metabolite_formula_retentiontime	20210224_061_A01_Con_2h-pos	20210224_085_B01_Con_2h-pos	20210224_087_F01_Con_2h-pos	20210225_113_J06_Con_2h-pos	20210226_181_D01_Con_2h-pos	20210227_223_G01_Con_2h-pos	20210228_255_D06_Con_2h-pos	20210228_279_I01_Con_2h-pos	20210228_281_H01_Con_2h-pos	20210301_305_J01_Con_2h-pos	20210301_309_E01_Con_2h-pos	20210224_055_H06_Con_6h-pos	20210224_063_E06_Con_6h-pos	20210224_075_F06_Con_6h-pos	20210225_101_A06_Con_6h-pos	20210225_103_C06_Con_6h-pos	20210226_145_B06_Con_6h-pos	20210226_175_C01_Con_6h-pos	20210228_259_G06_Con_6h-pos	20210228_265_I06_Con_6h-pos	20210224_083_A11_Con_24h-pos	20210225_097_E11_Con_24h-pos	20210225_133_J11_Con_24h-pos	20210225_135_C11_Con_24h-pos	20210226_171_F11_Con_24h-pos	20210226_179_I11_Con_24h-pos	20210227_231_D11_Con_24h-pos	20210228_251_H11_Con_24h-pos	20210228_267_G11_Con_24h-pos	20210228_271_B11_Con_24h-pos	20210224_073_F02_H2O2_2h-pos	20210225_119_I02_H2O2_2h-pos	20210225_123_G02_H2O2_2h-pos	20210226_161_B02_H2O2_2h-pos	20210227_233_A02_H2O2_2h-pos	20210228_243_J07_H2O2_2h-pos	20210228_249_E02_H2O2_2h-pos	20210301_295_D02_H2O2_2h-pos	20210301_297_H02_H2O2_2h-pos	20210301_299_D07_H2O2_2h-pos	20210301_311_J02_H2O2_2h-pos	20210224_059_F07_H2O2_6h-pos	20210224_079_C07_H2O2_6h-pos	20210226_149_C02_H2O2_6h-pos	20210227_203_A07_H2O2_6h-pos	20210301_307_E07_H2O2_6h-pos	20210224_051_I05_HOBr_2h-pos	20210224_065_J05_HOBr_2h-pos	20210224_067_J10_HOBr_2h-pos	20210225_109_D05_HOBr_2h-pos	20210226_163_B05_HOBr_2h-pos	20210226_185_D10_HOBr_2h-pos	20210227_197_A05_HOBr_2h-pos	20210227_209_G05_HOBr_2h-pos	20210227_219_E05_HOBr_2h-pos	20210227_229_H05_HOBr_2h-pos	20210228_245_F05_HOBr_2h-pos	20210225_127_C10_HOBr_6h-pos	20210225_131_C05_HOBr_6h-pos	20210226_147_F10_HOBr_6h-pos	20210226_167_I10_HOBr_6h-pos	20210227_207_B10_HOBr_6h-pos	20210227_221_A10_HOBr_6h-pos	20210228_263_E10_HOBr_6h-pos	20210228_273_H10_HOBr_6h-pos	20210225_099_F03_HOCl_2h-pos	20210225_105_H03_HOCl_2h-pos	20210225_121_D03_HOCl_2h-pos	20210226_155_I03_HOCl_2h-pos	20210226_173_G03_HOCl_2h-pos	20210227_201_B03_HOCl_2h-pos	20210227_205_J03_HOCl_2h-pos	20210227_211_D08_HOCl_2h-pos	20210227_225_A03_HOCl_2h-pos	20210228_275_J08_HOCl_2h-pos	20210301_301_E03_HOCl_2h-pos	20210224_049_G08_HOCl_6h-pos	20210224_071_I08_HOCl_6h-pos	20210224_077_H08_HOCl_6h-pos	20210225_111_F08_HOCl_6h-pos	20210225_129_C03_HOCl_6h-pos	20210227_195_E08_HOCl_6h-pos	20210228_241_B08_HOCl_6h-pos	20210228_257_C08_HOCl_6h-pos	20210224_057_D04_HOSCN_2h-pos	20210224_081_B04_HOSCN_2h-pos	20210226_151_E04_HOSCN_2h-pos	20210226_153_F04_HOSCN_2h-pos	20210227_193_G04_HOSCN_2h-pos	20210227_217_D09_HOSCN_2h-pos	20210228_247_J04_HOSCN_2h-pos	20210228_253_J09_HOSCN_2h-pos	20210228_269_A04_HOSCN_2h-pos	20210301_289_I04_HOSCN_2h-pos	20210301_303_H04_HOSCN_2h-pos	20210224_089_C09_HOSCN_6h-pos	20210225_125_B09_HOSCN_6h-pos	20210226_159_I09_HOSCN_6h-pos	20210226_169_G09_HOSCN_6h-pos	20210226_183_C04_HOSCN_6h-pos	20210227_215_H09_HOSCN_6h-pos	20210228_277_E09_HOSCN_6h-pos	20210224_053_E12_HOSCN_24h-pos	20210225_107_C12_HOSCN_24h-pos	20210225_115_F12_HOSCN_24h-pos	20210225_137_B12_HOSCN_24h-pos	20210226_157_D12_HOSCN_24h-pos	20210226_177_A12_HOSCN_24h-pos	20210227_199_I12_HOSCN_24h-pos	20210227_227_H12_HOSCN_24h-pos	20210301_291_J12_HOSCN_24h-pos	20210301_293_G12_HOSCN_24h-pos	20210224_045_blank-pos	20210224_047_QC-pos	20210224_069_QC-pos	20210224_091_QC-pos	20210225_093_blank-pos	20210225_095_QC-pos	20210225_117_QC-pos	20210225_139_QC-pos	20210226_141_blank-pos	20210226_143_QC-pos	20210226_165_QC-pos	20210226_187_QC-pos	20210227_189_blank-pos	20210227_191_QC-pos	20210227_213_QC-pos	20210227_235_QC-pos	20210228_237_blank-pos	20210228_239_QC-pos	20210228_261_QC-pos	20210228_283_QC-pos	20210301_285_blank-pos	20210301_287_QC-pos	20210301_313_QC-pos
"(2Z)-4-[(1R,2S,8R,19S)-12-Hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11,1
