164994	46427	41392	1	11867	182179	1	1	1	31146	18219	13802	16779	43283	13415	32159	13958	276934	34971	36313	44343	41096	44118	144694	1	64631	1	17574	1	1	1	38665	39762	45561	39083	25899	22562	49837	60333	156195	125736	58857	62192	57390	38624	76436	71796	304251	168341	59072	40636	19000	22491	283218	145868	33154	28869	123683	114257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.108@6.5159993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15477	1	1	1	82068	74612	97393	82268	38538	44790	36604	30870	45896	44058	56395	61421	45748	39361	52928	58589	63568	69695	42922	54810	20367	25283	114655	130665	37621	119519	137765	138674	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.8262@0.8800002	109470	107094	102143	103509	116108	106558	97168	97708	105563	109811	110620	103784	117884	116405	97547	101668	105990	103147	101455	99924	101871	97411	91121	94760	107851	111331	104217	106470	94804	98180	121158	118161	138437	138564	130153	127571	112382	116389	122590	125055	145300	147506	113046	116237	112018	117904	118690	125986	83823	91578	74059	71429	135379	134799	73213	73625	187835	190537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
D-(-)-Lactic acid nullnullnull 0.89599997	1428930	1490703	1214694	1246116	998417	1003327	1453383	1446214	935720	943682	845466	910096	1311011	1471411	2078285	2056933	948439	901287	1006112	998665	1059623	1134487	1507463	1504501	929896	963512	1299854	1371502	1251256	1377653	4276211	4201270	6090592	5916141	4521409	4516631	3620442	3617732	7740666	7711055	4409549	4369695	5819333	5851878	6791458	6847456	8984663	9186296	2620073	2544131	2980466	3113469	8452681	8200335	1968329	1904994	5377116	5462553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.1402@8.075996	32593	20020	1	1	1	1	14533	14175	25942	20632	1	1	15343	13212	13437	12716	1	11244	9379	1	36635	14637	11416	25185	1	8168	39535	33301	21059	28779	35408	29843	41383	22189	35251	42321	45205	46982	37301	55817	52402	52279	34604	26897	50358	45459	63851	47837	25054	30480	1	1	51880	55059	1	1	21079	32982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
250.1547@10.570131	11604	25613	17214	14867	25209	35924	9254	10596	15379	18444	28726	31860	31057	35589	19905	27503	32663	6337	36521	20487	26408	31567	14032	16517	30233	28552	35794	9115	53711	55368	164482	169626	96509	98668	39951	15497	112496	89854	21448	30089	33994	20007	121091	65478	33924	25202	24024	28596	45571	40295	35984	35692	33634	29322	19653	14545	31345	32817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11638	11718	1	1	1	1	1	1	1	1	9621	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10137	9258	9241	1	1	1	1	1	1	12802	12418	1	1	1	1	9138	1	1	1	1	1	1	1	9648	1	12900	15449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13710	10985	1	1	1	1	1	1
145.9719@0.9840004	160232	157835	171655	176260	111055	105215	176954	178347	180539	184886	115032	110204	133273	139703	109101	114211	207069	201628	138968	126013	105079	103053	164335	167653	142831	149089	147700	143416	188929	197021	20838	21329	19960	27035	15856	14488	14186	13527	38906	40587	15952	17099	16904	13950	18091	18647	31662	29631	16745	12813	7558	11634	22451	23725	12851	8978	38502	18189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
763.9492@12.045	14898	14794	10562	11665	10565	10194	10098	9643	10870	12258	10868	10762	16431	11876	17732	14379	18703	16734	15015	13604	14392	15493	11894	10933	13526	13410	11235	11423	10709	10994	10954	10784	10131	11822	9662	11406	11370	8530	12044	13164	10371	9800	10805	11142	11281	10383	13727	10771	9260	10628	11032	8379	14248	11062	11603	10321	9947	11213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.3279@12.878208	81860	78990	8772	1	29249	30047	19657	17432	36162	19347	35502	28095	59056	40096	26800	1	146063	36226	22181	17646	59854	86493	1	1	1	1	1	1	1	9321	50789	52422	57749	56729	35562	36537	63307	62834	140834	122285	96443	79583	80885	77807	30346	24889	149927	94858	85019	86272	16423	15466	77795	60630	74638	72069	20910	22625	1	1	19662	17330	1	1	1	1	7985	1	1	1	1	1	1	1	1	1	1	1	1	1	23283	17190	9077	1	1	1	17684	14252	17165	12256	1	1	1	1	59700	28982	1	1	33836	30027	1	1	1	1	15617	1	1	1	16964	1	1	1	157662	58464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.031@3.0764632	143818	50665	93834	74641	39406	42829	72715	63877	52676	80156	51394	73786	77490	63857	98593	110585	233641	81105	40005	81836	34095	42083	28381	52849	57338	106785	63947	79971	65754	36527	54311	51475	67830	54818	58840	90022	48287	69033	115300	133571	69977	67630	52247	66681	62094	46469	122902	136977	23520	47987	133731	214157	183074	186607	62578	59478	101873	104807	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33689	1	1	1	1	1	1	1	1	1	1	64712	24654	34479	62608	38792	14893	33364	60023	51644
261.938@0.7890002	18366	17807	16412	17186	18293	17268	18057	13890	19595	22805	17249	18785	21502	15233	10392	1	29163	19798	15032	16603	15035	16930	1	8624	16991	21272	10772	12097	10731	7666	25883	30541	29377	33390	30663	31264	31016	29849	29499	26551	34609	32062	27404	28434	14374	16257	18503	27136	26649	28232	20439	21483	32105	31781	28823	32577	40162	41913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
315.9043@0.88399976	49370	52886	45051	43922	60988	63520	42133	41415	57426	56242	60359	61915	46350	50518	35339	34490	55817	46930	50456	45880	61135	60864	34195	30904	57273	62352	52175	50316	37840	36819	92388	91106	98154	103778	110022	108472	106201	103839	73002	71168	102506	100050	78999	77558	45992	42435	57779	60552	96635	95489	65644	66896	74112	74603	136326	133291	97633	99707	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1155.7771@0.83700055	20448	19948	13307	16836	28570	27407	16669	18821	19116	17817	27173	25121	20769	26160	22498	19029	19713	14974	21402	17970	27986	28011	9187	10877	25764	24124	27410	22480	16137	16508	51322	52069	50866	52953	58084	49554	51513	50493	51227	52854	54044	53738	53558	53482	51228	50494	50273	48329	57286	55088	52398	54565	53706	56883	61013	65202	57407	56517	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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564.1252@0.9889994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22087	21512	46929	47503	49701	49626	25862	26589	91731	85382	22217	20889	34639	33648	22756	22595	49481	52028	12186	12109	1	1	82955	84589	13005	13510	71701	75412	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
385.0407@1.1705941	44989	48902	69973	73012	41201	40620	77112	80095	66817	69422	46322	46606	62578	61057	57705	56523	53025	48601	60925	56566	26428	25862	84096	83699	58098	66286	59040	57493	77975	78779	9990	12097	13187	15436	10572	11311	13105	10138	14207	14061	20967	18282	1	6972	15954	15927	20384	19259	1	1	1	1	20089	20543	1	1	24961	25283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16083	17446	11167	10992	16980	19466	7920	7402	20602	22036	18762	17174	26809	24831	10713	10383	28650	26638	1	1	9150	10335	28287	27331	33894	34139	20620	18436	1	1	12888	13119	1	1	24954	25363	6883	7384	1	6544	1	1	26807	29120	20743	22193	1	1	10614	9887	1	1	1	1	1	1	1	1	1	1	1	1	6821	8648	1	1	1	1	1	1	7592	6969	1	1	6741	8024	1	1	7366	8372	6825	1	11868	11857	1	1	1	1	1	1	1	1	1	1
sn-glycero-3-Phosphoethanolamine	340787	361434	428217	397443	248890	217787	425753	401636	351961	350539	257043	269138	83056	81358	288073	282211	339401	94162	316053	282345	226011	213992	83337	401821	277253	317854	264249	253316	407088	411417	41242	41679	51427	55189	50106	50454	40173	43274	72104	68631	48848	45113	39925	42164	56249	60357	51832	56362	39295	42027	29361	30878	59040	62632	38271	36006	63102	63596	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
303.8614@0.861	70675	69704	49164	69036	65707	67667	68690	59090	68973	51733	63275	60816	70738	69132	59644	58565	71991	74888	68093	66420	63211	58300	58002	55398	63201	66231	62103	65726	66916	64819	55892	56163	55646	51144	51844	45875	48844	51064	52508	51546	48923	55315	45784	45053	53140	54611	48803	53327	55433	56086	26991	28820	48474	43145	54702	50172	45376	49850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1686@9.363004	39336	40984	47798	44950	41172	41164	48290	26159	23751	44336	43704	46744	24694	51258	41306	41070	43834	50271	62306	52526	20714	44040	44993	25400	48897	41886	43054	28388	46438	31406	22160	52695	41906	50848	28352	51624	16293	48929	45382	41896	19105	38814	25908	49278	43897	26377	45101	58199	27196	25590	62884	49298	50287	59882	48053	39487	35092	30619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
649.8127@0.8440006	24908	25528	24395	19660	34844	32991	18719	16150	26133	28695	31733	31745	29575	29624	21504	20797	22049	22343	29509	24959	34584	35191	18839	14234	29540	32945	30931	21104	16791	15815	59565	59294	63831	64586	65268	60408	64662	64471	59943	57902	63366	59407	65440	60582	63203	60172	62135	59907	66624	69189	49682	53079	62083	55231	71055	76170	62351	60856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C7 H2 Cl2 N O4 S4	73756	74652	77669	80199	66164	66814	84789	75998	82245	75703	67111	74500	74142	72233	69131	64608	71071	76950	67024	69757	63816	50993	73015	72264	69774	71563	69815	62434	68275	72449	48075	37752	43827	35951	35393	33116	34796	40013	46617	45207	45962	37349	35392	38107	33342	42082	43871	42398	29053	37660	21249	22319	40865	37875	33590	35519	37312	34019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
283.882@0.85499966	57400	59903	61577	57382	74763	59951	57600	48742	58295	64537	64517	57181	71721	70502	58390	47308	61284	66909	55507	49746	62216	62025	49469	51903	64097	55268	66273	64801	54321	56242	62804	52022	49102	56293	56870	51651	52746	48189	49948	50788	55663	50380	47805	39327	49933	46548	49595	46624	47306	53176	26070	23313	46411	47645	46196	54235	53218	55060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
559.7475@0.87200046	89945	84137	82624	84836	104262	89522	80844	79664	100205	100901	98096	96130	96948	95271	66013	65993	100922	95058	85662	82067	88640	86266	58243	60963	93582	102372	81535	84541	64501	74007	122408	121696	153186	154742	135082	133379	139567	138763	112080	109233	135620	135816	99927	104514	81007	81073	100714	99700	106719	104826	46402	46696	102741	101250	139866	135040	149619	151501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
545.8357@0.84999967	93307	88866	88306	100078	73227	72586	103302	99993	91054	87455	79525	71987	81940	77429	68704	81840	96682	89991	85758	88404	67183	69691	98882	94110	74533	79370	81799	81935	106487	97177	35984	39500	43048	41960	35477	34581	26540	41155	37658	37188	37087	38553	33206	34989	34748	39785	36084	43336	36994	38397	17878	17544	38597	40478	42428	36849	40868	47355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
285.0539@1.0639994	21661	19107	14686	19738	13259	11547	15239	12196	20845	16006	12829	13026	30544	16396	22196	14601	98740	23870	27894	16584	17617	21299	14357	14029	18716	11751	10767	9697	13833	13039	20049	21433	33263	1	22942	23767	25315	27169	27466	26038	22578	23554	15779	1	11566	1	1	1	12759	12024	8137	6847	22701	24327	19092	23542	27268	25255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
277.0459@1.0060004	59838	65976	67479	66935	42227	39879	74999	74491	68020	63925	46111	42562	64817	61447	64512	59561	65361	68728	57219	62015	40425	41115	100772	101534	57801	59542	64480	65690	80379	84678	18428	17051	14917	14654	28215	28025	12528	12358	17114	16706	23407	23116	16468	15072	19208	21733	24505	24375	7181	1	7916	7037	28860	27985	7159	1	37022	34818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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303.9246@0.81399953	21241	20433	20255	20371	22723	20608	21008	19338	22999	24733	26529	21056	25287	23828	18407	13298	31084	25499	21413	20019	20229	24622	13038	20776	20210	24979	17847	19113	14665	16539	43129	41174	45876	40110	45220	44381	42786	45394	30531	33560	38292	37193	36053	37339	19490	24972	29039	29156	44415	43453	31491	27999	35072	35295	58024	57317	44978	48742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83700037	20044	17718	18392	17117	28856	29634	15897	16473	21819	21066	28294	28569	23674	25362	14376	22687	18931	18642	20493	20743	24803	27990	12752	13321	21483	26359	24520	24223	15897	13421	32817	35097	33348	33912	33515	33638	32450	32665	37305	34525	34984	36015	31433	33835	30916	34014	38635	36443	26816	28358	37086	35438	41382	42428	28221	30548	35748	36904	14978	13728	12924	13717	1	1	18370	18478	15867	18680	16656	17501	1	1	32886	32394	36362	36263	20295	1	1	1	1	1	1	1	13755	15811	1	1	1	1	1	1	11608	11228	1	1	1	1	33997	33845	9647	10290	21851	20697	23645	23627	35459	34521	24020	23645	25715	25944	36059	24812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.84614897	8990	10409	9734	9386	15603	15056	9405	8521	9892	11478	14743	15091	11856	14241	11087	13985	12412	9563	12603	10329	14350	12737	8659	6699	11594	14454	16517	13544	8736	8986	32498	31680	33236	32134	34873	35037	32793	34342	31417	32589	33293	32780	34159	31782	27993	29565	30260	29130	33822	35236	29270	27554	31986	31977	36291	37112	31154	33188	11059	11410	10027	10226	1	1	14567	12182	11873	11436	9429	12388	1	1	15290	11173	18086	18764	13358	10037	6748	6879	1	1	1	8134	11347	12034	1	1	1	1	1	1	1	1	1	1	1	1	16251	17245	7815	1	7250	10629	10426	11705	18505	18914	10906	10684	13340	12650	14208	10809	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
467.884@0.84600043	56306	54750	55926	53022	62531	61628	54619	45986	57196	52576	62133	59831	62653	62323	52633	50326	56104	54947	57416	56964	56726	58817	49038	47941	57210	57678	56637	57344	50319	49906	102540	97259	100606	97783	104590	100168	103851	102365	98903	91252	94781	91535	95571	104390	86138	91940	88795	94123	95959	96756	78948	75772	95438	94109	109270	107083	100399	105643	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
400.8338@0.882	40712	42392	40520	40755	30647	28043	41616	45983	37352	45296	30389	31679	37382	31346	29875	29174	43468	39341	34553	39552	25833	29818	38589	40321	30021	40229	33135	40025	42948	42813	16725	21397	26159	18073	19895	18572	22032	19721	17770	12919	14529	22216	13209	13146	13747	1	11411	11144	13136	11633	1	1	14910	12856	16833	18521	24861	27715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
831.8137@0.84099966	78933	72995	65692	74844	68214	65523	64084	68905	72889	74142	74814	74420	66683	73903	70798	74256	72041	68421	72388	78946	71348	69047	73724	62548	70781	66413	65263	71971	69929	57661	40695	41914	44041	47734	47441	41266	39323	43240	46995	49705	46997	41582	37376	36302	38597	38000	38291	43735	36217	38024	35292	32918	44052	52483	38309	34260	50362	51592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H14 N3 O4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38379	33154	37080	37327	14647	14062	17421	13912	16351	16446	23142	23387	15611	15313	21774	24391	23881	28037	13675	17401	8420	6417	34498	38947	9638	10396	42666	42786	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
624.1255@0.99100035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12370	11234	23598	23141	25402	25871	11551	16033	46301	45218	10802	11091	16828	17585	12308	9998	27966	26257	1	1	1	1	45038	41543	1	1	34744	34520	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
547.7359@0.8650005	49257	51779	54607	50060	52913	52268	54747	57619	56233	54262	52640	52233	51107	54215	36943	36318	58548	62516	50163	54422	50327	42674	40136	47839	61645	68566	49698	48480	40499	52568	74709	72869	92139	93766	83777	84398	88292	87217	69183	71507	80244	82494	61027	61894	50236	50693	57524	58857	69271	72827	29104	32775	65836	59818	94138	97673	88638	95574	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1122.2855@0.8440006	20989	20044	23194	18072	26726	27563	21585	20287	22135	19549	26129	26931	23972	18075	22945	17712	17990	18887	25296	24333	24757	22649	14716	18095	28601	24424	23512	25299	16335	16104	35352	33092	36887	38508	38731	38715	34407	38958	34427	38955	32794	34560	36459	35867	34373	30701	33726	32706	34218	38369	32515	28869	41005	37256	40392	35976	43150	44054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83700055	45622	43012	43455	40679	47578	47076	43032	43480	46703	43323	49239	49493	45776	46735	45323	47462	41410	42910	44713	46375	46606	46431	38253	39793	50211	49040	45917	48570	41781	42207	26386	27261	29373	28820	24341	25610	27201	28183	33573	34496	28150	27957	22401	26082	26582	25112	31474	30153	19018	18639	31808	30042	35544	37136	19522	19784	34210	33988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
214.0216@8.088005	1	10356	1	1	1	1	10337	1	1	1	1	1	1	7006	1	1	1	1	1	1	1	1	1	10768	10122	1	19645	1	14107	17918	19010	16724	14148	10485	22067	14219	21053	16699	29353	12248	19309	19773	10670	8302	1	11421	18768	19072	1	6500	1	1	24305	24794	1	1	14556	10369	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
581.3958@12.892009	71880	81391	19716	26858	21743	17693	8782	9033	31983	23946	46879	52535	109549	47956	105299	85222	298330	58492	78563	43089	55771	58332	1	11127	21918	22053	19756	16296	16311	13075	19028	18830	20497	21431	12294	19380	18784	18687	29957	21551	15734	8795	24925	15242	16883	23147	23926	27540	13832	26382	19645	24851	261672	17740	22477	19886	26849	24715	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