5-pentaen-19-yl]-2-methyl-2-butenoic acid_C38 H44 O8_2.209"	2254060.45	1723399.25	1053324.731	1200155.722	646541.3926	1321215.485	695819.0228	1619384.495	95343.98308	853545.5694	1056023.027	1077036.191	690758.1287	540651.2654	1016661.558	499526.0104	917710.9188	343730.0289	747445.8104	922859.3971	75379.04814	79587.46634	75994.78722	94300.73209	69767.24567	32588.99427	49224.48234	28030.22097	230787.1465	61459.76179	886338.6107	1629032.462	1061572.05	1328234.37	1544335.382	1034432.615	876694.1121	1066268.534	1688526.389	774274.5679	1218750.068	768883.0791	1434285.626	586067.8559	1896603.856	704164.5832	1479266.119	880094.7561	871051.2338	1032196.383	1459657.68	1274855.898	1812586.395	1195355.648	1132379.402	1404252.259	1229534.72	687928.4578	744649.795	597604.765	922375.0969	858910.2619	1273013.74	615602.6077	1569129.098	535435.6206	1442855.018	947153.0841	2039093.874	969410.5788	1264792.293	840558.8119	832800.9091	2194620.7	917130.6324	875022.013	645222.8423	1292830.037	1380531.563	541600.1384	582813.0667	782365.045	836918.044	736617.7469	933620.317	1241068.99	569049.9644	1008698.076	811454.1	741561.6803	875764.3125	1142660.427	1067827.018	722728.3811	1504649.532	634446.6917	639577.3541	804352.1597	709077.4181	628538.6601	1141291.87	827530.3996	92979.09494	35534.66118	55778.4629	126002.0735	39701.04321	91529.89635	39454.5148	33875.51035	23779.51316	23207.66301	9509.95121	944656.2561	913596.3881	665178.0218	10127.69065	716811.7837	904527.2254	881565.5821	7767.334827	917154.2201	486531.8775	946881.243	7413.897407	1120830.655	791579.9591	1031982.435	8006.112513	781985.7362	679516.9051	758272.8461	6690.400395	877086.8538	916220.6776
"(3Z,5E,9E,17E,19E)-1,7,15-Trihydroxy-4,6,10,16,22,28-hexamethyl-13-[(4E)-6,7,9,11-tetrahydroxy-4,10-dimethyl-4-tridecen-2-yl]-12,29-dioxabicyclo[23.3.1]nonacosa-3,5,9,17,19-pentaene-8,11,23-trione_C40 H82 N2 O12 P2_2.185"	123673263.8	107404262.3	77797073.35	75768780.32	50228229.12	73751081.83	62166632.55	86901140.57	119391253.3	62831820.36	58583803.33	143241108.2	95335476.39	70105198.2	134144766.4	82831739.15	121506355.1	86980177.3	87960295.06	121627460.5	57313150.64	27851081.29	32590052.7	31113887.95	25194961.88	43293811.19	30595808.86	51608067.76	37570868.95	40941953.84	50784395.71	94407585.59	58736236.26	96639216.73	103152271.3	78975242.74	56144778.16	68200297.97	89764989.8	56974069.8	61376457.12	77238822.13	126616960.7	91067126.74	75671776.35	68862143.44	103412293	82646257.35	66608717.95	66598424.08	111688317.8	70626605.03	116846748.1	70375678.05	72098755.02	104255836.2	20543099.54	84043147.12	83574913.28	78925898.34	108578290.2	113714686.1	147402815.8	88871594.71	108770456.8	46307422.16	101175636.7	57955941.9	82990455.46	69685644.86	88966843.25	64552668.46	55322813.42	115439301.7	73331691.5	63551552.92	73199131.43	112879147.6	149623541.7	64033875.52	83764468.11	76369506.3	108735768.9	82702773.49	59522498.07	91949162.86	64077132.09	63704030.14	70349144.24	58430753.8	72863218.82	67679911.89	108030344.8	75920857.94	104813662.9	77812491.96	108468044.4	108394899.3	92090700.54	83853744.62	119994541.9	66877471.28	33160115.37	32826604.34	26930527.18	50521565.24	30723977.58	72197476.39	54970221.63	50691989.91	28939150.23	31857808.1	20482.42841	81836001.42	75176923.7	77694089.25	54237.7045	73497562.03	74990554.36	84795209.55	47271.16557	86845961.36	77270860.69	82926385.59	34440.25593	74399351.36	81366147.15	85497639.63	46356.71403	35177411	101607499.9	95781107.36	28146.60946	70867348.24	71764179.37
"(7R)-7-{[(9Z)-9-Hexadecenoyloxy]methyl}-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosan-1-aminium 4-oxide_C44 H87 N O8 P_2.11"	4408830.715	3802179.388	6304718.055	2728378.338	3406386.155	4921245.374	4655779.627	3793607.223	3203758.611	6103796.681	6521693.178	2373482.266	5708910.938	3468075.68	5994435.398	6200548.393	4587897.668	4714967.29	5876370.063	3452357.42	2939771.04	5546836.325	5253327.009	3440778.261	4674540.064	3547010.697	5420215.439	4680239.166	9319986.809	6727016.627	4297914.227	6038925.951	5784834.289	4693876.433	5080949.12	6794999.472	7045459.359	4361796.058	5261552.53	4125075.702	6817208.846	8202460.074	2072861.598	3888258.1	2183295.283	6201497.794	4883199.505	4070302.17	7654045.87	7121698.154	5365952.43	3096383.892	5616896.905	7750581.061	5462558.582	5198651.739	4720053.396	5181460.976	5226427.322	5844963.171	3231697.855	4101216.484	5525659.44	8825069.543	5618372.373	4171547.634	2777741.755	3507218.702	3788922.287	6108523.761	5573118.804	4858496.501	2168130.341	2895130.324	6657176.953	6102353.33	4183198.274	3743461.873	2788769.038	4091131.994	4010530.828	5898115.784	5270828.469	4552051.251	3642752.41	3648431.103	4807131.905	5989671.459	6580367.824	4237723.921	6917432.224	5857206.173	4909823.047	4291503.364	6244689.693	2713443.541	5830122.077	3913616.518	5614157.85	3129328.266	3326157.522	5179710.768	5022771.807	7621940.166	5005532.471	7063846.761	6380188.486	5725380.132	8460313.459	7568003.344	9630135.226	10060076.01	18633.71272	3869162.438	3691194.559	3942042.512	15541.16022	4418201.637	3578865.344	4117657.205	12493.19743	4346862.146	4003257.623	4990030.321	14773.56086	2849960.352	3774454.864	3841180.624	25400.20855	3659124.865	3781303.289	4862123.746	33055.65931	3753066.502	3769191.313
"(7R,13Z,16Z,19Z,22Z)-7-[(Hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphaoctacosa-13,16,19,22-tetraen-1-aminium 4-oxide_C44 H83 N O7 P_2.112"	4072410.127	4157839.622	4859588.496	1876454.815	3470402.894	2638951.066	3713764.974	2777694.391	3584585.57	3702452.162	3097312.801	2608162.313	4732424.581	3712381.028	3910227.128	4223896.83	3723209.944	5246196.734	2363269.78	2543386.291	3329755.353	2307143.489	2255566.179	2399328.001	2928775.352	1902000.152	2526635.849	2238240.495	2914185.373	3417013.947	3313226.516	3843387.51	2876578.186	5025821.662	3120472.916	2918078.114	3443555.657	3398726.957	3028036.706	3134005.268	3037309.375	5497556.369	3142044.219	3536416.55	1743842.795	3104261.122	3132597.665	3028688.014	6761825.909	4654182.202	4042944.084	3678171.61	4087223.214	3053784.202	3700610.949	3808021.525	3626394.066	3135041.914	3779450.956	4153972.141	2928036.096	3657184.914	3928915.619	4338009.418	2799242.313	2622947.967	3269462.358	3408303.917	2977908.54	2466175.439	4147165.916	2268004.85	2996836.976	3953593.99	3647836.067	2685704.35	2302307.34	2994212.683	3598368.275	3916829.412	3563657.933	3836586.397	3882098.607	3595268.216	3005199.094	4543991.593	3458528.404	3948018.638	3351016.011	3164735.739	3109781.228	2361704.902	3808006.531	2346644.194	3678200.121	2921248.368	4313143.313	2751584.523	3292101.381	3240614.347	2970520.438	3209466.762	2427249.601	4582090.626	2443477.084	3262263.201	2259966.952	3301113.313	2683710.913	2526773.56	1534942.857	2465527.446	17149.94149	3247462.539	3279083.744	2691647.78	15681.95125	2799275.184	3006758.588	3859267.827	12341.12317	3325308.839	3346064.534	3199837.77	13930.97287	2313825.968	2844720.92	3123186.378	21132.0556	3403328.182	3035505.883	4077631.141	26092.01386	2747139.218	2743987.843
(9Z)-1-(4-Morpholinyl)-9-octadecen-1-one_C22 H41 N O2_1.94	68097.47911	145152.2146	304282.6777	53549.27621	153144.7551	175354.9865	91619.67239	51884.12217	53325.34979	39762.2141	181269.5895	123022.0193	97307.97798	69881.43444	406344.096	78695.67059	59290.07264	389964.1929	43425.16291	89670.55796	107003.2267	78811.38115	89300.31604	59099.92448	60263.05286	39157.88615	67329.72409	57617.40091	446745.1163	99765.42429	225558.9959	84555.11411	272187.5508	87142.41074	68430.2669	84487.25902	167055.7113	57153.60342	34150.72004	79736.18231	79656.14748	481805.2658	158729.7705	394709.5002	47476.49273	135399.5613	70018.91075	118706.3566	46011.66495	144474.9417	55100.63732	242868.8367	58425.79014	201493.751	880523.5229	58900.07831	156026.1956	188616.9277	126147.8623	129115.4707	45505.70841	315755.9578	88348.69494	2503800.53	36569.70346	239272.9268	383424.1258	68022.5965	94402.92666	128298.6371	54487.63757	43846.89662	156356.2056	57812.14375	164246.0208	57528.87709	49564.57492	216915.5214	155948.2399	144359.3622	101733.5022	477085.0196	40175.99011	170802.823	45984.66557	115782.5364	224998.4428	549931.217	117143.8418	204469.2454	80971.08517	35177.04335	106991.4141	37196.7095	101912.1858	377739.9653	185890.4599	54397.70109	88004.02976	188474.9962	221619.8834	190784.8921	434140.9077	314160.4794	48002.78098	61373.35241	122329.3817	49470.75287	156516.8495	64036.35287	42089.57781	119332.4802	71821.15992	232208.0092	102865.187	293580.8994	159682.8943	238341.2882	172153.3405	262024.5652	238616.7715	166499.0651	292805.8265	268369.212	225362.8348	212684.4999	213427.3876	251744.9412	179914.5978	214846.5229	274615.9716	255497.3118	174239.5967	213845.304	228317.5659