278.1636@5.0820003	30073	52219	33392	45378	19238	22876	28407	16283	24772	56047	20997	24771	20243	44262	24409	20181	55117	45075	18686	21537	17811	17747	80341	38959	22610	22755	63587	35100	35959	44823	11553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.2959@8.692995	11211	9760	1	1	1	1	1	1	11543	10286	1	1	1	1	7756	1	1	1	1	1	1	1	1	1	1	1	30682	29867	8418	9594	26445	25604	11586	10573	25071	23999	24277	23686	35743	31268	23510	22783	11521	12032	41914	45651	23119	25299	9078	1	1	1	47343	49862	1	1	11733	12066	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.7427@0.8689997	26754	25492	27274	23687	26628	31972	22729	24932	20772	22217	29981	29844	28185	27267	25585	21948	23713	20472	26082	27347	29363	31708	18702	19427	21573	26147	24174	25173	23439	17728	40301	43488	42110	41798	37682	37670	42508	43815	38093	37006	40917	35851	42132	36107	40623	39695	40606	41142	46063	46203	19286	19355	35192	37712	46593	46913	35966	33859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C5 N O S4	15033	21103	14029	17654	22826	24607	15409	14958	21189	17111	22336	18778	20908	19218	18986	26005	19354	16203	19517	21926	26963	35025	15709	16630	19622	24443	22953	22299	15621	16826	33044	31796	31943	30504	33935	28001	30757	30492	31459	32266	31262	28773	35438	37183	47826	46121	37792	38504	47988	45009	23339	23511	32292	33877	41539	38988	24395	27044	9753	10923	10375	9490	1	1	12065	11445	11072	11776	13233	13724	1	1	13511	15057	14892	17136	10387	8281	1	9352	1	1	1	1	11306	11664	1	1	1	1	1	1	7415	7202	1	1	1	1	16263	16204	9010	7093	11587	15099	16711	9966	20221	18481	15121	15434	16132	14297	17161	12518	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H7 N6 O6	1	1	8614	9829	1	1	8458	6910	6491	8993	1	1	1	1	1	1	1	1	1	1	1	1	7797	1	1	1	1	1	1	1	24184	23822	30889	29782	25511	24569	20917	21317	31385	28877	22978	23049	22531	25044	24235	24334	33345	34129	14320	13426	19193	15795	34685	32350	13019	12869	28465	28267	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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397.1544@10.557005	1	23356	23322	22888	22721	20842	21649	22029	31967	19173	1	20273	1	19739	1	1	1	23284	1	1	1	19593	20687	25003	30898	30945	25306	27164	26819	29672	84441	24559	35964	23070	25557	22872	31724	22107	30350	23507	25650	24087	24129	23426	22845	20194	24022	24832	23860	24169	29914	26832	25942	30602	28115	29052	28879	30285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Chlorate	309379	291986	327153	306084	209589	203616	363679	345153	300646	309218	206051	200626	237433	226305	265908	250466	333355	318890	272177	15564	186805	193394	376554	379472	245442	242365	266431	277586	14553	334265	40469	65448	58568	54561	27778	43255	35652	32346	50202	49785	62284	43984	23403	28013	30513	30844	45719	40352	15276	15864	48695	38380	66523	54414	11934	16904	50182	48903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
959.3202@0.8419994	9821	8593	8736	7179	13371	11524	1	8103	8864	13282	12208	11762	10268	11086	7050	11165	10224	1	9266	9081	13092	13683	7379	8689	14175	13854	8223	10227	8197	7820	21394	17910	21243	22620	21764	21136	21604	21773	18172	20190	22755	22220	20971	20956	17701	24510	18353	22175	23775	24973	16031	14176	21242	20749	28049	20776	20251	20987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C24 H10 N7 O12	13437	13610	15008	15840	10561	8725	17089	16679	17731	13901	10388	10162	15570	14188	13788	13965	14789	14818	13270	13687	10382	9594	23464	22664	13066	14475	13795	14697	18745	17853	9524	9228	1	9339	1	1	14165	11861	13472	13065	21833	23056	1	1	13789	10738	10669	9872	1	1	1	1	23772	22985	1	1	23413	26869	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.1039@5.412056	44628	31196	19589	38924	35936	18570	31872	21266	49965	35023	99157	22356	54140	46863	73437	107035	69433	68921	33806	32250	10254	24536	53147	29793	24321	19427	22109	60029	15779	34989	71493	76470	83314	59632	7289	26577	12068	45552	27588	7628	36616	14438	82636	52327	90128	129944	10268	49321	18343	12112	21233	1	14156	6670	27469	35050	22509	21098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15102	1	1	23410	11992	1	1	1	1	86057	12564	19658	51076	23944	32616	1	19902	21147	17704	1	12368	1	49224	1	101425	213522	32856	13300	1	1	1	56014	1	62207	47326	46159	1	12098	1	114906	1	1	1	1	9798	1	50125	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17003	1	1	1	1	1	1	1	1	1	43760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1009.7723@0.84099966	26232	23540	27106	22086	27653	33473	28934	28735	28248	32440	30482	33369	28777	28552	30113	24738	27964	21883	27656	31732	27054	28541	23852	26715	31890	36145	32216	30857	27175	28523	29174	22424	24442	28041	26683	21442	27738	24961	25476	27498	28049	26024	24145	24181	23110	17452	23388	28072	21006	20067	21905	24465	33112	29863	23559	29397	27895	26475	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
897.7784@0.84099966	41969	44024	34860	34739	42822	38480	30911	35799	33121	39856	42789	42217	40569	43887	38152	32109	37849	37698	36743	43613	41900	43017	35837	38683	33031	35610	33552	40075	38909	28747	71536	68646	71717	68272	68805	71335	70301	76782	68996	60861	72659	64525	71515	70827	79572	79358	75080	70216	93912	84492	39471	43737	64206	63605	90422	83033	65226	69950	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.9196@13.367003	69499	82056	1	65967	90093	115239	100236	53409	96875	113932	82288	21790	24745	39275	36101	54178	1	1	1	1	1	89053	1	1	76918	69354	60460	75810	1	69488	32258	47487	39381	226238	62108	1	7940	41980	55303	58093	70084	24464	48645	1	37676	207589	47798	83708	36284	33039	34870	50113	67629	47009	150023	212588	108876	79751	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
801.4369@0.86775345	1	7220	7715	7132	6017	8497	1	6089	6653	6473	6406	8383	1	9443	6156	1	1	5965	1	6186	9827	6400	1	1	1	7988	8713	6374	7184	1	18190	10849	15467	13973	17082	15376	14935	17374	14021	15485	15029	10299	14958	14482	12780	12613	11117	12580	13328	16107	7333	7107	14565	14295	21289	22929	12197	11802	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6640	8430	1	1	6854	6056	10165	10197	1	6122	1	1	1	1	6696	5696	1	6046	5830	1	1	7380	1	1	6198	1	6108	7416	8754	8474	7555	6734	8840	12747	1	6735	8263	8472	1	1	9620	9052	1	1	7229	1	6471	7503	1	1	1	1	1	1	9304	8812	1	1	1	1	7843	7693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8951	11995	1	1	1	1	1	1
394.1794@11.02	113076	108045	137476	121974	60414	120219	117387	102400	71484	117437	134270	100576	85540	104303	99723	95002	93907	97918	92573	95831	56949	52021	355103	59118	143951	97086	128044	130247	126925	129689	109483	107862	132061	116540	118955	88563	130478	109661	119942	144368	122844	131717	132137	77885	112020	109953	112877	69177	135337	120478	143898	153167	129674	132889	127791	134910	156772	151962	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
761.8659@0.8429997	1	6976	5905	1	1	10491	1	1	1	1	8532	8134	1	6904	1	1	1	1	8441	7688	6942	11173	1	1	8731	7567	1	1	1	1	18191	17469	18463	18321	18994	18938	18929	19688	19010	19807	18862	16671	18717	18591	16256	17801	18099	17580	16091	19948	17654	15271	18265	17145	20529	20719	19174	19746	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
174.0532@8.075005	1	9766	1	1	1	1	1	1	14956	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19939	19392	1	1	14767	15500	9026	1	19926	18851	20698	18489	20726	19011	18700	18763	10842	10106	20593	20902	12689	18669	1	1	1	1	19775	21307	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
803.6615@0.8689997	21158	23443	15908	29305	23092	20042	26393	22250	23701	31215	22673	19001	28576	27416	9549	20913	28762	26876	24287	22623	21122	21211	23565	14471	19455	20057	18260	20084	15618	19231	25219	20526	32257	31379	26236	24827	31512	31010	24650	22920	26053	24590	18372	20166	13894	11524	19584	20361	25104	18018	1	1	20767	19408	35779	32958	31255	32232	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1109.7388@0.8419994	31780	33593	31033	27114	38500	39700	29770	24695	31258	29286	37773	34688	37696	36704	32361	31389	29398	34991	35460	31140	34257	38072	30458	31414	34316	39929	36420	37443	33372	34041	28666	21828	28348	28911	28784	18748	30675	26548	31856	24754	29249	27880	25536	27783	30011	24991	23523	29128	22634	23824	20383	19090	36601	29044	19271	24311	27749	30540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
328.1927@11.2479925	26786	26762	24163	34422	46103	26601	24912	29854	31348	28755	30290	30240	26998	29846	52903	28321	31471	48801	25227	27174	20906	21742	31150	28271	26628	30666	33293	38221	34040	25503	27782	27783	32310	31966	32902	33986	29812	24274	31160	25733	36100	39720	29066	29742	25901	90182	32633	31110	44024	31719	36955	65529	27498	32561	40651	28481	30721	26580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
2-Amino-3-methoxy-benzoic acid	19546	19327	16317	17129	12043	12344	12439	13904	19050	18350	14441	14193	1	15760	15348	12101	22750	19980	16045	15894	23365	20767	1	11973	14229	15564	14214	16035	19887	17308	17272	19039	19900	21206	19668	19771	11521	10298	19989	22092	13675	16454	12846	13090	17420	17534	25464	22187	6574	9785	10765	9923	17248	18878	5869	8336	12833	13150	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24497	26924	17345	16957	20635	22888	12713	12860	18252	17651	18579	18692	12872	12454	15308	13602	14453	17629	16085	14764	23583	25959	18872	17631	12991	17450	15734	15038	13842	16883	23198	19466	14081	15317	18151	18949	13085	13550	25080	29931	16596	17053	13758	17417	16012	18158	15497	15105	20175	19146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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<none> nullnullnull 0.86563045	8370	9519	12180	10264	11907	12498	9344	8463	7881	11323	9675	12913	11090	8211	11384	7766	10890	7270	10320	9803	11208	11731	8971	6104	8246	10577	9304	11137	9781	10888	18098	17499	21423	20018	19494	16517	19028	20053	19263	19124	19377	19857	16764	17545	15210	16110	13821	15264	15848	18360	7273	8993	16046	16465	19052	17046	16545	19085	9381	8337	8235	7208	6370	1	10422	14122	11355	12122	13559	10633	6972	1	5963	1	11089	11724	12270	15824	8334	9852	1	1	1	1	11086	9379	1	1	1	1	5518	1	1	1	1	1	1	1	8402	6797	1	1	5643	7477	6543	1	11510	12128	6572	5692	8150	6626	1	7896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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154.0616@5.612	1	238594	103744	62920	23516	21401	1	9158	1	1	19723	1	58718	1	64760	59259	24506	1	1	1	56312	69057	133115	82771	1	1	112721	1	1	1	26533	238536	20983	217580	191273	130798	171317	1	197472	1	69621	79202	1	60735	11217	26055	64101	157365	50345	23178	15472	55935	55200	1	85267	1	29041	173466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1344.7618@0.83800024	1	8424	1	1	10980	11936	7268	1	1	1	8451	9445	8676	9855	7171	8847	7586	10483	9402	7707	10120	9873	1	1	10497	1	8054	8007	1	1	21335	19359	18163	22536	19323	20285	20611	20432	20643	22131	22170	20646	18851	20507	19093	17761	19974	18732	19402	18111	18122	21374	21400	24165	22603	20081	23295	23011	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
404.2004@11.541994	59593	42620	47084	66321	37793	65000	55331	64408	61196	68995	36082	72409	31519	33294	47179	1	42451	51106	39757	25996	35499	39746	42186	41132	40278	70882	42299	37313	46584	31170	65755	44263	38651	38090	41829	37719	46170	64344	37996	62688	38377	31711	44538	62783	27556	65947	68295	33859	39010	45748	43783	44793	36803	90617	42398	56362	49401	43026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
215.1518@6.52361	1	1	1	1	1	1	13833	12545	1	1	11465	11339	13884	16422	7288	9495	1	1	1	1	1	1	24025	27192	11115	11666	1	1	10010	12464	11760	13423	15928	16275	1	7699	13187	15895	8448	8967	14943	12083	20346	19425	19073	19164	10383	1	8159	9159	1	1	15808	14882	1	1	15675	20136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12459	11950	8644	6760	10583	10924	11842	12222	1	1	23390	25303	7950	1	8431	9187	1	1	15726	14639	9386	9712	8438	8267	11273	9805	7903	7371	7063	8873	7825	7650	7996	8159	8784	8534	9156	8829	1	1	13738	12873	10738	8772	10074	10510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1212.1774@8.083006	16056	17064	1	1	1	1	10482	9900	18297	19782	1	1	11291	11334	13476	13769	9517	9271	11809	12668	9624	12643	11573	13651	9558	9951	23477	24234	17027	15480	22405	22695	20312	17682	24432	22569	23525	22216	25278	26765	24118	22589	19620	18703	22357	22445	22271	23476	12576	12217	1	1	25380	25767	1	1	16296	16701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
455.8048@0.8650005	35491	37379	37109	33333	31449	34397	39105	39427	43722	41164	27832	34156	33449	36172	28355	25289	40286	42299	38156	32804	26488	27551	34804	31354	32543	39706	30587	33378	26789	28781	24033	21810	27224	27948	27328	25695	30157	23135	15547	17176	29205	27318	16622	18114	9148	1	14598	15818	17878	21919	1	1	16043	15541	30577	29938	30755	31659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
197.0323@13.1740055	1	1	33271	1	1	1	1	1	43464	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9596	99910	1	1	26141	10724	109907	1	13137	1	1	13932	72082	69905	1	70502	106887	1	1	1	31235	109450	1	1	11817	1	35719	53910	172341	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.1645@9.848792	1	1	1	25692	1	1	1	1	1	1	27407	1	1	1	1	1	1	1	1	8475	1	8390	1	1	1	1	1	26716	1	1	43837	1	1	1	27623	1	1	1	17847	1	1	1	1	1	1	26524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.1405@0.98799974	12051	8644	16705	16724	6619	1	18449	19573	14855	15580	1	1	12435	8222	11520	16450	12112	10289	9616	9890	1	1	19916	19492	10089	10412	6155	6631	17177	17362	13963	14547	28501	30091	33034	35281	17716	15581	67448	65467	14772	16080	22046	24594	16442	14133	34155	36993	1	1	1	1	70943	68832	9236	1	52625	52054	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Apiole	22882	22367	1	1	1	1	1	13640	1	1	1	1	1	12085	8246	8947	46362	1	15791	32642	1	1	1	8165	1	1	1	87561	1	10646	14144	19138	14626	15925	1	1	1	1	15297	10145	1	1	1	1	13629	8157	11252	9226	1	1	1	1	1	1	1	1	22585	18611	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30310	35703	33891	22678	34618	36772	22995	16029	24603	20556	25980	32456	26782	28381	31731	26550	31614	28442	40731	32744	37508	36409	31380	34215	35837	31821	23717	34753	32246	31062	31748	25874	24568	21954	26969	16907	27403	37599	34360	32840	44739	27954	21802	18094	34180	41216	35252	28217	13481	20672	1	1	1	1	35034	31680	18411	17840	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33210	28375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
TG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso3]	21101	20816	19395	20088	26323	25781	19510	20906	19727	16147	23429	24924	23316	18799	21164	18368	19617	17000	23260	21261	20757	22174	18832	15490	26743	20458	25363	24279	21074	16921	21766	29385	26345	25767	21068	28099	28695	22324	24862	27520	20200	28866	25960	22202	21528	21655	27833	29326	23633	28394	17432	22294	28493	28447	25180	26945	32370	27846	11172	1	8606	1	1	1	8587	8147	1	8028	8633	9189	1	9682	13783	12544	15155	14835	9090	1	1	1	1	1	1	1	7932	9399	9186	1	1	8503	12129	1	1	1	12223	1	1	9964	13881	13682	1	1	7686	12487	10538	11950	16356	16189	12637	11402	7623	11504	16269	8659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
584.1254@10.525001	22418	20864	21996	23924	22058	22123	23644	1	26624	22110	22822	21981	26015	22056	21100	24789	1	22769	23821	21429	22808	19477	39288	22336	26263	25427	22804	26363	24993	24086	25960	26562	25829	25388	27944	28339	28780	24820	25364	25681	28934	21940	26145	25978	25603	23827	25522	24524	28155	25339	29998	29423	26730	29544	26549	28876	27603	28226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
254.1511@8.765007	1	1	11717	8771	1	1	1	1	7133	10980	8704	11574	1	1	11843	11480	14763	12722	8498	8971	1	7486	8609	10991	9376	7009	7090	1	9006	7888	7777	7586	1	8704	8679	10281	9908	9844	1	11184	1	8414	7840	1	7249	12366	1	1	1	1	1	1	1	1	9134	12090	13716	15513	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.7062@0.861	24829	22716	26997	24749	24053	21261	19091	24935	25028	26075	21649	19791	18706	24993	18692	17359	28440	25588	21453	24776	22217	16725	21506	23393	25269	26325	20475	20073	20452	19277	16357	12772	21625	18522	15191	16265	16230	17972	15983	14234	17517	18546	11521	12190	13715	10757	15210	12569	12560	12187	1	1	14806	14648	21193	18563	21436	21842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
720.0963@10.546998	1	18237	56121	22090	1	34951	1	15960	19192	22034	1	22279	1	32815	1	1	1	1	1	1	1	1	1	1	1	20944	35920	27870	22387	19967	45593	24367	35241	24008	21555	25774	45715	21213	62664	47790	22721	21971	23638	26510	22068	22426	23622	84779	23578	24886	23485	25316	27316	22850	22543	39968	20036	25348	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
515.6653@0.86399895	19237	15990	20283	18313	16249	19075	17419	13534	15244	17576	19598	20847	16220	15617	15707	18554	18822	14971	15060	18028	17988	16925	15328	14718	19245	15346	14980	17027	19238	19292	28370	23852	23928	20968	23152	25532	24229	25649	23507	22138	17533	19722	21858	23100	19774	20108	20270	20433	24688	28946	8497	10067	22613	17428	28328	24196	20339	20433	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11358	12500	12596	13225	7616	6114	11156	11882	12306	12050	11364	10434	9586	11260	10582	8583	9292	11085	9787	10339	10836	11655	12081	11171	9378	9592	12776	10767	10906	10315	14861	12590	10624	11221	13015	15174	11322	11316	13107	13427	1	1	13340	12401	5659	1	9756	10371	12363	10745	6112	1	6074	1	1	1	12114	9490	1	1	1	5487	8509	7415	6034	5589	1	1	5809	5628	1	1	1	1	6007	1	1	1	1	1	6031	6462	1	1	1	5594	1	1	11681	11316	1	1	1	1	1	1
725.6711@0.861	21196	16688	29120	25253	23116	10614	19241	27386	20885	29411	20808	21005	21498	22271	14543	21594	34694	31002	23695	27553	19722	15170	32146	22360	22704	27610	12430	23522	17044	25761	23327	14921	22118	23017	21949	24979	16573	30059	22193	18240	23796	17734	19250	17074	18943	18609	13330	21466	21552	15624	1	8230	20060	14863	27428	24937	20779	23630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H2 N2 O3 S nullnullnull 1.0376935	28245	1	1	36731	34541	30142	31828	1	31044	1	29059	1	23119	1	27970	1	39232	1	14968	31064	1	14552	1	31321	1	1	1	1	1	1	74122	61131	1	35512	66549	16747	57601	59506	1	50077	8705	38442	78294	65450	54942	1	1	1	8990	72944	1	1	1	68195	108379	15588	54476	1	60879	25784	51662	13440	61347	1	19566	1	18263	18144	33561	35827	1	1	7615	16150	1	22049	19598	25199	1	7402	1	1	1	1	1	1	1	1	1	21005	1	1	1	18082	1	1	1	1	1	1	58276	1	53560	11077	15786	1	6769	11206	10737	10606	19740	9155	1	23478	12109	58544	12764	5449	1	33160	11954	6791	12100	41756	1	34899	37522	51172	11687	1	1	53933	12626	11018	1	11626	23692	29140	9978	1	16176	1	11430	27623	13969	14740	5778	24168	43103	7821	10605	12260	1	9772	1	6649	47802	1	33389	33085	1	12813	31851	27534	1	47220	77020	7705	13417	50122	70707	1	5927	6153	36905	31900	1	1	7284	1	1	1	51561	1	1	32120	1	1	1	1	14706	1	7864	8204	1	1	1	1	31111	1	1	1	21406	14265	6489	6101	31945	23392	6484	1