[FA(16:2)]N-hexadecyl-ethanolamine_C18 H37 N O2_3.46	1008001.673	1485160.734	1834026.593	714067.2543	1153212.135	924394.2511	1280089.873	874912.8893	1979575.94	1070994.468	1204144.61	1027496.143	1567060.16	1079663.279	1075491.759	949698.9682	1007148.022	1037072.486	766615.887	640677.8286	1767129.972	928935.0221	1758743.975	1594664.301	1578337.375	1225403.032	1384478.349	1147225.323	1512268.313	1177670.674	802201.8296	907012.2753	724137.1416	1595228.053	805855.1409	709559.9378	833031.9808	973316.523	1151329.26	731267.5097	832928.0227	315085.5299	295525.0249	285239.0751	115664.0354	167079.2313	1104306.662	903489.347	795217.3219	1334943.215	1169722.677	917422.9466	1094703.641	969668.6273	1245925.583	1238383.491	1011421.833	471720.7387	765109.6664	772301.7839	501437.6421	551678.7747	529523.7579	615123.2503	626938.3455	858666.9825	1494987.063	1336369.91	1325158.304	1143698.946	1236799.113	878831.5514	922883.6261	1189114.164	1073247.707	1139473.142	445962.001	1046864.871	804790.3194	838245.3822	1058822.204	699276.861	656959.4248	1264819.781	1362700.459	1378339.699	1194533.34	1561706.342	994598.2977	1007825.545	10159.26811	851833.0796	2807792.236	804217.5377	1402202.731	1018976.115	1208795.83	865417.3324	1202955.565	993831.626	1076504.52	1849159.702	652417.1152	979412.9454	1019374.028	1061702.126	911099.0589	1232772.63	577515.4026	840092.7997	1088579.869	516150.5254	85250.52021	1024376.359	1082600.256	963153.0557	82901.3234	963337.2938	1171148.31	1136597.559	8273.130784	884260.1629	939378.3652	1218855.302	8105.820339	924929.2915	1077225.277	1076604.708	13898.22131	941449.1788	1009106.883	1237332.315	55401.8028	844999.0817	1042147.44
[ST(2:0)](5Z_7E)-(3S)-9_10-seco-5_7_10(19)-cholestatriene-3_25-diol_C27 H44 O2_1.95	907346.2215	1027756.71	872833.2177	534311.7307	568262.2683	586324.9438	689818.4974	588305.9071	684971.8395	611621.5238	890327.2014	935393.5612	1065135.978	787174.0095	864781.1397	1094889.447	1993379.317	768839.4573	1078759.413	830650.0848	2449309.406	1032271.974	2190813.129	2160218.22	1702781.07	1764654.741	1987715.204	1948044.281	2338367.656	2840541.94	473741.1488	920514.4176	657133.8166	929006.2181	666821.0045	645473.4022	729505.3408	723876.1912	651958.635	666595.2914	634613.8216	1103708.969	1053051.772	740068.771	556373.3423	726033.0023	754039.8964	764995.2521	758094.2664	883865.3298	1047196.141	764297.7233	967425.0796	863453.3243	980168.0896	733178.7364	868015.9967	1932032.689	2227542.121	2073743.458	2089382.254	2113382.153	1033806.061	1140878.207	1150261.472	741972.5513	741036.8453	849176.9013	803188.1237	736648.7059	861471.4749	771277.8857	627185.538	749408.3653	1019408.419	766064.6008	1213023.874	2268212.56	2751166.064	2220488.344	1940295.322	2156501.968	2238024.04	1176200.411	556115.7988	982279.048	696515.8644	759522.3294	674918.7699	600505.4987	623032.5289	828542.5045	759414.6926	589549.6199	814513.7642	699779.9969	2206286.37	899671.0811	1800422.303	818538.6898	952557.5062	905055.4913	927323.2256	1975999.831	1824677.851	2820032.726	2266583.231	2167426.762	2276973.269	2222127.79	1946713.361	2051086.271	23490.57216	921262.8837	744801.6582	947874.4044	23353.73475	863933.5683	850224.1459	977746.2442	34171.32019	787364.7649	956029.7746	1016979.257	24358.99406	677622.4197	842128.2553	845953.8363	23883.91511	853640.3512	932634.9366	1127670.49	30121.8838	695656.4515	808663.685
"1,2,2,6,6-Pentamethyl-4-piperidinyl acrylate_C13 H23 N O2_1.943"	180100.9554	3283858.03	2026205.399	141243.5624	67559.07915	717935.2245	188956.5527	1211114.896	117803.4858	174196.0365	121273.6494	428769.2554	413616.068	303114.6732	479929.2523	319208.1222	210033.8446	499426.5576	190734.5741	228686.1914	309856.2895	242319.3596	399006.4192	372311.2466	413334.0196	93310.55137	170110.4792	133037.4054	5288484.522	110362.0474	308512.7457	396540.2951	508110.3055	173198.2601	538625.7374	169433.1874	220562.2292	41554.37428	102430.072	66782.60122	168677.5821	1460703.44	209063.9274	113626.4909	126373.9495	126041.886	175802.6352	292301.8963	126092.9948	91892.42131	192939.4949	371234.1193	70997.64207	1965584.228	569547.0529	285613.0984	470734.0155	183686.1534	280601.6645	420312.3251	236268.122	254148.7425	306052.9769	1141908.202	193177.7444	576304.9675	2470199.51	91547.34375	654873.9653	363643.8055	81666.7695	103656.0682	119209.4829	162411.1856	213709.3383	122048.4625	406236.6403	1797860.47	206896.8633	1690259.392	157771.7838	354647.2489	37974.04411	415678.1929	207983.7299	96507.63172	328681.9975	6472158.599	472327.3511	331770.6775	149111.9729	129983.0318	184051.1898	87755.05324	416509.187	1575566.082	194493.2399	71134.19307	226110.1926	73202.26825	2246749.161	143859.0399	204865.4268	307720.1995	149933.701	504287.6713	57588.36358	141334.4382	576211.1526	248263.5382	217944.5437	1132874.631	500957.4565	1937712.004	696489.9849	2307558.217	324505.4345	1901306.497	1476335.232	2119875.81	528259.7968	767326.6659	2055735.132	1921199.216	406258.5969	1313802.456	1363658.858	1757723.495	488129.6926	1681584.59	1700188.895	1830552.475	429900.1761	1501250.221	1603573.038