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C14 H Cl3 N4 O6 S5	21685	22887	23490	22645	23874	26961	25060	24115	25965	24847	24347	23864	22275	25917	21554	21492	24997	25517	19934	20190	23439	20262	19813	20965	22512	21994	21194	22932	22056	21616	15815	13452	17472	16036	15851	14839	13245	16548	15983	15049	14516	17739	12256	14779	13392	12538	17520	16431	9519	10608	8347	9437	17452	15121	8479	10393	21928	18309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Threonate nullnullnull 0.8919994	230196	238079	336077	340471	273858	276208	391267	404777	392856	375093	245649	256215	319362	316344	388430	393199	182847	193100	290538	302872	181013	179770	389565	409337	193393	200214	232079	226289	253843	275183	242919	249771	216360	220785	211922	210399	245408	244116	517111	509268	316894	303821	267250	298260	355270	353789	482350	493807	88076	89706	139897	153626	438788	439259	98961	97617	348978	348663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C7 H14 N4 O8	6434	8921	6811	1	1	1	1	1	1	1	1	1	1	1	1	6540	1	1	1	1	1	1	1	1	1	1	1	1	8095	8940	9110	11301	10342	12271	7368	7591	6267	6097	8708	7753	10616	8800	6097	1	17801	16180	11075	12524	1	1	1	1	7173	7809	1	1	10280	9288	10224	10513	11039	11216	1	1	11327	11726	1	1	1	1	1	1	8952	9538	12454	12761	7479	7816	8560	9027	1	1	1	1	1	1	1	8811	7478	8505	1	1	10186	11455	7160	9004	1	1	17785	19013	10827	9832	15940	13847	14584	16554	1	1	12199	11687	19933	19790	16870	19060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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768.3629@0.83800024	6770	6915	1	6723	10906	10579	1	1	7537	1	12195	7672	8246	8716	6587	7638	1	6778	7451	6382	9587	11118	1	1	9065	9616	10063	7865	1	6081	13793	13662	12792	13718	12510	10390	13102	12249	14648	13071	13224	14543	13489	10424	12831	12974	12964	14046	8758	10550	13161	14604	16014	16259	9871	13103	15341	11279	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
92.0108@0.70399994	1	47312	80180	33943	84052	89599	47038	88857	77000	91522	91360	93452	97249	87598	61817	83382	38538	80351	1	31482	1	53766	1	23889	85875	1	84175	89021	88850	82085	87667	84969	1	45593	53342	1	92749	90225	1	60884	91685	1	1	65149	1	1	1	88749	86850	89032	67396	105568	98900	96150	102412	100630	1	57451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8689997	13566	14592	15207	17062	14334	16454	14945	12188	16018	15559	10645	14788	16764	18280	13442	12128	14103	11154	15161	10607	12469	14069	11127	12736	8811	14134	14642	13245	12088	14336	11194	12499	11063	14775	14542	8605	11930	14476	14003	11285	16666	16126	10086	11056	12472	10653	12030	12439	6413	8792	5840	5899	16960	14351	10642	6120	17125	17887	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
710.5986@0.8708184	18187	16597	21211	17463	12820	18401	19196	24455	19535	18384	16806	15778	19044	18079	18023	13471	18424	15280	16224	16644	15418	14517	17619	16020	18570	14642	13139	13649	20486	18141	13562	16443	16930	18257	19497	18226	17178	17513	16829	19775	23591	15417	12903	15089	16474	15331	18310	14737	15987	12089	10379	7797	20498	19841	10885	10637	22323	26850	8358	9322	8931	8852	5834	1	11677	12544	10986	10613	10302	11390	1	1	7738	6473	13264	14507	11750	10709	8102	11356	1	1	1	7680	11148	10756	1	1	6565	1	1	1	1	6387	1	1	1	1	12075	12248	9299	7536	7448	10485	10428	13214	12782	13615	9685	9731	11783	10452	11353	10158	12526	11732	13016	13363	8891	9404	13050	16648	12043	11254	13336	12958	12889	14672	11963	13005	12501	11776	12807	15201	14462	13735	14580	14015	12986	13085	12599	13687	13182	16118	16622	13858	13562	14480	14215	13935	15506	14591	13243	14227	7930	7871	13398	13399	7637	8874	13526	13131	14224	14547	1	1	1	1	1	1	7446	1	1	1	1	1	8919	9538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8618	8606	1	1	1	1	1	5908
1029.2688@0.85100055	12342	8254	9111	1	13746	13586	1	1	8490	9150	13698	9348	10812	12094	10134	10076	9313	10501	8618	8403	9355	9742	9710	7641	8798	9919	11760	11683	9463	9434	13487	15269	15675	16078	17520	15663	14102	16234	15355	16029	14345	13886	14122	15347	15339	13672	16338	12579	15418	15654	7966	8342	17092	14896	21995	21808	16162	15609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
516.1393@10.710002	17138	20954	18760	23101	21314	1	14482	15885	19071	15519	39308	19032	19951	21756	1	11968	17160	18243	10508	16916	15621	18994	12007	21218	18919	24433	13928	24921	29472	25924	21412	22845	22881	19362	19873	28630	9883	18490	9449	23636	23209	20583	19829	25166	22689	17049	17929	1	1	18490	25667	23797	17495	18266	27199	26792	23201	18743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
793.8666@12.802996	1	1	1	1	1	1	1	1	9479	1	1	1	1	1	1	1	1	1	1	1	1	1	40568	1	1	1	1	1	1	1	33129	24989	30514	1	1	141077	1	1	17447	25238	27831	1	99309	1	68486	1	1	1	22904	1	26855	1	1	125359	1	102090	1	45315	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
257.8852@0.85699964	21007	14644	15030	21742	11462	16702	20717	17401	18201	21666	11319	11343	16642	14245	22084	19965	21378	21336	20388	20139	18309	17964	23286	21399	15692	15023	17453	21281	20652	21053	8686	1	1	1	1	1	1	9732	8524	8090	9391	1	9084	8953	14587	12231	10808	10702	11557	11953	7735	9659	9910	9807	10337	8435	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
174.0558@1.0149996	30292	34860	39489	34857	21637	16548	34780	37629	33091	22827	20693	16965	22616	24779	29396	34521	31544	37018	31027	28226	29271	26038	45159	51289	29111	38067	30736	25518	53765	55444	28099	29897	39639	38206	15440	15297	14417	13070	15027	13071	18673	16614	23519	18224	27536	25363	15157	16117	15590	13103	9469	11166	17074	20411	9626	9213	43480	39387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.198@11.591002	121548	1	1	1	1	161886	1	75307	1	69616	1	89858	1	105387	96632	94110	244092	33273	136396	1	1	100094	86563	66652	1	88574	1	95657	1	1	14303	1	1	1	28670	1	72113	1	1	74738	1	1	20496	1	1	1	88845	75718	1	54604	1	1	48483	1	88726	1	97255	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1257.679@0.8450003	14826	16730	19106	17540	14374	15760	21131	15484	18562	17305	16184	16622	19379	16939	17289	17045	18636	19907	19679	17350	12524	13398	16497	19767	12728	15844	13938	18005	20336	19514	8802	5791	8600	8542	7459	10388	10459	1	8727	1	9283	9436	8197	5774	7015	9200	6612	7991	5850	5796	5543	1	8796	8781	7128	8498	8764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
739.4755@0.8650001	1	1	1	1	1	1	1	7117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9639	9781	11191	9031	12368	10017	10459	9564	10447	11522	7772	7835	11837	10924	10505	9268	9658	9580	10603	12389	1	1	6783	9131	16768	15705	10918	6649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6863	1	7364	8207	1	1	7496	1	10755	8818	7084	1	6499	1	1	6487	5773	6840	1	1	1	8468	7068	6509	1	5654	6164	6873	7457	6261	8587	6652	6492	1	11521	9939	1	1	9790	6122	1	1	7977	9294	1	1	6881	1	8709	9181	1	1	1	1	1	1	8562	8059	1	1	1	1	7109	8261	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9281	9442	1	1	1	1	1	1
PIP(16:1(9Z)/16:1(9Z))	12814	12606	10730	10629	14221	13420	10564	12474	15330	11374	9272	11720	8380	7290	10122	7323	10830	11711	9548	9390	10217	11881	11657	8217	9820	11215	10808	10989	9516	11209	12567	13059	17652	18060	16061	18932	17770	14977	16455	16003	18960	18282	14485	17453	15633	16800	14327	17046	10865	9691	1	5648	16087	15614	7396	7303	21916	18559	7630	7778	10025	8263	1	1	10516	9784	15311	8808	9872	9920	1	1	1	6318	10974	12138	11899	10898	11767	11285	1	1	1	6897	13588	9811	1	1	1	1	1	1	1	1	1	1	1	1	9237	12296	1	1	6354	1	8662	7062	15676	15135	5714	1	8061	7481	9385	8646	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
794.4694@0.86700034	1	1	1	1	1	1	6758	7536	1	1	1	1	7071	1	1	1	7670	1	1	1	1	6319	6377	1	1	1	1	1	1	7309	11038	9082	8917	10265	11395	13204	11192	13146	10059	10357	10373	8852	11506	9673	12653	9419	7978	9985	12933	12210	1	1	10204	9753	15151	18184	9559	9067	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
821.4474@0.86600024	6575	1	6809	5435	8556	8977	1	5735	5666	6188	7395	6558	7633	8271	8657	1	7432	1	5915	5723	7743	7488	5529	1	5747	1	6019	7319	6279	1	14408	13290	11308	11992	12346	14280	17306	15018	12577	9666	13483	13595	12648	17336	12854	11284	11015	13160	17956	15331	1	5501	10345	7225	17698	19793	9866	10082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
851.329@0.8400001	14723	12198	14163	12583	14311	17428	12318	11638	13032	13991	12475	16525	15661	15074	13325	12831	9927	13364	12098	14540	15689	15918	11775	10904	15766	16140	14384	14345	11355	12053	12321	14390	13707	11988	11947	12369	11774	10749	15270	14870	11032	12093	12130	11496	13026	11161	12141	13239	11585	10928	11487	9909	13574	15425	10558	11982	13913	14346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Aspidinol nullnullnull 5.531042	17542	34928	1	1	1	1	1	1	1	1	1	1	28946	1	14273	1	1	1	19130	15298	1	1	1	1	1	1	1	1	1	1	75273	1	1	77474	1	1	1	57576	1	1	29803	17392	1	1	32424	1	22927	12749	1	1	1	1	18619	16809	1	1	129146	38606	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29571	38741	48457	29231	1	29806	31626	1	1	1	1	38539	43177	1	1	27804	1	1	72648	1	47565	66990	36670	46170	51649	35027	15863	1	32448	43769	38590	52757	17592	44593	1	1	48107	41183	25562	32185	47273	139233	39712	1	1	1	1	58739	34491	19552	1	1	1	1	1	1	1	1	1	1	1	1	1	16380	1	1	1	1	1	1	1	1	1	13414	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
58.0418@1.3479997	20650	16008	1	1	21179	23000	27607	31077	1	1	22175	30107	20413	14781	20870	1	19883	26681	18923	25639	26704	31376	25103	25914	18447	36395	28581	38846	33634	31537	43231	32177	42769	32647	34354	40333	30966	27062	36118	24700	40074	60144	33525	36770	39480	41675	34131	30843	33136	42607	35541	35796	41026	42302	38742	30456	39420	42743	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
788.4778@0.8678909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11959	12207	11837	13212	11454	14090	12753	14135	11612	10642	10706	10983	12962	13086	9279	10259	10594	10142	11583	13538	5639	1	9608	8556	16232	16774	7349	9736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12298	14266	16632	15332	6378	5592	12041	12653	16553	18585	11929	12134	11617	13886	12115	13262	14010	13296	9327	10277	13312	11056	16188	12965	12114	9294	12654	11636	13289	13550	16162	13471	11846	11456	19734	17698	11901	13272	13788	14937	1	6381	18231	17676	1	1	9046	11231	18508	16389	1	5849	6622	6996	6244	1	14999	15411	1	1	6733	7374	11863	11276	7394	7903	1	7004	8138	6822	1	1	1	1	6717	6458	1	1	1	1	7873	6675	1	1	7240	7623	1	5860	18143	16276	1	5898	1	1	1	1
1034.9923@0.84700006	1	15580	17874	12670	18164	14511	18328	14306	25581	10841	16371	18170	25988	20775	22068	34227	17206	16896	11173	21696	23940	19164	21468	11882	17441	12088	10337	12390	24762	22342	15756	15519	10121	12404	10493	29621	15216	15377	11856	15043	17290	14095	24783	18593	13859	11084	16482	10711	10913	12996	1	1	10985	6993	1	9064	10039	10305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
819.4572@0.8667843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8586	9141	8663	9296	8492	9084	8782	11781	7560	7951	8917	8718	8500	9253	7437	8849	8664	8668	11218	11715	1	1	7049	6868	12351	12437	6325	5533	6797	1	1	1	1	1	8388	7195	1	6555	6485	5871	1	1	1	1	5652	5593	6225	6510	1	5546	1	1	1	1	1	6325	1	1	1	1	1	1	1	1	1	1	1	1	1	7103	1	1	1	1	1	1	6732	7514	1	1	5473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
453.9294@0.7109999	795280	791828	35327	16076	36216	1075283	723744	704121	824210	794703	35008	39202	904871	31851	37195	36493	38354	734816	35634	843928	1073337	31687	44661	656576	970387	50659	36712	48264	714374	742498	37965	1756429	39631	40692	43247	42735	1835519	39220	43814	1741944	42459	37698	1855659	41148	45639	46841	41533	1832077	1929204	44055	51027	20537	50146	53186	54762	22572	47848	48807	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83800024	13928	14743	12473	12935	16797	16662	12350	13045	15077	13841	15634	18619	13751	15185	16239	16862	14494	12040	15270	15760	14979	14709	10929	11727	17852	18449	17621	16080	12936	16576	12316	8046	11675	11971	10972	9452	11557	12689	13454	13164	13421	11843	10581	11947	11223	11458	12371	13375	10636	7652	11180	10156	16750	15298	7721	10348	14224	15230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1849@11.158001	1	9235	9765	9695	13414	10282	10050	12766	12246	12107	10947	13101	16776	9845	1	1	1	1	12598	22525	12619	18828	10330	14505	11969	12343	10637	10248	14547	8067	14324	14465	9108	15778	13464	16721	16992	25883	16080	21890	13157	14925	16289	21533	12507	13782	17383	12786	98277	85191	12621	11558	15100	10748	16162	17092	13053	10450	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
764.5816@13.372992	67623	1	23646	1	1	51837	25859	23644	38355	1	35461	31806	160713	1	1	1	208429	1	1	1	1	1	1	1	95516	59837	74067	49925	50113	21712	30425	28204	22365	36756	32144	20683	52193	42562	124413	119179	54257	1	24605	1	36200	37090	100441	54644	30288	1	58643	17987	100130	101317	53179	21786	40089	51172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
214.0515@0.93199944	770184	772499	803793	777637	706205	691103	785444	797694	793016	833600	727731	714087	719024	711049	564952	586428	819798	768733	704198	700405	633622	641789	691796	680733	747935	781786	622829	621963	674879	704228	547911	538215	524647	523046	535146	525283	548549	542089	444388	450642	554228	574007	475357	492455	423186	435745	425825	444063	497277	525672	457767	439556	529877	513824	574352	574823	629103	606966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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411.169@11.25	1	1	11066	16933	14541	1	16391	26573	15861	22696	1	1	1	1	1	1	1	1	1	1	1	21187	19832	21185	15599	25689	18181	19304	24320	23187	16820	14889	10300	22280	20110	16846	24620	26509	24289	18419	1	23360	19932	18274	13956	20811	15427	20643	16176	23637	22583	21306	25037	24194	23767	28520	20902	45792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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Bryostatin 1	9154	11653	11706	12935	11078	10199	8476	14564	13891	15496	10664	9661	15025	11533	8161	10389	12758	11716	10602	11357	10672	7704	11111	9973	10495	15057	10246	11603	10438	11836	7135	8184	9749	9384	12530	10112	9719	10574	14581	11106	11887	10966	10424	7171	8111	7372	9318	8299	8424	1	1	1	13351	9954	9913	7951	10674	13818	7453	8918	7919	9815	1	1	9581	11805	10673	12052	6812	11627	1	1	5836	6778	10129	11383	12760	7929	8935	9970	1	1	1	1	11707	9005	1	1	1	1	1	1	1	5328	1	1	1	1	11993	11838	5951	6103	7582	8484	8802	8529	10702	11623	8868	5529	9881	9261	7265	10311	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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786.4818@0.86700034	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7197	7714	1	6773	8364	6677	8205	7510	1	7382	7474	9147	7251	6501	6029	1	1	6779	8134	7667	1	1	1	6306	8369	9665	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.9299@0.8230006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7133	1	1	1	1	1	1	1	1	1	1	1	1	1	6383	1	7414	7310	6551	1	7289	7137	1	6238	6814	1	1	5955	1	1	1	1	1	1	1	1	1	1	6877	6079	1	6362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.9188@13.0499935	109554	79462	324737	256844	215610	1	102565	24812	173956	211884	113962	145768	149353	39447	108620	154575	249886	257337	227935	243918	139185	286219	1	263226	192754	64553	60991	147487	1	1	113956	1	27349	1	126410	233062	141802	148272	161534	130689	1	121852	54096	135067	72790	28019	57542	120001	93243	69178	125632	178893	180758	246987	476425	35087	128036	41656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
200.1407@8.071672	26211	25046	1	91299	1	1	12775	16965	26364	26526	1	42706	15780	11571	12707	16340	10271	75433	8471	1	11509	18720	8740	20650	1	13901	34121	39130	16334	30626	43474	31761	30154	21194	38398	36489	47565	44084	45017	53851	47587	46860	27320	44725	42757	47846	36175	38628	11948	1	1	1	48186	49236	1	1	22906	23548	1	1	1	1	1	1	1	1	1	1	1	1	122963	1	1	20929	1	1	140835	13421	19341	159469	1	1	1	1	1	1	33102	21120	32372	26733	1	1	1	1	85420	29936	1	1	15379	18235	22893	16739	19279	69233	1	1	1	1	1	1	1	27332	39610	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1289.6978@0.8440006	14504	18685	12001	15760	12691	15203	12032	15805	14243	17823	12930	15519	16285	14301	13475	13111	17505	14612	14740	13037	12835	13120	12029	14458	15613	16389	14855	16081	14413	11535	9108	6885	9746	12358	9246	6952	12210	8025	9594	8587	12453	9169	8252	9467	9293	7979	9334	9768	9208	7703	7904	5929	11031	7773	9925	9826	14238	8270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit null 0.84799963	1	1	1	1	6414	5667	1	1	1	1	1	1	1	8096	1	1	1	1	1	1	6929	7368	1	1	1	1	1	1	6407	1	7082	5571	7069	6503	1	5936	1	8220	7746	1	8094	7786	6628	6694	6892	6875	8516	7234	5486	5768	1	1	1	1	7255	6345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
230.0007@6.424998	108759	112382	102614	112269	104212	110043	105294	94837	99031	100534	119496	118299	108627	1	107083	108723	106131	109102	1	102264	101174	108159	100292	101368	99001	101238	101145	98651	100994	92204	106353	98882	99724	98921	102676	94541	100593	97509	103224	1	94338	95825	88840	93635	1	94387	96932	97326	101744	101740	76098	1	110113	112410	98297	110330	108188	114090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
395.2712@12.4400015	1	70077	77934	48710	1	1	1	55038	1	129508	78406	75367	65475	101877	1	1	46839	1	22423	50930	58521	1	1	1	1	1	1	1	1	1	98276	1	1	1	69628	1	1	1	1	1	1	1	1	1	1	66354	35771	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
380.1638@10.711998	67857	58581	86397	74142	30431	86744	114684	90090	43716	74114	23555	90216	44555	68179	58554	87844	65029	104806	118750	92794	125023	58073	90712	83295	85153	135351	39109	87784	99616	111823	129291	80004	73790	87836	45203	115256	101389	105217	46984	93514	78369	47118	84156	74855	124094	87912	113540	79938	69026	108463	118898	81873	73387	96609	118454	97306	124310	36678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
725.6771@0.861	20905	13801	22842	14182	14169	1	11588	21832	18477	20188	11635	12450	16491	18837	12320	12022	21554	14841	20252	20263	13324	9958	17434	15905	12506	14507	11542	13961	11943	15902	17446	11277	13209	18799	16265	16486	12234	17688	16173	11953	17412	8045	12998	11026	11102	9370	8243	12964	11623	9738	1	7263	11081	9626	15821	16260	16342	16778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
214.1576@10.213006	1	36302	35578	1	1	22250	1	67282	42438	67332	50521	38809	1	51235	31701	200011	39757	1	188489	175965	66754	1	49097	1	30200	26771	1	35801	38971	57883	45245	36227	62034	1	1	33283	1	1	38261	62066	67082	51768	1	33377	1	1	47367	48560	1	1	31452	54287	57861	1	32047	68227	1	24342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
409.9227@0.8330001	13774	16396	15594	16654	15332	14180	15217	14452	14374	16969	14162	13726	14652	15330	13395	13253	15348	16839	14508	17940	16794	12194	13847	12302	16957	19144	14180	16529	9610	15502	13381	12773	15499	13939	13305	13398	11205	15197	10565	9789	13705	11435	13164	14542	9222	10784	10817	15218	10092	11570	7772	7462	5688	11798	13811	13807	11373	11455	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1241.7112@0.8400001	10803	12381	9602	10046	14065	15292	8788	9163	13128	12857	14227	13596	11915	12730	13499	15075	11770	8805	15178	15804	14691	14667	8745	7622	15076	14399	10646	12410	12397	11455	11228	12054	11054	12180	11497	10423	11656	10989	12160	13372	14574	14868	8158	9756	8026	11017	12509	9960	10052	10732	9422	8051	12448	14374	12201	9258	13989	12059	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
890.4527@0.8692411	10873	8492	7664	9118	9012	7178	1	9754	9496	9733	7727	7723	9790	8923	5820	7532	8092	11060	9546	10378	6521	8025	6836	6810	6609	10123	8933	7998	7904	1	6184	8413	9214	9752	7048	6031	1	1	1	9176	1	10059	1	1	1	6878	8553	6917	1	1	1	1	6953	7750	1	1	8609	7776	6275	8342	5666	6233	1	5612	9385	1	8502	6600	8002	7103	1	1	1	1	7976	8897	9300	7395	6655	8003	1	1	1	1	6625	7398	1	1	1	1	1	1	1	1	1	1	1	1	9298	1	1	1	5780	1	1	6097	7238	7265	1	5752	5336	7307	1	7637	6128	1	5570	1	1	1	8162	8637	1	1	7664	8207	6206	1	7665	6991	1	1	6106	5653	5737	7226	6440	6253	1	1	8035	7119	6490	6404	7645	6152	6023	1	1	1	7524	1	5760	7439	1	1	1	1	1	1	6031	7775	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
516.1378@10.5390005	1	20710	26187	25245	23083	1	1	19337	25583	25357	27735	24469	24884	73069	23883	27683	23247	25369	23501	27860	25511	22500	26723	26633	22932	24774	1	26521	27423	26598	29895	28717	29727	1	28001	29575	10196	25015	28274	31033	28304	25379	28231	31252	32896	24397	30131	25760	27429	26562	32909	31938	29373	31417	30441	29108	27625	29346	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
733.3884@0.8339997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5504	6200	7150	1	1	6403	7629	7184	5567	5531	5939	6516	6395	6089	6189	6441	6923	6456	6478	8360	6083	7180	7504	1	7267	8026	6138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
659.7304@0.8639996	20588	17741	20605	25776	14459	21217	24014	19975	22926	20550	25547	18782	18988	24735	23234	19022	23924	25512	25033	14118	19157	15524	23183	20491	25310	22014	18052	24849	18677	18821	14883	9800	14204	16035	12019	17624	12826	13147	9923	12799	18408	15247	1	7156	11173	8398	10010	8023	7562	7195	1	1	13904	13137	8749	7932	20698	20225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1036.2902@0.8450003	8630	1	1	8644	11705	8906	8247	8235	9228	8048	11137	11343	10503	11353	7333	7563	9185	6523	9490	10166	9081	9935	1	7230	11560	11077	9369	8193	7787	8308	11626	9390	11980	11491	9918	8583	9242	10528	11902	10410	11017	12523	10394	11246	11297	8143	9987	9519	10592	9203	8719	8199	14051	11202	12515	11990	11023	12417	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
640.8361@0.8520003	1	1	1	1	1	1	1	1	1	1	1	7593	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5947	6938	5806	1	1	6101	5994	6280	1	7314	6268	7159	1	5484	1	1	1	1	6064	6830	1	1	1	1	5573	1	6608	7319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
127.9117@12.776998	35700	60806	12635	355483	1	148618	160613	1	173636	108553	108341	20422	1	1	1	46110	1	1	1	1	32348	14245	59578	17884	1	218912	1	1	48519	1	343837	197293	1	14155	45890	51996	1	1	1	1	1	141786	1	1	1	61348	1	34084	64250	1	1	616573	1	103335	607085	191092	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
765.8105@0.84600043	15371	13564	13509	13957	15910	9816	13237	7785	16412	17539	15822	18882	18432	14609	9961	14877	15456	10727	12235	15872	13768	12518	10004	14105	15848	14209	13969	15820	11764	14996	28400	27348	23061	24668	19496	23980	23293	25895	17754	23061	27767	25481	21759	21498	25166	22039	24303	23006	24201	24011	13459	11546	21641	19946	24362	24647	21184	21225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
181.9051@0.9459994	13403	17430	1	1	13944	19481	1	1	11420	1	8458	1	1	1	1	1	1	1	1	1	11927	12232	1	10897	1	11734	1	1	9926	1	31259	32239	27625	28463	29945	23855	26655	27962	25452	21459	28545	29522	27245	34468	27038	28582	23691	26200	26188	29121	32107	31345	28037	24744	38295	35366	31991	26781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
DL-2-hydroxy valeric acid	43020	33077	33623	36500	18742	14619	45849	42668	68939	47433	21018	28620	51214	40063	42699	29672	38938	43425	53486	71896	29233	48029	79396	69610	55669	29155	28755	49575	30504	64784	36363	38108	13996	32750	8066	1	28492	22707	44452	1	14233	47273	1	29820	13243	7493	31215	73952	1	1	1	1	18109	30607	1	1	57001	50282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
447.784@0.85900027	9853	10352	10447	1	10667	10009	7276	10908	13534	13101	14755	11754	12462	10096	13783	11127	10647	1	1	11161	12673	8531	1	1	11750	11556	12250	10202	9436	13901	6198	1	5754	6187	6279	1	7102	6702	1	6349	5747	8422	7030	1	7239	7387	6449	6460	6062	5734	1	1	7409	7595	1	1	7190	9703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
127.9119@12.893004	181317	130474	168546	159284	449480	362492	87038	373796	644057	174545	257100	23351	1	1	1	1	1	1	1	1	35497	58524	1	1	59991	235709	337844	253783	237142	262862	257523	356616	172812	354511	339489	58812	1	177285	1	179218	296923	147029	155645	320383	251913	96955	1	126260	77842	53962	230435	259600	212762	31749	1733685	189186	446545	126910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H7 N6 O6 null 0.8979997	1	15657	25565	26241	1	9477	18544	25824	22258	21036	10142	7964	12183	14712	10049	10921	19747	1	21639	17836	1	1	21207	26100	11821	11515	1	1	21973	20660	13483	13773	17073	16314	14609	13631	10979	10786	19229	17979	12387	14642	13322	13899	13064	12310	18122	18846	8028	7226	9476	8738	21146	16838	6460	6814	16835	17090	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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227.1524@9.416008	14359	16514	22529	23144	1	1	23168	17020	1	1	1	1	17088	21970	1	8656	16727	25899	1	21257	1	1	12599	27871	1	11869	18356	1	1	20754	1	1	1	1	1	1	1	1	1	1	1	7249	1	1	1	8249	1	1	1	1	1	1	1	1	1	1	12086	7161	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
598.2784@8.013	1	1	11436	13736	1	1	1	1	40989	37502	1	1	13358	13134	20210	19356	15838	16061	12262	11613	1	1	1	1	1	1	24981	1	25066	29350	1	1	30404	28392	47782	48101	55425	50144	86891	87248	47725	49333	32779	26200	1	28535	60137	61216	1	1	1	1	49411	50513	1	1	30039	28210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
369.9829@8.776	9225	9276	9319	8019	1	1	7528	8597	7956	1	1	1	7310	1	8632	1	10289	8337	8665	8101	1	7524	9220	9483	7418	1	1	1	8562	10051	1	1	1	1	1	1	1	1	10221	8825	9372	1	1	1	9030	1	7121	1	1	1	1	1	10779	10103	1	1	12232	12752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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402.2978@13.010992	39937	30020	16277	22234	14518	11421	14813	1	37930	21978	22967	24723	62728	21969	33159	18536	71519	1	17337	18504	1	24203	52222	1	51312	11632	13059	16110	18838	1	1	1	1	1	1	1	1	1	42774	38167	14964	6075	1	1	1	26774	33182	40768	19526	1	1	1	26160	28624	1	1	1	13822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1,4-Cyclohexanedione	28344	9119	18781	20569	10605	11246	1	15217	33607	26586	17701	12577	7523	34087	8632	7075	1	29757	1	1	15985	14141	1	37732	1	1	9177	1	1	33415	1	1	1	21996	1	1	17874	1	1	10929	25736	12132	1	1	22377	22930	12381	1	1	1	1	1	7143	20499	1	1	23503	31817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	41589	41517	1	1	37212	35305	7897	9583	20384	16130	33002	29774	1	9877	1	9722	13459	15273	30113	30241	26167	27534	19342	20890	21932	27988	8131	10011	17658	21139	27951	27038	17253	15382	11705	12051	1	1	15872	22679	13711	18167	9345	10211	25567	23336	15460	15691	26003	30633	1	1	1	1	14744	22028	15485	16633	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18554	24169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8430	9289	1	1	1	1	1	1
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494.3691@12.844991	11603	1	1	1	1	1	1	1	10904	1	14894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.8162@0.85100055	60314	55244	56364	58269	1	48022	60818	64197	56291	60817	46158	43004	49261	50181	48201	46200	61645	55293	53920	52635	44544	43731	63906	62470	45566	48712	50916	46486	62759	62642	1	51512	53066	58470	1	57282	59669	62276	1	51374	57595	1	1	1	53805	1	52077	1	61261	1	1	1	54422	1	1	66471	54424	61527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1831@12.481001	1	1	1	11103	1	1	1	1	13619	1	1	1	1	1	1	1	1	1	1	12585	12955	1	1	1	11091	1	1	1	1	1	1	1	1	1	1	1	1	1	16805	16154	1	1	1	1	1	1	1	1	1	1	1	1	28236	5258	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
313.1772@12.747005	1	9740	8706	1	9306	1	26354	1	18593	10148	32888	1	1	1	1	1	9029	1	1	1	1	1	25663	1	7082	8312	15008	42727	8747	19713	1	43342	13337	6479	26202	9171	18715	8330	27020	1	1	1	6557	24801	40702	30056	1	1	35872	21216	12489	1	10652	11933	12549	23718	24218	8837	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
58.0414@1.0890005	73384	61100	67552	74507	55224	55901	80684	68087	72264	76461	54915	61141	70659	60957	63735	65479	58115	61157	79520	60434	45218	52300	93836	94322	61865	60601	70154	70757	75714	69169	1	1	1	1	1	1	1	1	9367	11094	1	1	1	1	1	1	1	1	1	1	1	1	24292	14922	1	1	1	11298	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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327.1942@10.799994	43277	1	1	1	1	1	1	1	25934	1	1	13369	20814	15793	1	1	47472	1	1	1	1	1	1	1	1	19968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Di-n-propylphthalate	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14257	1	19382	1	1	19798	1	18416	17649	1	1	1	1	1	1	18699	19162	1	1	1	17347	17092	20653	16971	23964	1	1	16335	14892	18061	18564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21621	14506	19032	1	15128	18611	15397	17382	1	15630	17695	15376	17476	17136	14895	1	17524	15187	18222	1	25035	15259	18783	12675	1	1	1	13700	17209	19890	15259	18308	19769	18686	23825	18067	15157	16228	15765	14846	1	1	18473	14978	15409	1	17492	1	25045	21348	14083	1	1	13531	1	1	17065	15904	1	1	1	11992	1	1	28445	21840	19978	19248	16108	16419	18956	1	17945	1	18956	14260	13185	1	1	18660	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
316.0646@8.812996	1	6813	1	1	6441	1	1	1	1	1	1	1	7294	1	1	1	10125	1	7895	1	1	5941	1	1	7144	1	1	6424	1	1	1	1	8055	8870	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
104.0476@2.1488557	1	1	1	1	28968	1	1	1	1	1	1	15434	1	1	1	1	1	1	1	1	26159	1	64660	56159	1	38544	1	1	1	1	1	1	21396	28173	1	1	1	1	29965	33474	1	18050	1	1	1	1	20580	1	1	1	1	1	1	20953	1	1	1	30579	1	1	1	27051	71971	67246	1	1	1	1	1	1	33141	30339	1	1	1	1	1	15062	1	1	24613	1	1	1	1	1	129071	1	1	70849	19570	1	1	1	1	1	1	1	1	1	1	1	1	25797	1	1	1	1	1	1	1	20409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.2625@12.125	1	1	1	1	1	1	133383	1	1	1	1	1	1	1	1	1	36587	1	1	1	58345	1	1	109004	152612	138839	1	1	30586	1	1	1	1	1	1	1	1	1	1	1	1	1	20971	1	49281	1	1	1	1	1	1	1	58344	1	81817	50888	46073	43012	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
368.2522@12.310995	1	1	20447	1	1	37820	1	32286	64565	1	62361	1	1	21339	40482	27308	1	1	1	1	22554	1	1	1	1	1	1	1	1	1	1	1	1	87338	62630	1	1	1	1	1	1	31394	1	1	34821	73928	59236	1	33404	1	1	1	36051	1	1	1	39141	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.1254@7.695724	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	67025	1	1	1	1	1	1	1	1	1	1	49033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	118364	1	21632	1	1	1	1	1	1	1	1	1	86163	61445	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27979	1	68922	1	1	74756	1	1	1	1	1	1	1	1	1	16375	1	1	1	245690	68928	1	1	1	1	1	56551	152096	43390	1	1
490.3105@5.5320015	1	1	1	1	1	1	1	1	1	1	16436	11769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15660	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28186	11369	1	15933	1	29402	22210	1	1	1	1	19983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.9704@13.276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
145.999@8.092995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12850	10840	1	1	1	15503	1	11847	1	1	1	1	1	14688	18329	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1828@12.742003	170594	119596	20029	42909	25251	17128	8759	12691	63049	36306	42548	47766	44209	163138	81348	95393	179512	370916	50870	195724	133766	79859	62613	7432	28746	20111	27317	10527	16207	9188	1	8994	7420	1	1	6790	1	12226	49815	28979	5786	37706	1	7642	9306	8172	54012	19333	9394	9943	10129	7295	47766	21825	9175	8174	1	11179	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
237.1032@6.6650004	24285	30653	31173	21584	17476	1	11181	18358	35190	16140	15139	18486	25786	24044	30666	28445	33770	33896	25108	27496	1	14319	16878	15469	14810	15964	15990	11497	26152	12659	1	13101	13001	12786	10586	13859	9187	9336	15426	1	11186	1	8399	12199	16294	16683	16730	1	10445	14162	13551	9259	18297	19229	1	14141	13244	15773	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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197.0324@12.706991	1	18548	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	69484	1	1	17837	1	1	67136	1	56897	61369	1	89112	19141	1	1	15663	17222	79342	1	49666	1	1	1	31442	1	19978	25483	1	1	27550	53667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.1133@7.4519978	1	12494	29017	48031	1	1	54470	1	1	1	1	1	1	1	1	1	1	1	25990	30993	1	21218	1	1	1	1	1	1	1	207695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25821	1	1	1	1	1	15233	71512	81116	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
363.9162@0.8419994	1	1	1	8916	1	1	1	1	1	1	1	1	1	1	1	1	8171	1	1	1	1	1	10187	9284	1	7512	1	1	12934	8594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
137.0467@3.3999987	16073	14672	12612	17331	11320	1	16570	16456	1	14134	1	11783	1	13128	1	1	1	13619	1	1	31977	25361	19865	17472	23915	32954	28014	27641	17643	44318	1	1	24802	11725	19947	23907	14431	1	1	1	16462	21958	1	16335	1	1	12186	24355	1	18355	1	14906	45193	39263	19393	17735	35404	30662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.9369@2.872311	51713	1	25870	34250	19738	49876	47870	28208	19918	25412	20473	36498	35053	26732	35715	37426	38257	57726	37757	123838	42745	1	50818	47015	107550	39885	85658	51652	94776	26823	1	1	1	1	71314	1	33697	1	53181	38637	28734	57375	54523	1	29018	1	1	71685	37279	20968	1	1	80140	1	1	20178	67685	88727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
173.9654@12.979997	1	1	1	25151	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9913@12.960005	14814	42949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30350	1	1	1	1	1	1	1	1	44901	1	1	1	1	1	20509	1	1	1	1	1	29993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
111.9838@0.99399966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10316	8581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7554	7444	1	1	9980	9268	6484	1	8329	7718	1	1	1	1	1	1	1	1	1	7682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
690.6387@0.8709995	8537	11713	13191	7448	12738	12245	10895	7075	13976	15792	12418	9607	8989	14664	12457	8627	12965	11684	11389	11055	8843	10270	11882	9356	10848	11441	12014	13440	11081	8129	1	8561	1	7981	1	1	1	1	1	8800	10508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8678	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
221.9369@2.0579991	117201	111921	1	1	1	1	1	1	1	1	1	1	112464	227515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	136838	1	1	1	1	1	1	1	1	176697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
186.1258@8.737	1	1	48095	56050	56464	29952	1	1	1	1	59081	1	1	49246	1	29585	1	40084	53260	1	1	1	52687	56501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38023	1	37543	1	1	60774	42470	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
276.0469@1.5810008	356103	342783	258390	255980	214041	208606	167202	279777	367636	344620	102661	96854	89596	133165	80164	78153	177232	211106	82954	83455	68114	66585	67662	63672	79969	80373	111315	100155	146276	141789	1	1	13246	14736	18579	21023	1	1	14872	16730	19443	24688	1	1	1	1	1	1	1	1	1	1	29500	51165	1	1	41987	41079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H15 N3 O5	14713	16025	14726	13140	1	9889	16414	8615	11923	11618	1	1	1	11487	16928	14783	13921	14092	12835	11079	12069	11187	17154	15237	1	1	15305	14622	20581	19975	1	8837	7713	7621	22181	20550	1	1	9120	8915	1	1	1	1	9431	10186	9890	11242	1	1	1	1	11056	9403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
377.0933@0.94499975	10622	9498	1	6975	1	1	7452	1	8350	7664	1	1	7391	1	1	1	10838	7619	1	1	7491	8623	1	1	1	1	1	7453	8760	10969	1	1	1	1	1	1	1	1	11403	13410	1	1	1	1	1	1	1	1	1	1	1	1	9177	9148	1	1	1	7580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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422.2299@10.838995	27418	18890	10039	8829	10233	1	12198	9066	13368	10936	14902	13095	29587	21196	25445	19597	69609	22583	15319	14545	13548	19072	1	1	10496	8583	1	1	8785	9018	1	1	1	1	1	1	1	1	16824	16134	9855	1	1	1	1	1	12280	10519	1	1	1	1	13486	12159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
331.9682@13.133992	1	1	245196	20048	14876	1	1	1	1	194454	1	1	71060	1	136079	1	38286	1	72571	141157	1	33957	142997	116684	28334	16271	1	1	21640	1	1	79412	1	128179	112926	1	35622	1	1	1	1	1	1	1	1	1	138455	13599	25406	1	1	16382	79746	1	1	86763	76542	79691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
202.1429@1.0369996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7047	1	1	1	1	6611	6476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C6 H3 Cl2 N2 O3 S5	11614	8883	11650	13089	11573	8714	10676	12115	9252	9856	10627	9630	11501	12264	11243	8865	11721	14291	11829	11732	10079	9876	13501	13327	10440	12609	10212	9438	11847	10916	1	1	8185	9269	1	1	1	10572	7428	1	8770	8895	1	1	1	6588	7088	6958	1	1	1	1	8816	7574	1	1	9420	9091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
161.9613@3.0350022	1	1	1	1	1	1	1	1	1	18993	1	1	1	1	1	1	1	1	1	1	1	1	17960	1	17070	19859	14415	1	1	22172	1	15759	1	1	1	1	20342	12264	1	1	17513	24645	1	19613	13883	1	1	21156	16695	16819	21401	1	13838	16154	14851	14910	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