109424_C6 H4 O3_7.945	13787.24342	16138.01604	16824.2721	15887.46809	17836.44423	16155.53531	20571.56501	31645.68732	32737.13801	43963.07811	48240.97126	14601.68742	14258.90883	12277.49323	14469.31454	13927.08482	22007.15545	17444.17117	22171.36634	28880.63129	15566.80787	15543.32436	16124.87702	17444.8153	21473.42529	15089.20345	20076.69315	20175.08567	21696.33393	23895.67932	523212.8751	441322.8828	515301.0381	635674.5949	462662.4619	520391.5847	929401.6458	346055.1619	332681.6984	586208.8752	670040.7496	1915842.619	3245028.562	1369698.958	2630350.097	1586765.433	17094.38834	14561.86733	11578.65948	20405.78664	36446.71011	29533.82173	24659.89151	34031.27219	30399.54071	22941.07255	21149.87691	34993.34876	25711.35979	38370.60489	28792.07696	27310.80318	22483.8655	44967.89721	59750.46619	15594.37162	21159.99274	29461.33207	36295.75741	21273.84138	24213.63587	28699.86742	20818.6789	23128.12298	27079.7088	44054.23427	55849.43407	18065.72453	18459.6638	38131.12998	25599.40368	23927.99973	47198.20297	28472.95691	21775.09816	26692.2354	20842.51832	20610.44542	38777.41437	24544.90957	27116.02368	20205.99028	30418.95152	42203.24956	66555.01307	31854.52494	37614.91094	33755.87277	32002.81699	29862.65426	56403.60896	71331.65838	2823005.607	670747.5947	1414017.634	1689386.275	1681545.3	754104.7984	1628749.755	1284524.122	1041644.755	891384.166	4034.814314	322509.5409	255982.9171	320881.5134	4955.524973	351648.9647	296749.2381	255731.8103	6387.801301	310555.0415	316781.5989	255712.5035	6976.583744	267812.9947	313690.6739	288589.6835	7752.238215	376531.8652	528317.9485	164468.1903	12790.00707	152835.5389	332689.3605
11-Aminoundecanoic acid_C11 H23 N O2_4.111	3760969.752	5672181.504	5423408.3	4190579.563	5909638.615	4599777.526	6392251.06	6930935.272	6040410.462	5826871.236	3047986.774	5787494.547	4299443.519	5490394.49	5700133.879	6207857.794	5496540.669	6224912.875	5518144.49	5466804.332	5822170.849	4509042.096	7406848.667	6575090.551	5157628.646	5314430.181	8090891.828	5915916.099	4719288.913	6627954.956	5800942.519	6735034.863	5610196.541	5404717.513	4938517.393	5543856.539	3815058.407	5839036.746	5751725.589	6536903.897	4679795.491	4823385.39	6467025.791	7509240.593	4249005.252	4359029.931	6215079.136	5988642.223	6364307.514	9058667.386	5970421.988	5612534.798	4681411.635	4199396.492	3430493.908	6090064.573	4344275.354	6089797.825	6273164.123	5339945.219	6578407.009	4985687.103	5411701.224	4772268.107	6244102.001	5291303.75	5714025.995	5937931.877	6109340.128	6470907.371	4220620.697	6078186.723	5711386.567	5118570.629	6093372.796	4565823.356	5453320.919	5450198.167	6310005.834	5250195.514	6725796.272	4339417.079	5250258.749	7073322.668	6469653.054	5514816.811	4318900.015	5209714.256	5296805.574	5798804.488	5569451.174	6281772.273	5908582.879	6896347.023	6005471.271	6007171.109	5648135.076	3942009.107	5392318.716	6250452.232	5899094.377	3799199.712	4735519.716	4940131.343	5066760.687	5919136.936	8963900.867	5423052.135	5855493.458	5834395.13	6515245.579	4566481.531	444617.1108	5618375.441	6445766.918	5749769.119	205136.0628	6080136.104	4677732.442	6068967.051	1207961.308	5755867.894	5905558.24	5902657.345	143601.634	5889307.121	5770422.38	6035150.265	397210.0527	6031052.798	6291345.32	5442646.886	311840.5081	5200726.904	6091499.03
1-Hexadecanoylpyrrolidine_C20 H39 N O_1.94	76156.36158	153743.7776	359724.6817	38754.37488	109782.1542	583440.9138	79183.93512	138523.683	108896.1723	199177.2841	337668.7177	237421.005	49910.88106	41523.67283	612158.9333	99804.4362	74483.97	412464.8271	83373.29139	493315.6415	37889.34218	40459.66469	188205.9375	97056.79452	50376.42407	71264.25709	76341.77799	178527.7802	770832.1971	109125.3333	624660.9436	252609.3718	1262231.122	218210.7717	80225.03598	80472.76351	340989.1122	76885.72042	63495.66024	167363.9872	275031.7509	1792218.566	180595.9846	92529.85624	76049.95175	104783.2456	104874.7087	145106.0975	58584.13848	96388.53251	122850.8421	252239.6032	75322.01381	602549.9225	2191479.225	84878.41831	101186.7394	187769.2253	142594.6678	104975.0962	174581.4574	612571.8653	222346.235	2624841.994	177283.1623	132535.7776	1782229.371	66112.66536	470681.6559	209525.0639	81139.93594	67636.33915	197477.5386	112009.0506	541383.5071	70580.20625	127804.0039	650271.7469	298802.8123	176635.5097	107340.5892	212143.1544	60383.7594	87076.2027	49673.68065	101998.6614	254755.3443	762036.1364	317265.9885	144486.9725	135654.0551	95498.44642	247034.5373	86017.30369	269191.7576	356083.0534	305815.9552	92893.56936	473415.171	258140.3837	150004.778	142302.4182	310689.1117	324587.331	48702.11556	68480.94311	57887.60367	56102.23233	352696.5329	114792.1744	206527.4916	674237.3671	128793.3428	544508.4293	376840.7602	615917.7615	270127.4101	482130.4218	455271.5116	635540.4641	521435.2363	364400.3653	619592.6359	601019.8583	479386.4872	335601.0512	404534.2006	498061.8757	515734.5326	552901.4296	521152.724	610021.5702	521672.8986	399472.7864	498947.6264