212.214@11.427001	1	1	1	1	1	1	1	51832	1	92438	1	1	1	1	1	1	67289	1	1	1	21063	1	1	1	1	54791	1	1	1	1	1	1	1	58526	76884	1	69352	1	1	76042	43242	1	1	1	27030	1	1	1	1	113822	1	80085	1	1	107650	138259	1	28230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.1268@6.4289956	30403	41280	16120	13292	11346	11861	14786	14002	1	13030	16814	12698	24817	21911	46486	41339	28421	25434	20832	20469	13998	19376	16652	21577	1	1	1	1	11763	12756	1	1	1	1	1	1	1	1	14843	1	14738	13775	1	1	1	1	12891	14942	1	1	1	1	18662	17568	1	1	17222	11501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
172.1149@7.641484	1	1	30353	17282	1	1	33298	1	1	1	1	1	1	1	1	1	1	1	25765	33439	1	1	1	1	1	61619	1	1	41908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19427	1	1	1	1	1	1	6496	1	1	1	24691	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33087	28877	1	1	1	37949	1	1	25559	38319	1	37616	1	1	1	38120	6418	1	1	1	1	53532	7495	1	5374	1	1	1	6635	1	1	1	1	1	1	1	1	1	1	12686	23127	38454	36441	1	38569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	54445	1	1	1	1	1	1	1	27812	1	1	1	1	43290	1	14461	60785	1	1	1	1	1	1	1	1	1	1	1	1	1	55372	10198	1	1
1289.7096@0.8400001	7385	7934	1	6476	7174	6741	1	7042	1	7747	6713	7742	6321	6639	6503	6385	1	7092	1	1	7609	7829	1	5788	9169	6556	7415	6182	1	1	1	5814	6314	1	6158	1	7134	1	5815	5955	7779	6508	1	6072	1	1	5651	1	1	1	5768	1	7552	5907	5928	1	8821	6951	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
136.0241@13.005004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	83279	1	5903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
750.5909@0.86934096	1	7659	1	1	6639	1	6920	1	1	1	1	1	10623	6897	6978	1	9365	1	6485	7158	1	1	1	6647	6578	1	9766	1	7597	7384	1	1	1	7497	1	1	1	7761	7339	1	8122	5626	1	1	1	7098	6970	7739	7094	1	1	1	6624	1	1	1	1	7571	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5943	6399	7798	1	1	1	6835	1	1	6751	6775	1	7985	6798	7180	1	7284	7022	9604	6183	6339	6491	1	1	7526	6504	6574	9782	8316	6136	7862	6547	5966	6159	1	1	1	9725	7615	1	1	1	1	1	1	1	1	6851	7303	7115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
163.9896@12.9240055	1	1	1	1	1	1	1	1	1	1	1	1	1	12002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
146.0941@5.3388815	1	1	1	384160	1	1	154635	155615	1	1	134542	62744	64713	1	1	1	303801	1	1	1	1	1	1	1	391541	403447	183645	432480	1	1	1	1	373647	58877	388099	1	1	1	68370	1	38958	71422	377831	1	1	1	1	1	1	1	1	1	1	1	1	1	49340	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	148006	1	1	62406	1	1	1	1	1	1	38099	39929	1	1	1	1	1	1	42912	1	1	1	1	1	1	1	1	1	1	190161	1	19571	1	1	1	160203	1	46172	65624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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621.9466@0.8400001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7067	8175	14637	16296	7107	1	1	1	6656	1	8551	7414	7685	7638	1	1	5834	6445	1	1	1	1	8587	8991	1	1	9461	8599	1	1	1	6902	1	1	5855	8196	1	1	12996	11422	1	1	16528	16755	6486	7057	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.1253@8.136001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7699	9380	8435	9107	14105	17914	1	1	1	1	8309	8574	1	1	1	8677	1	1	10324	12878	14514	11658	16067	8682	1	1	1	1	1	1	10459	1	1	7046	1	1	1	8583	1	1	20798	19096	1	1	18783	19414	1	1	1	1	1	1	1	1	17857	10070	18668	19969	1	1	1	1	11425	10509	1	1	1	1	1	1	1	1	6679	19026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18006	10017	1	1	1	1	1	1
817.5573@17.729994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	46887	45817	46929	49877	45410	49046	48996	47208	44207	47401	40300	45144	41190	37087	42370	41936	42340	40516	40587	37375	42690	39063	39809	41002	39019	37140	37218	30828	32908	33889	31901	36275	34393	29085	31700	33625	29967	26344	32389	31077	31092	32450	30330	31396	30481	31411	1	36897	38301	35275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
667.7736@0.8520005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13025	11074	13142	13278	6980	6525	10966	9327	13138	14722	13125	11844	10944	11362	11264	11324	11957	12716	11147	11147	13404	14378	14456	11448	14166	10643	12280	11774	13203	12323	13032	14994	12914	13262	15268	15475	13969	12305	12953	14385	1	1	14313	15334	8384	1	13350	12463	13034	13994	1	6050	6640	5388	5698	1	9123	8027	5910	1	5831	1	10659	10384	6632	5439	1	1	5928	6008	1	1	1	5662	1	6590	1	1	1	1	7194	5419	1	6232	8086	6255	1	1	10256	11096	5926	5742	1	1	6428	1
505.7502@0.8569998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8396	10099	8393	8133	6037	1	9914	9140	8552	6977	8651	7612	7896	8743	11260	11606	8713	10791	8300	8170	10638	9946	10398	10318	10353	8581	6252	6101	9360	10747	7252	9868	9375	7428	9058	9322	7554	10272	9188	10251	7163	6348	8046	7388	1	1	6120	8628	7592	7936	1	1	1	1	1	1	1	1	1	1	1	1	1	7867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5913	1	1	1	1	1	1	1	1	1	1	5509	1	1	1	1	1	1
649.562@0.86500055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10382	12463	12953	9423	1	1	12339	10030	13264	13461	11570	9440	9995	8038	10902	9700	13265	11649	9323	8791	10733	10483	8786	11048	10829	8373	10154	10186	9519	10493	9265	11604	12262	10826	14558	13341	12190	12226	13055	13027	1	1	16217	16499	1	1	9331	10117	14746	13047	1	1	6720	1	1	1	12086	11376	1	1	1	1	11914	9999	1	6657	1	1	6632	6674	1	1	1	1	5864	5825	1	1	1	1	7357	7123	1	1	1	7039	1	1	19023	17116	1	6310	1	1	6141	1
98.0373@11.674	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24230	1	1	1	1	1	1	1	1	1	1	96146	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
216.1723@10.281999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11354	1	1	1	9819	1	18205	1	1	1	6992	10189	1	1	16057	7653	1	1	15483	16697	1	1	1	14526	7776	10244	10579	14154	17029	1	14497	7375	17354	12954	1	1	1	12886	1	1	14572	1	1	1	19604	7508	12710	13402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
298.1413@5.816001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17022	1	1	1	21234	17592	1	1	18401	19941	22133	26210	1	1	23113	26627	27656	30819	24001	23573	14155	1	1	1	1	1	1	1	1	1	1	1	1	1	18354	12927	25365	18581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22658	24365	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PE(P-18:0/14:0)	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8852	1	6394	6427	1	1	1	8099	9251	7824	13812	10081	1	1	9159	7241	12785	11112	7903	1	1	8262	6206	1	1	8730	10139	9667	9428	1	1	1	1	1	1	7631	1	1	1	6234	14774	12184	1	1	9468	11723	9662	8487	14643	8767	9220	11321	10841	8293	7511	8690	10072	12059	9962	12194	1	1	7615	10837	10043	12108	9384	10032	12082	6639	8571	9380	9246	8130	8127	7883	7242	8678	12009	9034	7610	8851	7971	11470	12573	9363	12325	9099	9962	9780	12329	14163	9259	8686	11602	12138	1	1	12317	14931	1	1	8378	1	12464	11226	1	1	6967	1	1	1	12587	10746	1	1	6757	6915	12503	9027	6923	7080	1	1	6466	6516	1	1	1	1	7214	7014	1	1	6564	1	7213	7552	1	1	6237	1	1	1	13017	16458	1	1	1	1	1	6939
142.063@4.0010033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36946	37823	28261	27570	42891	33013	30374	31787	27211	17885	36050	35470	25287	19064	25565	46986	27658	24066	39225	33057	50430	37696	29561	40837	21245	33272	22975	23309	24683	31800	34522	37605	34116	24388	18368	13161	40125	24232	25309	38592	49017	48153	29055	20081	57762	46886	23028	21813	22941	28245	1	1	1	1	25315	37481	23859	22404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37042	31068	1	1	1	1	1	1	1	1	10400	19440	1	1	1	1	1	1	1	1	1	1	1	1
941.612@0.8870002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9655	13467	14728	16158	12582	15853	17559	16258	12110	17071	18990	14953	14379	13085	11332	10898	15754	16655	14288	12820	10436	11527	17836	14841	12432	13346	18481	17766	12353	11579	20946	16116	14627	14692	18874	20088	18511	14598	17075	12927	1	9118	10846	15478	13252	14652	11188	12249	12391	10375	1	1	1	1	1	1	11388	12437	1	8738	1	1	9672	8905	1	1	10296	8082	1	1	1	1	1	1	9582	9454	1	1	15085	10469	1	1	9257	10285	1	1	1	1	10312	10393	1	1	1	1	1	1
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C12 H16 N3 O13	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7802	8968	8671	1	1	11103	11292	10999	11127	10717	11489	1	1	8067	7435	12192	10457	10743	9239	1	10019	1	1	1	1	8978	8933	1	1	1	1	1	1	1	1	1	1	1	1	10678	9682	1	1	1	10105	1	9770	12684	11674	1	8181	8507	10061	13074	11651	1	1	1	1	1	1	1	7090	1	1	1	6746	1	1	6600	1	1	1	6166	6998	1	1	1	1	6277	6260	7166	6560	1	1	1	1	1	1	1	1	6106	1	1	1	1	1	1	1	1	6244	6266	6684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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168.1516@9.826998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	97294	1	1	1	1	1	1	1	1	1	1	1	1	1	30742	1	1	1	275656	1	1	261180	1	1	1	1	1	1	1	1	1	16967	1	1	97331	112811	35468	1	1	28757	159008	1	1	168787	1	1	199518	223817	236995	1	1	383934	91257	54881	2308203	75853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9828@12.927999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	72001	1	1	1	1	1	1	1	1	1	1	1	1	100127	54609	82039	1	1	1	35240	1	1	1	1	1	12654	1	1	1	1	1	1	1	45635	1	64041	1	1	21365	1	1	1	1	1	1	1	1	33157	7506	7449	1	28654	1	1	64521	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.1412@9.032999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9802	1	1	1	1	13860	1	1	1	1	1	1	1	1	1	65042	18565	13769	1	1	1	1	23118	13404	50319	18077	30099	23203	21198	20894	22937	18016	15273	67616	31089	22488	1	25241	26141	21503	22411	24371	1	29188	102810	21619	93577	26045	33242	1	95718	23818	1928894	28429	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
807.0419@12.173003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31528	36422	37705	21711	37948	125910	20179	1	17060	14740	1	1	1	1	13969	9613	7310	11309	1	12632	1	1	1	1	1	1	1	12574	14146	11879	1	20070	1	13567	13534	22823	1	13139	1	1	1	14332	1	1	13028	19721	1	12110	1	16735	1	12481	10434	16605	1	16360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
322.1279@5.0869994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26860	1	26127	27058	1	1	1	1	1	1	1	1	1	1	14412	16913	1	24673	1	1	22731	23129	1	1	1	1	1	1	26108	25082	1	1	56761	21247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
84.0573@1.3029997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22737	69675	76825	75506	69025	58244	51241	43048	38153	32234	23751	19370	17235	14080	11998	11558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15154	8675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9847@6.879999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64029	1	1	1	1	1	1	42276	40303	1	1	44980	1	1	1	19507	12003	1	19688	1	422785	1	46630	1	168315	1	1	90438	242568	1	1	87727	1	1	71619	1	1	1	1	1	1	1	1	1	1	1	1	1	15766	1	1	1	1	1	69182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N2 S3 nullnullnull 1.3275859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11510	40825	39922	10000	12421	23817	1	49586	34644	13344	15543	1	1	75124	165814	42319	34413	33328	23811	1	1	1	28643	1	1	1	1	1	1	1	1	1	1	75671	47128	1	1	1	1	1	1	1	1	30096	16032	1	61541	41421	32415	38492	31150	27499	1	1	54649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 13.2945385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	131829	42756	331268	66358	1	53405	86157	61348	33341	213796	207747	21572	30733	117138	55127	166090	66775	48186	80648	98716	65925	115750	1	1	1	1	24928	1	104514	112349	150669	1	35652	58508	73470	1	1	18857	1	184087	78968	57939	70888	1	81768	39693	1	39546	67842	39902	273572	80732	81858	324888	1	21776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
310.0279@1.3080001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23764	48096	54310	50778	36997	32097	29472	23426	27325	25472	8273	10072	8249	1	7254	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7014	1	1	1	7429	7621	1	6657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.9722@13.554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	445153	1	72082	1	35416	89122	1	1	71816	1	1	41009	45275	1	54423	43190	1	36764	300293	1	1	1	1	31753	1	1	1	37744	1	1	1	1	1	1	1	1	1	35810	53141	35626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9848@5.1640005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30964	1	1	1	1	1	1	1	1	1	61823	1	1	1	1	1	10791	1	1	9827	1	1	1	38142	1	1	1	1	1	1	34893	1	1	45923	20377	11383	8927	1	1	1	1	1	1	1	1	20014	1	1	11095	1	14384	1	23643	1	76181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
neoisomenthol nullnullnull 8.765002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56168	134983	19286	79044	1	40825	77523	1	145399	92876	20626	1	1	1	1	37143	150577	96730	63408	138882	137491	1	215967	1	167425	1	147797	1	1	29359	104464	86387	1	1	111782	1	194823	209963	1	1	67941	98183	144579	1	52005	234698	1	244927	1	1	186915	1	1	89186	2738542	186356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
179.9849@1.316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20629	1	1	1	22933	12095	1	1	1	20351	1	13870	20321	1	1	98266	26129	26999	32156	1	1	1	1	1	1	29755	1	1	6014	1	1	1	1	35096	36456	15221	1	1	1	19654	33549	31112	16781	1	1	1	28241	1	1	1	1	1	1	1	39454	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
240.9478@3.733	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34641	20885	1	1	1	1	1	1	1	28345	37034	13908	48336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	64246	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9829@7.0400004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28791	108950	1	1	9620	1	1	114169	61866	1	48335	47547	29000	1	1	9490	1	1	22771	1	196385	83674	34323	1	1	1	1	15147	1	1	1	1	124038	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17360	1	1	1	14544	1	1	64153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
140.047@5.098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20971	15078	1	1	1	1	1	1	1	1	1	1	15672	14909	1	18924	19223	19726	23243	21442	1	1	17625	1	1	1	19215	1	1	10482	30014	27687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.0963@14.061001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10322	38484	15186	13303	7374	10509	11316	1	17541	1	1	1	1	1	1	1	1	1	1	1	18464	1	1	1	1	1	1	1	1	1	1	1	47682	1	1	1	1	1	1	10887	17062	1	1	20303	1	1	1	1	1	1	22540	7349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
280.1309@7.486	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10333	12019	1	1	1	1	1	1	1	1	78462	10913	1	1	1	1	16337	17605	9864	13326	1	18193	1	1	11854	13106	1	9712	1	1	1	1	1	1	1	1	1	8179	11931	8304	1	1	37728	11684	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C25 H18 N16 O7 S nullnullnull 13.398002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19484	16760	34707	22511	36921	26776	25081	15756	26994	31560	21757	27069	39576	26221	12877	16112	1	1	14229	1	1	1	1	1	1	131746	31588	1	1	1	1	1	1	1	1	19067	1	1	1	31416	15312	1	17712	22225	25337	1	1	1	1	1	17015	12452	14311	1	1	22752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C12 H10 N2 O5 S4	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16337	15486	14495	17388	1	1	18723	11391	18158	15687	12983	13754	8293	1	13314	14327	13608	21261	20380	20057	1	9587	9122	1	1	1	14441	19020	8434	8115	1	1	1	9239	1	1	8635	1	1	1	13648	19279	1	9608	1	10723	6690	16233	23936	22701	13352	13977	19334	20211	17437	7260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Fampridine	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	61337	360062	52661	92207	39636	34908	118771	141646	25226	41190	64099	53870	47952	83208	40759	1	1	19322	1	37545	48281	46053	31597	1	1	1	51504	38945	89283	20608	1	1	27275	168111	32352	38820	1	1	1	10735	1	31560	30526	9273	1	29534	84496	32576	46984	1	24748	64963	1	36010	45862	44766	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
111.974@1.389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	49484	1	1	1	1	31961	33019	1	1	21417	45074	44192	1	1	1	30537	72535	19506	80724	24184	81634	25922	1	18491	45711	1	92678	72359	46618	1	1	62389	1	1	1	64025	1	1	99607	1	55715	1	81198	59653	98599	62537	1	167936	95882	84840	86103	83409	126141	1	34355	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.101996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50255	57936	47170	39318	119713	45223	38968	42842	53217	44463	34892	35211	31293	39012	19612	26030	18782	25593	23354	18123	1	1	12895	16375	1	11039	51360	54721	17432	22143	19187	22668	14750	20881	23103	21715	1	16392	1	19328	18719	24322	1	1	22208	18166	1	15756	19779	18749	10073	14604	24729	24644	1	20168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
917.6812@14.0440035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	87408	1	254234	48681	461516	1	1	1	1	1	1	1	1	136417	107515	149421	108092	60078	181736	91648	475561	1	86246	53036	100717	46002	1	1	1	1	1	158514	40012	27727	1	118674	256618	1	58570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
795.0582@12.056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	78212	84790	92024	94526	76902	81498	157276	86885	76768	85726	70703	86110	71191	77460	23596	39187	1	41849	42189	39529	33192	1	1	1	1	1	1	38666	1	21362	37590	33248	1	1	39280	21523	1	40573	1	38933	16682	42836	1	1	39056	35651	1	1	41611	34050	32034	36916	23744	38693	37076	38539	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
565.3065@12.895997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23987	22946	1	1	1	1	8825	9980	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13776	13001	10762	11872	1	1	1	1	20322	19310	1	1	22308	21308	1	1	1	1	1	1	1	1	1	1	1	1	16568	38418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9836@15.468123	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	58023	55463	1	1	65535	1	169109	592447	1	71159	329744	1	239598	112150	1	1	20263	22836	1	12413	182397	1	8059	1	1	1	172569	1	1	1	1	1	1	1	11143	39804	43855	1	1	1	541963	1	67630	1	1	1	1	1	1	1	329309	19983	299551	35728	1	282372	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
267.9609@0.7910001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8551	8818	1	1	1	1	1	1	7612	8851	1	1	1	1	1	1	12951	12639	9993	1	1	1	1	1	1	1	1	1	1	1	1	1	7683	7017	1	1	7712	1	1	1	8803	9619	1	1	8238	9016	9498	8640	15556	13714	1	1	8648	7984	11987	12130	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
560.9273@13.394003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74242	16637	85850	104734	39800	83379	18383	26696	1	1	1	12726	1	1	63536	88628	45363	21115	28379	1	78164	35026	1	1	1	1	13368	1	71853	43551	41893	68824	16283	11291	18414	14264	37858	139332	1	46716	66211	115162	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
507.9539@0.8390002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32613	32084	6872	7247	1	1	1	1	1	6783	23614	22957	1	1	13313	11782	12009	10929	14805	15304	11632	12892	15647	16215	16144	13956	20438	22699	14321	13372	15527	15983	1	1	1	1	1	1	1	1	1	1	1	1	16276	16221	14358	12085	15339	16472	20845	19096	22606	22862	11302	18537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.0317@5.2470007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36308	1	1	59644	56652	55080	1	1	1	1	1	1	1	1	1	1	1	1	1	39912	30465	23617	58783	31378	1	19257	18972	1	1	1	51547	57253	1	1	18622	45897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.984@13.272999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31791	1	1	1	111760	1	1	38769	110145	102731	60081	1	1	1	1	1	1	144161	1	87086	1	1	1	1	1	1	1	95320	1	1	1	51248	1	1	60333	1	1	1	1	1	1	1	140075	1	142871	1	1	1	1	1	1	1	127353	1	426906	122544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.1283@14.0599985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21771	18324	16082	22568	22564	24621	19213	29030	23698	26102	21823	26770	15325	28232	1	1	11488	23543	1	1	1	1	85692	52144	1	1	1	14599	13473	1	1	1	1	1	1	15214	1	20688	1	1	1	1	1	1	17444	1	1	1	1	24587	15419	1	11197	1	12679	15650	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
213.937@0.87999976	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25024	1	24567	16462	8464	1	1	33420	1	30604	1	12749	8928	32038	31446	32990	1	1	1	1	1	1	1	1	1	24268	23119	9737	9191	1	1	1	1	13153	10980	1	1	1	1	25338	23174	9191	1	17191	1	16327	16169	1	1	13184	13350	20587	21279	16915	17620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
315.8406@2.8209994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31155	53821	28300	31647	1	30275	42783	33247	1	1	1	1	1	1	1	65036	37350	35062	1	1	46044	45820	43872	1	31112	40819	38285	33418	54016	57511	22449	27360	43802	50736	1	60079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.0864@11.747867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	50649	1	45852	40442	40587	42124	43078	38759	56389	46035	47738	36022	42796	27369	18271	19935	15769	59187	1	20058	1	1	1	1	1	1	1	1	16858	19896	19397	1	14680	17488	23037	21704	1	17136	1	20734	1	1	1	1	1	25611	1	1	1	1	1	16545	1	51548	1	16073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C8 H2 N S2 nullnullnull 1.121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	51418	33196	33911	34965	1	59391	28801	18450	1	29061	22080	22921	1	1	64818	1	68190	129086	33312	36315	52033	1	5800	1	1	1	64930	1	1	1	1	1	1	43079	101376	45376	45445	1	1	1	70851	52467	42052	1	1	49184	38634	107086	99560	59492	1	115031	1	1	54013	61926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
302.0086@1.847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	88394	1	146256	1	118720	1	199552	1	1	1	1	164505	1	1	108038	358511	456707	112126	1	1	165745	1	1	1	1	1	1	1	1	1	306022	1	1	1	1	119746	79406	1	1	1	1	1	1	1	1	1	1	1	1	1	53987	1	1	1	1	208554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C5 H14 Cl N4 O3 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7027	1	1	1	1	13408	13928	13683	13641	12589	7223	8935	1	1	8437	9791	11636	10134	13515	13316	9252	10985	18399	30265	12187	1	6961	7030	29856	27088	22557	23531	1	1	6638	10210	20229	22155	1	1	20662	19185	18598	21066	8917	9956	12152	1	8018	7376	11650	9280	11490	11669	10967	12913	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
293.8153@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25846	22153	15716	1	17621	7252	8536	8618	17317	19157	1	1	1	1	1	22786	30082	18425	19860	21418	25957	24509	9719	19312	9475	11237	15700	13452	11204	15457	14511	1	13998	1	1	1	1	1	17488	17870	9483	11410	7965	16059	1	1	1	1	1	1	1	10641	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9847@13.098672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	135274	50268	1	20666	1	95913	1	126023	225828	80869	37157	65701	43720	102681	105969	1	76409	63686	1	1	62282	1	1	1	1	1	1	36374	58292	143879	1	175493	44422	1	55827	70307	64332	1	1	38326	1	213566	1	1	131337	191600	1	34509	32892	7506	7449	1	40070	40974	1	64555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.1033@10.949998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21683	15672	24227	9621	10010	9452	30039	29458	7434	30881	7065	20802	28672	9816	1	1	1	1	1	1	1	1	11383	19559	1	17228	1	1	1	1	1	1	1	1	1	1	7784	1	1	1	14331	18086	1	18312	1	1	1	1	1	1	1	1	1	18724	41662	18342	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
396.1173@6.695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19409	19985	8598	11757	1	1	1	1	16074	17607	1	1	1	1	1	1	1	1	1	1	13948	11661	9406	11060	1	8135	1	8755	1	1	14696	16592	13707	17110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
489.3259@13.386997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56528	41296	1	1	1	1	1	1	1	1	1	1	1	53864	48065	1	90791	20100	1	77584	1	95637	1	149964	150398	1	169520	13592	1	133958	1	51756	48570	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
827.3735@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8461	7605	1	1	7737	8414	8461	9799	11667	10599	1	1	1	1	8195	9963	7722	6790	5531	5884	1	1	1	1	11776	9944	1	1	1	1	1	1	1	1	1	1	1	1	7223	7332	1	1	1	1	6795	7046	8119	9529	6755	6154	7247	8240	1	6968	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
222.0907@7.225002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18761	20468	13518	15301	22258	20337	18029	1	20045	17763	17718	1	18558	23448	1	1	1	1	1	1	1	1	1	1	1	13382	1	1	20856	16520	16349	21622	14513	18873	1	1	20253	25207	1	15082	1	1	1	11382	1	1	1	16447	14070	1	1	1	1	1	127643	14468	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0470005 :113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37186	37224	28915	27324	29710	1	20422	14253	27621	24701	23487	23573	1	12657	16317	45090	33121	34809	23793	24152	1	33885	1	29694	15965	1	21088	18530	15609	1	1	18064	1	1	22679	24051	13263	18196	1	1	31875	35175	10990	11415	26392	26148	34274	28080	22596	31918	27764	25547	30784	11041	47068	22687	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
901.114@12.063003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31943	52157	65086	21999	26330	26878	21108	21177	16711	49529	23679	23056	1	26838	25187	1	36359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27762	1	1	24072	1	1	1	1	1	1	1	1	1	33774	15742	1	1	36220	37799	1	1	1	1	1	35965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.0962@13.404004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8255	28372	13240	16459	11552	36203	24187	15894	17645	11527	11761	11583	16369	14556	1	1	1	1	1	1	1	8011	1	61626	1	1	1	15265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21279	1	1	1	1	1	1	1	41853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
60.0217@1.5810397	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	200427	233167	1	1	1	1	1	1	1	1	1	1822961	21908	1	1460607	1033160	1	1	1858491	407780	1	1	1	90306	73519	1	1	1	256693	1	1	1	78322	167108	146068	1	1	119828	25293	1	115041	34585	48593	1	1	77140	129912	1	1	1	1	1849582	379307	1	1	19070	35314	125157	194222	1	30763	1	1	1	1	106033	31313	1	255333	222269	16521	1	1436609	1	1	19950	1	1	29893	1	1	56413	1	1	1	26823	69264	1	1	1	40640	1	1	1	1	1	1	1	1	1	1	1	1	238569	1	249928	66987	1	187126	98245	210518	172937	1	53924	211296	290685	1	149409	89488	85407	158187	74911	80484	301290	195290	145884	1	46080	72009	198974	309674	146009	1	74855	55755	79489	1	95504	120514	1	107074	146589	206541	107897	108386	1	287744	1	1
750.153@11.778003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34961	48839	90381	36540	29084	46700	32291	20820	32922	1	83737	27563	1	86913	18773	1	53557	1	1	1	60622	28501	46874	1	59576	57111	1	51571	1	1	1	1	45232	1	1	1	64458	1	1	1	63701	1	1	51943	1	1	68816	1	1	1	1	1	32290	36983	51726	73592	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
717.3836@10.785999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8682	11008	1	1	9009	11445	33948	36898	1	8259	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14497	15233	1	1	11890	15374	19278	1	1	1	9345	11284	9977	8937	8877	8331	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.11@7.8730006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14691	13954	1	1	1	1	1	1	12155	1	1	1	1	1	1	1	1	1	15865	17559	7359	14256	1	1	1	1	42360	43878	12562	14658	1	1	13180	13329	1	6176	1	1	17791	16968	15274	14766	1	1	1	1	1	1	16547	16547	10072	11949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.1049@11.238003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20646	18371	45179	12075	10702	9514	18424	33239	16792	27347	17227	11121	30268	51392	1	1	1	1	1	1	1	1	13951	40326	1	1	1	1	1	1	1	1	1	1	1	20880	24797	1	1	1	1	1	1	1	1	1	21005	1	1	1	1	1	1	1	42267	24845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 12.002007	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55620	49239	399326	74434	354341	26788	137423	384099	93555	56887	66073	82151	129418	29050	75126	70625	28775	49435	48615	28218	1	1	1	1	1	1	47513	1	78766	1	51293	122489	1	1	50956	32462	1	103606	1	128218	1	65250	1	41517	29052	72547	1	93267	69756	87074	1	1	61772	137066	1	14404	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
903.1035@12.372996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	74602	74069	72564	69411	83625	56812	66896	70677	45382	65291	69419	64624	69530	78414	28696	1	1	27148	19280	20201	21244	1	1	1	1	26372	1	1	1	1	1	1	27308	1	1	27751	1	22926	1	28030	25837	1	1	1	1	1	1	1	1	1	1	21957	24496	26709	36101	26819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.83699995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8453	1	1	1	1	7522	8703	9722	9714	12031	8601	1	1	18146	17555	22157	23970	13770	1	1	1	1	1	1	1	11878	9779	1	1	1	1	1	1	1	8092	1	1	1	1	24894	21068	1	1	15973	13622	14439	14380	28514	23043	16015	13000	17735	16733	19803	18385	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
163.99@14.041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	125849	1	1	55199	1	1	1	87329	1	1	50734	1	27354	1	1	1	67096	1	58114	1	1	1	1	1	18847	1	31973	1	1	55492	13794	23087	24367	1	1	14925	1	1	25935	1	52048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.1097@7.8730006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14691	13954	1	1	1	1	1	1	12155	1	1	1	1	1	1	1	1	1	15865	17559	7192	14256	1	1	1	1	42360	43878	12562	14658	1	1	13180	13329	1	6176	1	1	17791	16968	15274	14766	1	1	1	1	1	1	16547	16547	10072	11949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
115.0329@1.26	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25226	19556	18258	1	1	1	25553	28935	1	1	1	1	21002	19825	1	1	32184	1	1	34987	1	1	1	55189	1	1	32472	25564	1	17656	1	1	20041	25498	82894	80332	1	1	1	43846	1	72247	1	39785	47084	41842	31279	29606	28347	1	33230	1	1	33471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9908@13.406002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14114	1	115215	31495	1	123181	49811	1	13799	1	1	19931	1	1	1	72357	211125	71055	9125	41325	1	1	1	1	1	1	1	1	44876	1	41867	1	1	1	1	1	1	46468	1	1	1	1	1	1	1	1	1	1	1	1	20350	1	1	1	1	67885	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.9828@5.265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34233	30964	1	1	1	1	1	1	1	1	1	134505	1	1	1	1	1	21290	1	1	1	1	15479	1	18988	1	1	1	1	1	1	1	1	1	45452	47491	11383	10085	1	34177	1	1	1	1	1	1	1	1	9990	9924	1	1	1	24312	29200	9154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
618.887@13.406999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22814	1	1	22918	206139	22739	1	17897	1	1	1	1	1	1	1	73956	76026	1	71746	1	1	52363	1	1	1	1	134327	109821	1	67630	1	62868	1	1	101661	1	1	1	49176	143831	72992	85282	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-propionyl butyric acid nullnullnull 5.259362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84614	91098	99120	1	1	109911	79404	33326	1	82254	1	1	127824	1	92051	75388	66919	80341	166864	113285	138071	1	74080	150316	138395	41335	71669	136070	13027	85162	1	133865	1	45236	181331	77108	1	172083	48475	95922	120763	62657	94244	158721	159189	134608	152134	94244	146091	119508	155869	107034	118019	35843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8419996 :114	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6824	7826	6622	7703	1	1	7795	7709	7581	6607	8382	7235	1	1	11209	9936	11582	11621	9900	1	1	1	1	1	1	1	9300	10290	1	1	1	1	1	1	1	7972	8009	1	1	1	14778	15064	8116	7408	9453	7831	8204	9541	17645	14039	10479	10242	9035	10956	12659	8945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
344.9516@0.8630004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12851	12513	12171	16152	16053	12512	11698	1	1	1	1	22105	20906	1	1	13016	13617	14501	13141	11319	10802	17524	18469	15889	12327	1	1	17934	16904	12661	14377	15039	11610	1	1	1	16694	1	1	18000	15036	1	1	13298	7783	11423	7710	1	1	11192	11685	20244	18401	15524	16188	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C20 H12 N3 O12	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8683	8293	9470	10165	1	1	10838	11287	1	1	1	1	1	1	9043	7995	12865	12603	7954	6633	1	5971	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15806	15539	1	1	13595	12256	13419	12744	1	1	10872	10640	18515	18256	16125	14529	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
92.0374@1.5599997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14017	10896	17082	18135	1	1	1	1	1	1	1	18770	39482	36547	17925	19312	1	1	1	1	1	1	26763	27215	1	1	11230	1	1	15899	20690	18932	1	1	26542	26639	1	17398	10901	12011	1	1	1	1	1	1	1	1	1	1	1	1	1	12705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
461.8121@0.86099994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23553	19487	13983	15121	13093	1	22285	19072	15634	17180	20594	16894	18701	1	10739	10648	14154	16988	16049	28192	26090	20241	11386	1	1	15911	16442	12394	19970	1	11945	1	11876	1	10502	1	10035	1	1	1	15194	15803	1	13507	1	1	1	1	1	15504	14972	11049	13233	14363	1	17328	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.1352@14.061997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19782	10679	19455	18724	18351	14763	19853	21220	23307	18268	17645	18896	19251	17312	1	1	1	1	1	1	1	1	27038	1	1	1	1	1	1	1	1	1	1	1	1	16013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28947	15373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C33 H71 N7 O5 S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8141	1	10180	9840	1	8974	10026	10716	9504	10022	7725	9298	1	1	8327	8534	14985	15480	10070	7315	6025	6004	1	6911	1	6704	9220	11500	1	14491	1	10100	8630	8836	1	1	11236	1	1	1	12230	12536	1	6999	7287	12924	10227	8052	10352	13633	8850	10064	9754	9999	11361	9112	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6357	1	7419	1	1	13236	10792	11358	8783	13374	14168	1	6056	6698	1	16270	12177	8083	8233	1	1	1	1	1	1	12153	12190	1	1	1	1	1	1	1	1	1	7458	1	1	13490	12910	1	7842	7629	7041	10962	8322	18474	20025	7598	7197	10029	9302	7277	7265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.9995@6.473003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42874	46508	42403	1	44978	1	1	43782	1	43509	40333	1	1	1	50359	47727	45770	45883	1	43443	43098	1	1	47979	46281	46024	46736	44650	44572	47625	46213	45269	1	1	44698	58895	1	46233	1	43752	1	40514	42414	1	1	1	41405	1	38522	1	1	1	1	1	1	43460	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
837.0985@11.833995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27776	26910	32907	35198	24408	35182	30276	52097	30453	32337	46238	34402	31693	26099	21733	26902	17949	16101	41999	14797	22448	61686	1	1	1	76611	1	1	15446	13171	1	1	1	1	17462	19579	1	14543	1	20218	1	1	1	37089	72567	17022	1	1	17059	1	1	1	1	21814	1	17808	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
147.9458@1.0750003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	143178	94338	4656	83080	70150	68981	95090	81438	12595	78295	69956	58988	33104	135828	13022	9069	20105	53132	18442	1	1	1	1	1	1	1	1	5944	1	1	1	1	1	1	1	1	90748	232491	1	1	68042	249779	78336	1	1	5470	4582	83118	251032	260347	256709	1	8807	6127	1	12689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
317.8386@2.2529993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38946	142168	152224	1	1	35803	1	1	194841	168694	1	1	45495	96391	1	256040	210867	226463	182771	1	155240	150595	80723	1	1	1	136703	1	1	1	1	1	1	1	570325	1	62170	1	1	1	1	118332	69210	73179	1	1	95149	130124	170441	100952	1	86965	115743	1	1	114620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 11.998995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	115625	411350	380011	103091	26730	453649	37883	72708	92285	108113	163516	82868	62149	83769	26477	143841	162939	43772	47656	81083	1	1	1	1	1	1	1	85145	38043	85215	87780	127815	21758	123621	26155	20059	80798	139749	1	93421	36732	65861	1	1	81791	139233	1	1	155863	40699	1	83370	45928	83251	1	17072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
826.5167@0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10320	16037	15706	15602	7900	1	16829	18602	18243	15468	15568	16160	1	1	9001	7303	18081	16019	16172	12342	11683	11102	7220	1	1	1	18810	15469	1	1	6452	1	1	1	1	7475	1	1	1	1	16358	12763	1	6073	9438	9676	9696	13032	16297	17113	10661	11078	9886	12697	10238	14389	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1012.819@0.839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7626	7426	1	1	7636	6874	1	1	11007	12369	16970	17345	6704	1	1	1	1	1	1	1	1	7122	1	1	1	1	1	1	1	1	1	1	1	1	16493	13533	1	1	8633	7917	6929	7964	17671	19936	8051	9813	12611	8889	11188	7405	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
901.1103@12.050998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17220	13418	17051	24175	11345	13261	13588	13499	18097	12608	13621	14821	19897	15032	37326	1	34846	13731	1	1	1	1	1	1	1	1	1	1	1	1	1	23450	1	1	22820	1	1	1	1	13065	27653	1	1	1	1	16454	1	1	33373	34844	1	1	1	1	1	26055	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.1039@10.876004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8276	9322	28933	8754	33936	9135	30020	29318	7547	30368	7065	8765	24971	8806	7760	1	1	1	1	1	1	1	9944	19613	7876	1	1	1	1	1	1	1	1	1	1	1	6681	1	1	1	1	1	1	20809	1	1	1	1	1	1	1	1	1	18859	41644	18292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