1-Methylnicotinamide_C7 H8 N2 O_6.938	186547489.8	174415074	205041959.3	149884456.4	157264634.5	153396810.7	163717612	1430627.456	355218160.3	198125046.8	203513114.7	3144970.76	78305056.65	60050889.57	63658009.72	49090821.72	37173323.37	13524701.77	50168745.16	146216064.1	20085344.04	16055899.18	15056565.51	8549693.766	17390285.61	966662.0942	3928024.98	1238112.299	20202649.13	26079571.81	153437382	2138311.904	144613816.5	207462839.9	116899498.1	136424584.8	156014345.3	1908839.242	453428.1547	91882520.58	229332853.3	165399675.9	95122598.97	154860490.3	69254117.98	182646126.4	2119920.594	203834113.4	153758144.6	5235075.802	119030413.7	130449659.2	88381871.14	53411733.95	191701075.6	180127887.2	122149632	30710995.08	49860564.65	72124281.55	8195176.103	124105774.5	122558466.9	120717947.3	4402621.727	148883773.3	1103999.187	11018922.58	930659.01	185074045.5	86888081.82	208654977.2	155874492.3	196187905.8	211916347.2	242597881.4	83616515.93	2103743.029	66784696.35	119097539.2	44874259.33	120831839.4	46415038.38	57158878.33	187741258.2	190433259.3	155189337.5	156377659.6	106804568	3390592.892	165709948.8	139698493.5	87485633.11	2399221.904	1581655.589	35611225.02	66790542.89	13151408.66	62804388.62	36375867.06	1813497.075	121317482.3	27172378.2	641312.8429	11633506.51	39085060.17	4239278.935	30064648.67	178510.0923	1808252.139	20648609.94	14363655.79	155809.3567	80463871.54	84950120.5	86171438.84	113537.1314	55196777.83	112910319.7	125373352.1	17177.36724	51424375.37	45917656.65	142101940.9	16857.6761	41881064.02	71991776.66	105317599.2	18278.25395	69512485.54	106031077.9	105941758.5	134159.6293	41893761.05	79325645.67
1-Oleoylglycerophosphocholine_C26 H52 N O7 P_3.479	2383122.964	2848006.513	3442639.354	1789805.295	2239073.096	2105362.984	1846886.575	3199071.284	2961759.212	1462379.792	1803834.862	1704549.801	2119493.333	1667468.878	1562225.409	1422660.599	1422034.876	2318315.437	1690723.989	2129487.255	1904099.803	724895.3335	1569149.227	1827988.813	1606240.428	2210556.71	1931677.303	1291094.795	1707910.541	1976044.925	1532923.299	2681687.874	1812521.254	2605212.167	2658963.702	1441112.629	1568810.552	1778923.087	1757695.827	1421990.422	1466136.381	1780672.899	2545930.219	1571288.513	928811.1693	1438666.379	2055651.908	1877698.427	1869360.628	1915183.261	2544855.521	2302280.556	1820411.664	1986123.698	2126434.021	2535096.959	1322245.304	1937832.625	2071545.873	1370841.089	2586482.552	1627050.882	1757065.792	1731319.517	2150318.097	1440705.923	1975430.915	2226083.895	2499543.528	2375919.412	2356092.718	1899333.035	1597939.068	2608020.83	2330324.553	1603984.691	1176728.267	2837640.17	2561463.453	1524311.269	2209413.006	1189314.255	1683377.12	1802588.284	1725682.874	2758209.893	1846150.505	2031823.191	1636628.423	1787108.661	1758313.28	1643382.523	2822647.104	1599608.392	2365460.512	2226518.677	2354369.573	2181493.606	2190982.89	2101117.839	2015692.016	2108651.867	921632.6906	1219009.963	1111486.721	2320948.842	1355178.491	1760207.233	1388330.555	2052925.908	776107.3646	1086534.159	11691.52547	1588568.422	2206400.387	2467528.811	9362.739764	1542917.131	1929737.07	2482044.708	7208.211571	1341124.398	1996091.778	2323673.83	7205.049606	1409849.674	1859282.524	2177962.18	8664.357843	1685505.539	2030810.437	2673372.205	8781.344069	1369068.594	1847555.629