260.9419@13.239002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	116960	136150	136632	124383	1	1	1	128801	1	104461	1	161479	1	1	1	1	1	171166	1	141975	212739	119145	103737	1	1	1	1	1	132167	1	135535	1	1	96285	1	1	1	1	144553	157967	1	107465	1	41194	165254	1	1	1	91169	1	123107	348550	215402	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.0398@1.6360004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	56921	173026	229221	238780	204605	172525	145515	130151	101497	75992	87832	73728	50833	44941	42758	37789	1	15857	16102	11764	1	1	1	1	1	1	1	1	14675	16605	19438	17378	23214	25100	25076	23395	24427	31005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8700001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12001	13305	14178	15285	5640	5773	18285	17251	14875	19046	19120	16989	1	1	7210	7189	17078	17364	14124	16773	11837	13283	1	5950	10293	8044	16716	14463	1	1	1	1	1	1	6260	7141	1	1	1	6392	17016	14684	9484	10251	13495	12983	14657	15356	15113	16823	14867	13394	16908	16270	14059	16595	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
623.0957@11.149001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43436	41296	37727	27309	30500	16274	15575	31978	41094	33033	13533	39498	18085	31079	1	1	1	17697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19975	1	1	1	1	1	1	1	1	1	1	1	1	22704	1	1	1	1	1	1	18598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
841.3576@0.8439999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7649	1	1	1	1	8566	7494	9673	8411	1	1	7839	9578	10256	11132	1	1	1	1	1	1	1	1	1	11033	1	1	1	1	1	1	1	1	1	1	1	1	9760	8243	8681	1	9409	7739	10661	9816	13610	10980	9611	11283	11878	7774	10468	11565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
700.3621@0.839	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6134	1	1	6781	6370	1	1	1	8863	7454	9486	9531	6515	1	1	1	1	1	1	1	1	6775	1	1	1	1	1	1	1	1	1	1	1	1	9763	9438	1	6515	6124	7958	7921	8835	9338	9732	8638	7490	8887	8939	10910	6860	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
721.0756@11.970999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	93968	45172	136684	115327	144465	111911	111831	206355	1	73740	62756	92851	83327	71495	1	37910	1	1	35264	40518	1	1	1	1	1	22065	1	1	1	1	1	1	31664	1	1	60888	1	38138	1	1	31684	37631	1	1	1	1	1	33701	1	1	1	37609	1	1	1	38547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
509.1257@0.9750002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6676	6540	1	1	1	1	6417	1	6204	1	1	1	1	1	1	1	7827	8090	11267	13846	1	1	1	1	1	1	1	1	1	1	8608	8526	1	8421	6499	7899	10483	7568	7885	8279	10182	9931	9003	9643	17306	9727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
295.9287@0.83699995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12683	13602	10651	1	1	1	13735	12918	1	9994	12365	12953	1	1	1	1	15835	12841	14801	10188	1	1	8331	1	1	1	11807	1	10966	11262	10417	1	1	1	1	1	1	1	1	1	17012	13472	10076	1	1	15607	15949	11065	16108	17533	1	13094	13358	12038	12246	13100	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.105@11.238003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20663	17139	45179	11995	11508	1	35581	37217	10879	39696	17227	11375	12286	51392	1	1	30704	1	1	1	1	1	13878	23464	1	1	1	1	1	1	1	1	1	1	1	20685	1	1	1	1	20807	1	1	1	1	1	1	1	1	1	1	1	1	1	40263	24819	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
637.9903@0.84199965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6945	1	7925	5982	1	1	7194	1	1	1	1	1	9965	11129	1	1	7431	6814	1	1	1	1	1	1	1	1	1	1	18832	20407	13877	14659	10660	13001	6699	6652	14135	11924	1	1	9567	9186	10439	10067	8065	7512	10201	9707	1	1	8283	8845	9481	8971	11019	11378	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.0956@13.401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18243	28417	12019	1	10300	19122	33433	15361	10480	11517	14211	11318	17608	13958	1	1	21617	1	1	1	1	9452	1	83838	1	1	1	26123	1	1	1	1	1	1	1	1	1	19630	1	1	1	1	39634	1	1	1	83933	1	1	1	1	28868	1	1	1	14510	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C18 H21 N6 O11	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8502	8297	7228	7881	1	1	7556	7744	8822	8918	9403	8332	1	1	7102	1	8063	9276	7950	9027	1	7666	1	1	1	1	9185	7798	1	1	1	1	1	1	1	1	1	1	1	1	8297	9057	1	7955	7836	8922	9291	9585	8659	7075	9477	8060	8992	9613	15265	9879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
381.7887@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6129	1	8159	1	8382	1	1	6397	7393	1	1	10419	1	1	1	1	1	7989	8420	8304	7964	7804	7803	8492	1	1	6074	1	5406	6999	6658	6155	1	1	7939	1	1	7211	1	1	1	1	1	5452	1	1	1	1	6956	6473	5543	1	1	5578	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
165.9628@1.0429999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42569	1	1	1	46067	44350	1	1	1	1	1	1	1	1	25982	35517	50517	60401	1	26328	38148	39851	1	39389	43748	42482	33318	1	40644	39810	1	44176	1	1	1	45515	1	63494	22243	60534	1	1	23911	1	1	1	64201	55978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1421.6891@0.8409998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7073	6509	6097	7064	10604	9887	5775	1	1	1	1	1	1	1	1	1	12160	9363	1	6050	1	1	1	1	1	1	1	1	7742	8365	1	1	1	7483	8672	8577	11398	11603	7173	5707	7700	6964	7344	8107	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86899984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9912	9020	10293	13352	6557	6209	13913	14757	13118	15787	14373	12658	5343	1	6707	6751	14948	12868	13425	13430	12332	11140	5908	1	7479	7604	15161	13168	1	1	1	1	1	1	1	1	1	1	1	1	14843	13147	1	7375	9909	8404	7834	9171	14307	15522	11291	9592	12854	13792	6147	11082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
140.0475@5.098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21137	17913	1	1	1	1	1	1	1	1	1	1	18977	16475	1	18364	19490	23313	23299	25935	1	1	20043	1	1	1	33278	1	1	16455	29291	37281	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1000.7966@0.8419996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7829	10464	8545	9102	1	1	7860	10225	12216	8607	10828	9020	1	8110	13810	12914	20077	17834	10310	1	1	1	1	1	1	1	9966	8599	1	9296	1	1	11358	1	1	1	1	1	1	1	18163	21385	9437	1	15536	13129	12674	13420	19975	24440	15738	11111	16954	14980	20274	14712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
130.9831@1.0419999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28009	21598	19763	13884	1	1	1	1	18987	1	19388	19902	1	1	18799	17258	20160	38720	29115	32998	20728	19114	1	1	1	1	8086	12829	1	1	1	1	1	1	40120	28001	1	1	1	1	14724	20981	1	1	16102	1	21800	15292	22488	26600	17712	20610	22752	21019	21197	15719	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.86700016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7028	8419	5401	8054	6112	1	11123	13496	10680	10146	13938	9295	1	1	1	5381	11583	9037	11484	11298	8070	8275	1	5640	1	1	10018	11607	1	1	1	1	1	1	1	1	1	1	1	1	7481	9292	1	1	7350	1	1	8107	11151	12900	1	5984	7233	8836	1	8648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C37 H15 N5 O12 nullnullnull 11.974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	109396	136456	82154	186784	26150	94947	41140	164495	153901	58392	62500	72008	65587	50768	30738	54429	101482	51935	42312	41245	1	1	1	1	1	32624	1	53534	1	27717	45906	32673	46459	50083	70766	77660	1	1	1	38730	24202	50391	1	1	28348	49682	1	30526	42482	30256	1	49494	30414	28764	1	35776	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.4924@0.8689999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7341	1	6193	1	6206	1	1	1	6646	6065	1	1	1	1	1	1	8472	10134	10981	12841	9228	12340	1	6664	6707	5691	8253	8374	1	1	1	1	1	1	1	1	6505	1	1	1	8411	9331	1	7100	9398	10206	8169	9156	10923	9714	7262	7425	10868	9079	9068	9362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
967.3094@0.8439999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5997	7468	1	1	1	1	1	6681	1	6585	6440	1	1	12836	7766	13728	9341	8227	1	1	1	1	1	1	1	8596	7625	1	1	1	1	1	1	9505	8666	8453	7857	1	10778	14939	16193	13595	10418	10176	10450	11842	13093	15393	19878	12858	12936	10948	10871	13052	13466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8710002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6675	1	8036	8185	1	1	11977	10811	11639	10267	12475	11475	1	1	5654	5660	12669	13446	13533	10018	9587	7831	1	1	1	1	11075	11052	1	1	1	1	1	1	1	1	1	1	1	1	11591	11819	1	1	8001	7649	6768	8056	16589	16376	8657	7559	6343	9550	8964	8736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
183.0529@3.3310003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18450	11531	1	21084	16564	1	17626	13312	12221	17454	17500	18443	16158	18121	13438	21098	13253	12586	14210	23731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 1.0460004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	39195	32493	31520	22732	21643	1	25956	25459	24852	25048	25370	26087	1	11657	41666	34215	38841	35986	36719	32665	33214	35957	9787	11722	21275	26439	28543	28930	1	1	14520	19673	1	1	1	24072	21770	18097	1	15544	40673	38049	23805	25884	28575	27964	33458	27595	30828	40455	34775	39392	36388	35061	34967	45470	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
133.999@6.4739995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42874	46508	42822	1	44978	1	1	43912	1	44124	40333	1	1	1	50359	47727	45770	46466	1	43443	43103	1	1	1	46281	46361	46736	44650	44830	47670	46213	45269	1	1	44967	58895	1	46233	1	43752	1	40514	42705	1	1	1	42258	1	38522	1	1	1	1	1	1	43460	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
656.7204@0.86400014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9637	1	1	8435	1	1	8906	1	1	1	10667	1	9951	8397	7203	1	1	1	7139	1	1	1	8941	7475	1	1	9497	1	1	1	9643	1	1	1	8031	1	6575	1	1	11835	1	10248	8862	10616	1	1	9452	7837	9484	8697	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
PS(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6825	6031	7978	7946	1	1	10684	12129	11691	12277	9589	10549	1	1	5789	1	9634	9713	10372	8678	7930	8709	1	1	1	1	10278	8093	1	1	1	1	1	1	1	1	1	1	1	1	9130	8594	1	6282	7125	6753	5668	7484	8884	10800	1	8127	6515	8292	1	5959	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C9 H5 N O S	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23200	22852	18285	18197	35632	33715	12321	13587	24576	25541	16513	16385	1	1	19705	23228	23650	23417	17938	9666	10872	19776	1	1	1	35224	1	12753	48796	60076	1	1	1	1	28727	21017	1	1	1	28370	26608	19847	43036	22906	31238	34131	19606	44760	19060	25811	32994	19729	32073	33334	1	21812	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
994.4597@0.8640002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9202	9377	1	7438	8626	8156	1	10623	8105	7400	1	6543	1	1	11419	12254	10219	8350	8468	5982	1	1	8464	9126	1	6659	7313	1	6430	1	6386	1	1	1	1	6445	1	1	8337	12729	8673	1	7021	7048	8227	8345	8811	7715	1	1	1	1	9543	11784	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 13.249201	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	220294	83633	157015	84597	1	38821	96072	156862	162669	169423	54685	150882	61475	92507	34103	139363	90414	60080	135107	74723	49132	45200	1	1	1	1	29548	67841	80562	91294	74246	94530	101031	134506	79824	142596	59270	37077	1	38315	82533	169708	1	1	62231	128872	1	29428	53594	22266	8650	1	72684	273880	1	141563	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
224.9845@13.389004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	102007	1	95218	1	1	88580	1	35913	113627	1	1	15055	101885	95697	117194	90934	155343	1	148232	97633	99703	1	1	1	1	127874	132169	139555	1	1	1	1	133538	1	167251	1	1	1	1	1	1	1	1	1	131068	1	1	1	1	1	1	1	1	1	222784	124349	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
705.9789@0.83699995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6782	1	1	1	1	1	7081	7570	1	1	7253	7993	7886	6881	1	1	5945	1	8795	9105	10450	8672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84600025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14581	16505	13433	12002	9382	9949	16689	15799	15215	10253	1	8569	8053	9863	1	6722	9610	12768	14828	9712	9783	1	1	1	1	10966	8827	1	13349	12978	10783	1	1	1	1	9293	1	1	1	14892	13135	18181	1	1	11051	17294	13873	16126	9816	1	9662	13325	15476	13754	16852	13607	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
<none> nullnullnull 0.868 :115	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8480	7534	10376	8865	1	1	9087	9751	8223	8000	11534	11903	1	5480	7357	6357	9655	7400	7207	7267	6066	6490	1	1	1	1	9948	9412	1	1	1	1	1	1	6114	1	1	1	1	1	9371	7785	1	1	8068	6347	6186	8241	8762	8672	7863	8875	1	8517	5944	9213	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
632.752@0.87600005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10402	13751	1	1	1	8687	10704	1	8745	8108	12926	1	7347	1	1	1	11560	14749	13807	1	1	1	1	1	1	1	11694	9598	1	1	1	1	1	1	1	1	1	1	1	1	8233	11460	7965	1	9591	8663	1	1	13493	11692	1	1	9476	1	10570	8383	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
282.9533@13.328002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	167807	266371	152578	62369	230799	1	187688	234508	260121	161660	179249	1	50140	1	104482	1	104374	128005	1	75853	91279	1	1	1	1	1	126370	143920	1	1	131064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	134760	1	107330	1	1	1	1	1	127451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
837.0981@11.834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25296	16165	16263	26727	30631	30310	37267	1	28862	29498	21979	25228	21520	24716	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15761	17894	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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70.0034@6.2959995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16051	1	16906	1	1	1	1	1	1	1	1	1	13688	1	1	1	1	1	1	1	1	1	1	22366	18765	1	1	56633	1	1	16722	1	55389	20700	1	1	1	1	1	1	1	18069	44568	15342	15514	1	1	62732	1	1	1	1	25945	1	1	45197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
397.7524@0.8630002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7482	1	6283	5597	1	1	9748	11571	1	9950	12302	9221	6474	1	5458	1	9175	9349	8249	1	7138	8387	1	1	1	1	9248	1	1	1	1	1	6009	1	1	1	1	1	1	1	7358	6797	1	1	5530	1	1	1	9351	11085	6572	5692	5848	6704	1	7998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
798.5128@0.868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5687	1	1	1	1	8076	6266	6138	8870	1	1	1	1	1	1	6980	7563	7004	1	1	1	1	1	1	6741	6201	8146	6176	7054	6509	1	1	6702	1	1	1	1	1	1	1	1	7986	7047	1	1	1	5876	1	9433	7279	6442	1	7310	1	6356	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
849.6423@0.859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6650	10089	6504	8690	8144	7210	1	9994	1	1	1	7027	9734	1	1	1	1	7383	8831	1	6839	9181	1	1	8709	1	1	1	7595	1	6140	6945	6405	1	1	6370	8297	1	9662	1	1	1	1	1	1	1	1	8256	1	1	1	1	1	1	7732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
480.756@0.87399995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6540	7192	1	5792	9191	8460	7160	7373	7761	1	1	1	1	1	8189	8477	5964	7820	7660	1	1	1	1	1	7136	7001	1	1	1	1	1	1	1	1	1	1	1	1	8492	5907	1	1	6196	1	1	6355	1	7878	1	1	6980	5764	1	6779	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C47 H95 O S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9208	10627	13152	13262	8753	1	12189	13568	11864	14518	11559	9796	7737	5835	6699	1	15545	11289	16664	14214	10436	10416	1	6728	11507	1	8618	11251	9896	1	1	5932	1	7538	1	1	1	5708	1	1	12791	11199	5999	1	8420	9580	9798	7589	11325	10898	10118	11130	14096	11320	12204	11087	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
736.8274@0.84600013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10750	12966	1	1	1	7874	1	14474	12927	11463	9900	10212	1	1	11690	1	9365	11720	11939	1	1	1	1	1	7024	1	1	8364	1	1	8501	1	1	1	1	1	8211	1	1	7032	11782	11638	1	1	1	11722	10124	1	8538	1	1	10569	10837	1	1	11288	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
709.0756@11.663318	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	55271	33014	46134	43103	41358	45476	44411	44254	46799	50204	56301	55727	43180	40645	1	23553	17266	21098	1	1	1	60497	1	1	1	1	1	1	20938	22299	7619	1	52931	17148	20660	18693	1	1	1	1	1	19012	1	18142	19664	22873	1	1	1	28985	1	1	1	19828	1	22987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
546.1029@11.213999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12006	11844	10801	7910	45912	12375	47719	25687	35957	48353	23668	6843	43733	9183	18979	26921	25488	9084	1	1	1	7195	9852	23979	1	1	1	1	1	1	1	1	1	1	1	19826	20621	21124	1	26853	24407	1	29233	1	1	1	1	1	1	1	1	1	1	1	46899	26984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
278.9989@0.95899975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13475	16593	1	1	17003	14372	15584	15618	14358	13901	1	8761	1	1	16699	13529	15192	13565	11928	9633	1	1	1	1	14221	13779	1	1	1	1	7496	8799	1	1	1	1	1	1	13267	15501	1	1	1	14262	14129	8917	16843	19495	1	12843	1	13884	7720	9257	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
529.6574@0.8630003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12052	12162	11833	10420	6389	1	14283	13960	15652	15665	17450	18329	1	1	10258	12714	19452	18075	12302	12323	9240	10457	6565	1	6285	6361	14092	14150	1	1	1	1	1	1	1	1	1	1	1	5895	15570	15059	6998	7766	11086	12785	11644	11489	20968	20894	13025	11503	11820	12193	10451	12623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.8689999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9471	9186	6678	1	5443	8513	6912	6924	6254	1	1	1	1	1	1	7653	7282	6773	7940	8726	10509	6823	1	7145	7382	1	6289	1	1	1	1	1	1	1	1	1	1	1	1	11014	1	1	7262	9350	9161	6986	6232	7768	1	8150	6996	1	7511	8016	8001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
899.3264@0.84199965	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6920	1	1	1	1	1	1	1	7112	7648	1	1	10104	9365	10366	9794	1	1	1	1	1	1	1	1	6233	1	11775	11061	6664	1	1	5865	1	7638	6397	1	1	8681	11475	8910	6696	6281	8866	6723	9829	8928	9897	10415	8385	10778	9237	8691	12617	9823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
848.679@0.86499983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7966	8059	1	1	1	1	1	1	1	1	1	1	1	1	8402	1	9104	7916	6473	1	8583	1	1	1	9290	6457	8913	1	1	1	1	1	1	1	7062	6651	1	1	7233	1	1	1	8044	1	1	1	1	1	1	6933	7847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
686.5975@0.8729999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6778	7888	6603	7870	6474	5654	1	1	1	1	6584	6510	1	7844	7133	1	1	1	6459	7058	7619	1	1	1	1	1	1	1	1	1	5712	1	6353	6468	6198	1	1	6462	1	1	6187	1	1	6285	6370	6864	6142	1	7357	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
4-propionyl butyric acid nullnullnull 5.2311764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	95577	72509	76236	1	1	109328	83277	78549	1	41850	1	1	163318	1	93612	101582	1	86350	134488	154452	121318	83151	73060	137236	117930	150493	101630	146675	56012	128152	106641	133533	1	43623	166146	131144	1	179614	174300	126281	129065	72080	29563	126497	89963	149663	123820	171956	141142	12921	183407	82110	53966	182000	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
736.8338@0.8430003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12435	14053	10550	11498	1	1	11909	12608	12319	14156	11616	10212	1	1	10486	13964	13087	14964	12513	1	1	1	1	1	7422	1	8051	8702	1	1	7087	1	1	1	1	1	7228	1	1	7887	12406	15564	1	1	15155	15306	1	12293	1	9556	12150	14511	20101	14164	11999	12993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1042.3068@0.84199995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8415	1	1	1	1	1	1	8402	1	1	1	8055	8066	9826	9068	1	1	1	1	1	1	1	1	1	7492	1	1	1	1	1	1	1	6346	1	1	1	1	10296	8298	1	7567	9016	6783	8411	1	10058	11801	8576	9310	9255	7272	12481	9418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.868 :117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9452	11411	7515	8036	5503	1	13071	9881	12050	12174	9401	8665	1	1	8305	1	11027	10853	11602	12344	8885	12731	1	1	1	6532	13189	9969	1	1	1	1	1	1	1	1	1	1	1	1	13697	6395	1	1	8771	8645	8318	8316	11488	10555	7560	8555	6806	9854	1	9676	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
334.0721@1.3120002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9994	1	15561	15081	1	1	1	1	1	1	1	13519	7906	1	1	1	1	1	1	1	7091	1	1	1	1	1	1	7988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
773.0879@11.7420025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45065	60029	41115	48062	39582	53358	35734	19463	55192	46879	47597	43508	1	45594	1	23403	25029	1	1	19887	1	1	1	1	1	1	1	1	1	18344	23343	1	18122	1	21090	22614	1	1	1	20499	1	1	1	14628	1	1	1	1	17510	1	1	19399	20156	21875	1	19491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
169.9562@0.8970001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10705	11248	11405	10420	13280	18128	13824	12882	1	1	1	1	1	11926	1	1	1	1	1	1	13655	1	1	1	1	1	11754	11814	1	1	1	1	12020	10606	14123	12414	1	1	1	10139	8914	11310	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
575.7111@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7768	7059	1	5894	6328	7332	6493	7671	6100	6944	5860	1	1	1	1	1	1	6068	1	6832	9380	8560	7893	6605	7960	7515	1	1	5811	1	1	1	1	1	1	1	1	1	1	1	1	1	5442	5840	1	1	5676	6387	1	1	1	5430	1	5606	6171	6422	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1035.592@0.86499983	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12607	1	1	1	10816	11935	1	11050	12510	1	1	13279	12250	1	1	12853	13403	11850	12305	8309	11283	1	8832	11585	1	9194	1	13454	12698	12644	8942	14403	11181	1	1	1	8430	1	12445	12753	12464	10808	1	1	10437	10096	11641	15349	13435	1	1	9772	12789	13961	15218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
299.971@0.7959998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7499	8188	1	1	9572	8686	1	1	6639	1	1	1	8930	7129	1	1	1	1	1	6955	1	1	1	1	1	1	1	1	7107	8380	1	7461	8296	8225	1	1	1	1	1	9093	1	1	1	1	1	1	1	1	14715	14782	7533	7850	1	9265	1	11905	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
661.7527@0.8520001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10495	15777	1	1	1	1	1	1	19236	17897	1	1	1	1	1	1	8072	11426	7324	1	15168	7537	1	1	1	15552	1	10549	13502	1	1	6766	11509	1	1	12660	1	1	8474	1	9076	9321	1	1	1	1	1	8525	1	1	1	5850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
837.0957@11.830997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	29038	29821	30395	38310	29594	30032	32707	1	32466	35421	26226	32580	24356	32003	21918	19729	1	15084	1	1	1	1	1	1	1	1	1	1	15876	1	1	1	1	1	14336	17537	1	13040	1	1	1	21367	1	17166	1	17495	1	1	20757	1	1	1	1	1	1	17934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
535.9067@0.8419997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7876	7072	1	8320	1	11742	10455	12256	13506	1	1	11536	12094	17202	16021	10380	1	1	1	1	1	1	1	10577	12847	1	1	1	1	1	1	1	1	1	1	1	1	15251	12233	1	1	9154	8091	10657	9514	22384	20446	10418	7884	11074	11993	17638	10727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C10 H15 N O2 S2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7660	1	1	1	1	17365	13928	13683	13641	12589	7223	8935	1	1	8437	9476	11636	10134	13515	13316	9252	11422	27088	30265	11293	15720	6961	7030	17924	20744	22081	23531	1	20274	6638	11579	1	22153	1	1	20662	19437	22363	21066	8917	9956	12082	1	8018	7376	11465	9579	11490	11483	10967	12598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
885.6478@0.88500017	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8583	11987	1	1	1	1	11711	9436	10754	8931	10085	9353	1	1	1	1	11025	14463	10295	8459	1	1	1	1	7590	7964	1	6915	1	1	1	1	1	1	1	1	1	1	1	1	8383	13848	1	8278	7003	8658	9461	11788	13568	13609	1	1	10671	11153	12916	10023	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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888.5384@13.503999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	108895	17701	49780	1	8527	1	1	15585	1	1	74872	13733	15872	20265	1	96073	64080	14541	64237	15421	11391	13855	84810	34934	19158	11865	10889	12205	13103	10302	11303	12272	10206	31332	1	14702	11800	15862	32277	39285	23894	9915	18821	23754
993.3971@4.5650005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22679	21651	15701	17209	19948	19569	1	1	8826	9328	1	1	1	1	1	1	8355	8817	17547	21224	1	1	6656	6607	9367	11342	1	1	9702	11309	1	1	1	1	15397	12645	8840	8226	1	1	14782	16291
154.0622@4.2589993	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18410	14676	1	1	1	1	12177	1	1	1	1	1	37026	1	1	1	1	45961	7672	1	1	1	1	1	1	1	16098	14417	1	1	1	43468	1	1	1	1	1	1	1	1	1	12803	1	1	1	1	1	1	1	1	1	1	1	27599	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57458	7368	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
422.231@10.211999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24863	24699	1	1	1	1	1	1	1	1	1	1	14774	16525	12561	1	1	1	1	1	22586	21746	1	1	20579	13005	1	1	1	12449	1	1	16877	12482	1	1	19583	17649
312.1922@9.0339985	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23847	19977	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16073	18439	8944	12509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7724	8597	1	1	13501	14647	1	1	1	1	1	1	1	1	1	1	13556	11457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11078	10467	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10624	13445	1	1	1	1	1	1
120.0421@1.5680006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19070	35314	128208	189215	1	1	1	1	1	1	77436	31313	1	255333	222269	16521	1	67591	1	1	23361	1	1	1	1	1	56890	108868	124553	1	26823	124660	1	1	1	44049	1	1	113429	1	1	1	22273	1	1	1	1	1	238569	1	249928	66172	65531	197412	136321	210518	1	1	53924	202164	290685	1	149409	153181	85407	155613	77223	80484	301290	195905	127553	1	46080	71199	240224	320435	167686	1	74855	74819	1	1	95504	120514	1	111115	146589	206541	99517	103903	1	288884	1	1
977.401@5.3239994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9248	9454	8428	8215	1	1	1	1	1	1	1	1	21352	21170	1	1	1	1	6693	6275	9612	8689	6780	1	1	1	10295	8498	9748	10452	8057	8308	7726	7862	11340	11824	1	7226	1	1	9094	8547	13777	13536	1	1
294.217@10.719001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19158	1	1	1	1	1	1	1	1	1	1	1	1	23442	19566	1	1	1	1	18921	17793	1	1	1	15084	1	1	1	1	1	1	13897	1	1	1	1	1
C23 H34 N13 O3 nullnullnull 1.6150001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6759	7218	1	1	23636	21808	1	1	16757	12869	1	1	1	1	1	1	1	13149	36472	41688	1	1	15462	14282	25957	26895	1	1	28347	23839	1	1	1	14943	1	1	15047	14835	14211	16174	28181	28417
326.1921@10.821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	77386	1	1	1	1	41641	1	1	1	1	1	30955	1	1	1	1	1	1	1	1	1	69136	1	1	1	1	1	1	1	1	40128	1	25269	1	29995
707.3241@4.0489984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8287	1	10288	9866	13363	13337	13129	15011	1	1	13317	13436	1	1	1	1	1	1	8183	6482	12409	14209	1	1	1	1	18963	19943	1	6699	15393	14267	6807	6364	1	1	9969	9336	12738	12292	11249	8475	19480	21653
358.1183@8.108001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10675	1	1	1	1	1	9457	9196	13341	10488	1	1	1	1	1	1	13605	11682	1	1	11572	12143	10878	18376	18609	20220	1	1	1	1	1	1	1	1	1	1	12878	17083	1	1	11997	13590	1	1	1	1	1	1	1	1	15275	13724	15365	16491	8260	9777	1	1	8951	11748	1	1	1	1	1	1	11210	11166	13806	14536	1	1	8717	7447	7474	1	1	1	6916	1	1	1	1	1	8309	7664	1	1	7094	7820	1	1
193.0744@5.5899982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32161	21800	1	1	13532	14161	1	1	1	1	10673	20314	1	12016	24034	20054	26027	17270	1	1	31525	23397	20820	1	14324	19329	49441	29816	1	43057	1	1	1	1	10144	31533	1	1	1	1	1	1	31535	15608	1	1
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264.1369@9.096	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18017	14483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13449	1	1	1	23852	1	1	1	1	1	1	1	12304	31202	24277	1	1	1	1	1	1	1	1	1	1	1	1	1	15074	1	1	17868	1	1	1	1	1
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159.9852@1.6170001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15183	18994	19049	1	1	1	21730	11587	1	19661	21922	1	1	1	1	1	1	20949	1	1	12926	16535	1	1	1	1	1	25356	18965	1	1	1	1	19453	1	1	1	1	1	1	16193	1	19562	1	1	1	24540	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
431.0197@5.1569996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14752	16665	17907	18394	9521	8095	10000	8922	9949	10825	8763	7763	7277	1	1	1	7423	7108	1	1	13040	11544	1	1	1	1	7281	7236	1	1	1	1	7439	7688	1	1	7081	8246	1	7024	10217	10026	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
191.9356@1.0860001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84589	243109	240569	80257	193973	218387	196668	74325	68783	87865	1	258789	186640	189892	61720	1	71428	87717	1	1	1	213590	1	1	212365	1	70703	1	124210	1	178230	124113	1	188745	1	1	1	144446	1	1	251246	101345	242800	1	259849	91795	1	210741	278747	1	1	183020	77334	105120	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.0402@11.941	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	37600	24621	29666	27315	15780	19341	27008	21451	33980	31947	21993	26127	30630	25973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
549.5627@0.8600002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7870	7420	1	10065	6326	1	1	1	1	6388	1	10321	8382	1	1	7321	1	1	1	1	1	10106	8173	7741	6765	1	1	8404	8776	6935	8868	9727	7847	6972	1	8922	6079	1	9364	6781	7692	8177	6945	7685	7265	7113	8498	7173	1	7292	1	1	6988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
623.0981@11.157999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9037	10669	1	24382	46860	6100	5413	17972	31471	20451	25234	12298	6880	29381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13216	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
273.0995@7.063002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53087	55974	112871	122213	55713	55249	54870	53928	48635	50163	61838	63788	190675	176521	120720	102465	1	89603	82339	1	1	1	1	1	382562	380961	1	1	1	1	202014	1	1	1	104913	1	1	1	1	1	1	1	152579	1	1	1	1	1	113940	1	1	1	1	215504	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
903.09@1.1809999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8842	7578	1	1	1	1	1	1	13837	12620	1	1	1	1	1	1	1	1	7110	7278	1	1	1	1	14141	12280	11753	10387	8494	9562	1	1	11877	10563	1	1	1	1	7406	6124	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
763.1154@11.753999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	79551	90394	41797	47268	78344	46896	40233	46350	27516	42672	33766	49924	25065	26365	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
> limit nullnullnull 0.84700006 :118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8778	9966	8022	1	10065	11126	11462	11122	11400	11995	6995	8924	1	1	6408	1	9174	11311	10505	7326	1	6811	1	1	1	1	1	7852	1	1	1	1	1	7731	1	9270	8753	9063	1	1	9063	12542	9232	10947	1	11740	11406	9484	1	1	11721	9326	10349	10371	12250	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
881.143@12.0529995	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17794	19355	12534	36542	15868	19333	19105	18135	19129	18641	14392	35319	16803	16752	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
352.1964@8.705001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13698	14369	1	13489	13544	11925	10729	11684	10627	14465	12363	1	15410	12727	15941	7779	10652	12753	9805	8737	12251	7614	1	1	1	1	1	1	1	9143	12386	1	1	8568	1	1	1	13145	1	1	1	1	1	1	7959	8029	1	1	10032	1	1	1	1	7970	46408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
610.1161@13.408	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9573	17693	11610	11532	15982	21425	24975	1	8926	12418	8386	18463	25701	8626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
817.1317@11.992001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28301	23137	21515	20128	25759	25983	25023	25783	39065	22149	27065	35828	25204	41402	1	1	12020	17029	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15325	1	1	1	1	1	1	1	1	1	1	1	12278	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
627.4905@0.8640001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8568	1	1	1	6483	1	1	8663	9646	1	1	1	1	1	1	1	1	7244	1	6865	9260	1	1	10308	9676	10953	1	9415	11505	1	1	9252	9198	1	10308	1	1	1	9382	7182	1	1	1	1	1	6218	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
181.9194@0.8079999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9212	8771	1	7772	10818	9398	9129	8095	9050	7344	7782	1	14089	14428	1	1	8057	1	8726	14309	10497	9580	1	1	8321	7854	7291	1	8522	8382	1	1	1	7235	1	1	1	6613	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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135.0544@1.4440001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20878	31958	9966	1	31258	1	9016	9779	7695	18195	16747	9055	76223	82614	1	1	1	25646	1	1	1	1	1	50346	92731	95577	1	1	128290	123560	1	66923	1	1	1	1	1	1	1	1	1	1	34297	25844	1	1	1	1	1	1	1	1	1	1	20016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
467.1636@4.885001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13723	11675	9378	10522	8630	10103	8613	10720	1	9017	1	8831	1	8245	8780	1	9160	8654	8355	1	8350	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	38726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
806.9919@1.3419998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52774	56658	235027	53433	233116	1	19761	1	47991	43412	89927	43672	277892	53044	1	1	1	1	1	1	45523	62527	1	1	1	62679	1	1	1	1	1	1	1	57580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
979.985@13.291	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42818	1	1	56834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	158292	1	1	1	1	1	1	1	1	1	23437	184362	1	35377	216682	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid nullnullnull 4.136001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	52621	1	85960	88529	1	1	91226	91738	1	1	47643	91015	121096	82516	114670	96675	122102	111863	167054	98484	156391	292341	152630	342465	346816	411682	1	221576	111763	1	171496	117051	139769	1	80018	99560	1	232448	1	231566	1	136928	248872	1	201345	108090	135570	166497	104626	1	238347	244271	131145	213945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
558.1043@13.673003	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25060	1	1	1	1	1	1	1	34303	1	1	20570	1	1	34825	1	1	27524	1	1	1	17818	104396	159538	43709	1	1	23726	12938	1	1	30235	1	1	12963	19196	1	1	1	24161	15139	1	1	28198	1	1	1	1	32943	35925	1	11026	1	15951	46265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
216.8753@0.861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13248	14124	8672	5970	8725	1	10536	1	7624	7545	1	1	10940	9435	1	1	1	1	1	1	1	15323	1	1	1	1	1	1	1	1	1	1	1	1	7031	1	1	10581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
135.0547@1.4510001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21172	31698	23097	1	31132	1	9016	10433	7695	18511	18551	9055	77329	81967	1	1	1	25561	1	1	1	1	1	50346	96110	96206	1	1	128140	123371	1	1	1	1	1	1	1	1	1	1	1	1	33979	25848	1	1	1	1	1	1	1	1	1	1	20016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
144.0788@5.2402225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	84399	1	1	1	80683	1	1	138116	1	85986	107364	1	138575	1	1	1	1	79924	90358	121545	83744	1	145604	1	118303	1	109759	1	98795	127382	128802	1	90559	1	110829	111507	1	1	103326	1	143797	160956	1	144597	95549	71951	112272	21476	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
175.9605@0.882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34965	1	1	29471	1	14916	1376358	1	947138	1	1	30291	44262	14816	27464	1403679	1394734	1	1	1	1	1	1	13316	14815	1	1	1	33814	1	1	1	11894	1	1	1	1	1	39010	1	1	1	32327	24870	26997	31050	48273	37249	42062	1	10528	38568	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
258.8839@0.934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13000	10808	6989	7568	7452	6776	1	7599	1	1	1	1	8843	1	1	1	1	1	1	1	8343	15575	1	1	1	1	10522	11362	1	1	9707	8083	1	1	11342	9520	1	9337	1	8180	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
214.0229@6.9150004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	112986	183534	1	175784	1	151245	1	1	1	128105	1	1	1	1	1	1	128998	1	1	1	145720	1	142568	1	1	1	1	1	132184	62859	1	123894	123814	135830	140697	1	1	407769	1	1	208845	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.9385@2.8659997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	57565	69890	56480	1	51477	1	1	1	1	1	1	1	61746	78656	1	56663	89055	1	1	1	1	1	1	1	1	88667	1	1	1	1	1	38873	64866	1	132034	1	83947	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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