1-Palmitoylglycerophosphocholine_C24 H50 N O7 P_2.415	6719745.305	8599411.28	8515772.29	4854092.854	6175283.113	5638546.636	5510933.927	7041472.242	7276512.564	4953109.147	4992799.246	5340876.691	5860741.103	4110782.129	5031762.275	4735009.319	4062972.965	5259210.17	4507201.493	4560578.861	3244319.134	1687964.083	2250959.396	2932230.378	2662960.098	3110574.245	3111674.109	2265294.012	2541268.846	3262670.908	4463115.216	7028872.628	4830744.363	7586348.455	6133132.732	5083248.411	5064623.111	5688417.408	4227359.161	4326094.789	4424330.818	6226361.467	6700673.049	4614964.049	2946234.747	4646946.691	6610319.972	5975449.484	5438502.646	6623009.033	8303641.435	6745104.832	6794711.132	5743098.381	7049432.575	6395269.521	5289703.226	4908110.761	5999908.881	5481454.23	7097296.321	5319382.884	5533058.149	5532949.77	5339668.85	4082226.919	5519408.94	6797849.963	6948305.576	5100963.733	5969718.197	5307329.127	3969439.348	6483255.745	6400452.106	4603915.376	3324107.915	6338025.609	6426477.24	4955016.775	5002167.869	4193812.238	4755723.995	4747200.665	4485770.346	7891662.985	5881071.412	5912338.697	4645714.507	4901000.373	4793613.872	4445704.498	7270326.625	4374561.28	5708534.316	5037006.377	5199269.076	5347207.375	5686457.622	4840440.473	4865039.404	4303906.169	2075005.396	2464326.8	2182136.112	3592294.135	2343275.876	3439906.034	2161705.378	3033084.095	1585652.075	2129049.224	8154.634705	4377817.016	5610600.219	6414760.033	4956.960165	4062338.8	4826631.094	6071833.639	5524.875859	4449226.843	5166204.474	5422446.38	4420.150574	3986951.04	4951114.643	5302786.853	5680.466431	5224569.916	5274579.528	6368490.538	4810.040868	3972467.222	4855192.673
1-Palmitoylglycerophosphocholine_C24 H50 N O7 P_3.486	4197760.302	5338809.67	5793628.378	3518929.351	3209464.171	3533084.94	3181118.119	4808413.772	3917456.454	3380434.466	3679115.539	2924989.542	3719934.858	2670845.228	2929502.578	2638691.907	2568697.579	3207984.238	2817947.687	3207693.542	1894663.03	1011316.658	1511869.472	1656002.371	1487526.945	2127119.007	1797548.364	1545230.382	1899321.814	1854390.124	2814662.14	4295926.591	3082488.163	5106644.476	4033396.215	3040591.577	3487013.143	3048371.877	3206161.506	2761556.205	3088239.57	3767892.138	3767491.675	2940881.471	1970409.803	3089747.787	3814327.673	3566872.075	3591379.067	3759056.343	4588689.667	3771141.319	4034749.34	3994227.408	4535978.73	4146682.879	2887581.078	3021393.29	3676269.118	3333869.507	4118860.795	3324452.185	3315261.553	3467694.773	3664865.842	2872792.228	3810590.016	4262212.777	4845582.966	3784590.102	4656186.176	3537617.755	2722459.436	4438668.738	4961277.83	3420204.824	2500991.522	4839268.298	3915816.772	3268486.936	3569830.191	2961810.495	3442425.655	3316962.888	2817740.583	4851019.949	3838008.485	4088492.309	3068979.873	3058188.261	3675905.498	3349551.869	4938174.38	2732037.132	4314517.846	2997078.28	3591661.304	3359024.255	3602348.207	3215407.163	3533661.748	3508163.115	1418142.593	1508260.569	1390325.005	2294516.051	1620202.175	2147718.398	1662485.967	2310030.946	1239915.385	1611150.027	12596.66426	2938528.439	3536488.815	3696868.676	9527.875392	3003169.157	3420529.46	3739557.725	6937.019602	2531975.328	3366002.44	3777199.684	6947.25773	2772335.113	3178703.509	3391446.492	8615.338973	3171142.4	3307654.123	4153566.353	9231.703267	2710116.19	3100718.772
"1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine_C11 H9 N5_7.97"	161607066.3	293122513.5	309400314.6	331099558.7	198912429.3	90040463.39	209947900.6	395644477.2	157873364.2	209223655.8	204745241	204682652.9	131682455.6	161204971.8	152505648.3	273363372.2	221392856.1	171430774.7	218811080.6	248248358	408934128.6	304201013.6	240147545.2	242713247.1	202280042.7	161668519.9	215028949.2	200963528.6	225233599.5	456850191.2	262545096	188033756.9	325416154	458108349.2	268187296.2	219224699.3	252464561.4	248618099.8	299174834.6	338381068.6	347911758	264222798.9	302568174.6	349865218.3	442261576.5	363910085.7	352767209.7	310347756	118656967.7	243030806.1	382889964.7	216590832.4	213723908.6	190102446	224534587.7	204230233.9	159786971.5	142151994.9	138674510.3	153453530.2	304253563.9	116933711.6	161711545	232629309.9	251873582.2	155243089.1	154924916.1	268356601	310271205.2	309509335.6	174028045.6	209001207.3	184665259.8	177556976.3	262430050	158833343.5	311473085.7	265664514.5	323058971.8	225619135.7	194022573.5	195226931.7	135148350.3	181362441.3	165734868.9	225066142.8	568805785	231967823	473315079.2	252678243	381645620.2	232077525.7	261126894.2	30854738.71	219611876	177657954.9	167099433.2	193863301.4	196770299.1	242826502.6	156003865.5	223156092.9	378323357.1	263087977.9	305111917.4	450241563.4	294037971.7	224322757.9	564703279.8	288136727.9	365664222.6	241367993.8	49080372.11	237710604.5	276172995.2	280991328	339633.7033	307827127.5	314636862.2	265542494.8	3046485.842	227160698.6	215198598.9	203482735.3	2288943.612	284362839.6	382845969.1	193313043.6	56824150.12	374807920	285123107.4	187883290.8	96163712.12	207942718.8	363132952.4
1-Pyrroline_C4 H7 N_6.57	7411119.203	9562901.961	9180263.093	6882597.7	5437781.295	6967762.176	5952754.68	8602648.715	8817497.549	5621056.876	5695773.595	9136256.136	6255480.872	6543003.795	5023190.094	5397564.852	8581961.143	4734556.41	7612496.592	9217476.294	7637742.99	5200469.247	5196302.815	5440521.36	7508460.218	5054356.65	5399109.366	5449206.565	6018585.877	7162363.76	6243950.932	8609013.049	6729537.369	9460870.816	7337090.365	6282851.405	6706752.107	7083470.664	8340358.432	7104540.522	6876300.988	6584081.265	9450186.492	8161452.895	3909562.476	4987655.433	11792237.18	9734116.474	6777628.284	8491479.186	10526612.07	9149687.091	9287948.575	9062482.338	9017229.224	9562864.804	7365594.714	11944335.87	12290402.12	14172169.05	14867678.21	14084174.46	10244786.5	13358533.34	12144061.34	6482031.596	10018004.28	7404234.398	10150432.42	8206225.648	9243574.225	8092568.119	7331693.298	9184302.076	8256725.781	7902149.599	10620431.99	14085732.73	14985822.48	11404415.12	11332807.88	10649097.88	14017310.73	9425073.484	6894529.387	9264842.755	7225428.41	6623452.65	9015629.572	7875739.866	7579463.909	6386115.291	8118371.098	8123390.108	10454043.34	10291205.87	11831032.35	14041900.03	12055276.73	8195097.229	12450017.87	9527862.463	6603995.606	6211059.708	6709579.346	8627482.882	7104984.235	5705810.226	8246590.296	7042951.86	6079788.791	7129002.351	51467.96838	8688565.284	9649362.939	8582111.9	18172.22366	8395769.935	8312182.693	9362071.7	15606.42319	8607950.304	8909666.243	9948112.292	56055.14584	8434767.879	8033038.711	9187984.833	17031.5634	8829567.51	9287160.376	9653768.245	17885.6952	7663411.182	8792432.828
2-(2-Furfuryl)Furan_C9 H8 O2_1.96	64872.28136	25280.77875	20874.95161	44526.60126	67406.20985	19337.18131	124592.5314	109419.7449	94250.73075	128427.7607	109878.5127	75602.37822	27032.73931	42032.45932	127228.5579	31094.39549	16977.51479	15774.81012	119026.4623	27228.25414	32714.3242	18687.29233	22358.98852	26932.56404	83600.6124	14856.99681	96766.89113	21482.72182	26824.97328	174297.5231	83813.68865	28389.17781	21266.03055	164572.6474	99785.69887	21297.98883	89041.3375	19729.3444	114132.8178	90318.7296	18019.13925	91622.34316	24579.13529	24853.0565	10493.70655	24852.57143	32171.83308	104286.2102	16260.52189	20668.20041	27498.62616	21329.32718	23031.45074	15880.09643	115995.3996	15420.16993	21799.16889	15935.50037	111025.0672	60577.0433	17715.40089	96534.05824	22866.16561	25014.84196	130325.147	95550.86171	24221.35244	103728.3405	19335.41904	23438.11049	29150.10488	16819.90688	95034.87967	21264.13538	27872.80738	43092.33679	19406.06841	86276.7226	74242.98669	119257.5132	107900.1377	98932.98502	127136.2819	34277.77511	17488.9132	23699.58052	44975.62579	27269.8374	17178.06072	125428.9106	56273.54519	17439.027	24889.36381	23368.22173	21164.94688	17979.67869	33535.59579	3981449.761	19248.25593	23945.61568	36912.31236	23346.05957	91153.46674	44520.12509	27347.47072	71156.10675	95767.22806	66817.97572	22676.04384	15610.95249	18496.22099	25310.51474	67063.19009	50297.12736	40671.30092	67952.55749	113596.8592	33532.95067	39351.26179	49834.55594	31762.95439	30278.38944	74746.32877	69299.88285	68851.94246	23787.54947	42172.42758	52615.44713	117083.5008	47408.36357	41559.68528	55399.5824	91285.69308	46413.64236	21226.1713
"2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid_C3 H3 N2 O5 P S_13.104"	11242773.42	10414957.36	10892627.14	8259024.264	3524109.98	11650975.2	6548683.158	6339181.234	15126158.18	5404658.198	6938009.488	16039628.13	8619800.527	3176734.131	7478545.893	6165904.607	10192900.98	4819817.377	8184322.642	7034035.817	7412713.897	11850151.28	8770394.674	11665626.38	9029259.995	6733389.617	5680385.845	6718795.538	6698779.814	6948349.408	4838933.04	11011087.13	4513945.996	13460696	6693382.952	6997389.024	5686791.153	11462909.96	11030328.43	8417023.28	7393222.894	13984888.04	26786086.77	7808951.104	10757794.8	10216054.42	14971888.99	5102932.614	3058487.438	8540277.313	10782414.92	9660672.844	4269263.666	8876425.364	7388500.323	6515573.338	3030291.894	6688821.872	6907785.686	20738.06417	6849367.361	10417896.83	5108084.424	6447483.926	6656652.203	5953594.097	21534540.88	7562768.251	10480341.36	9069015.494	11320410.85	9233986.467	5647740.291	9326579.369	5725480.956	9427419.98	25659.22615	10626624.61	16113576.81	7628644.566	8305328.711	5222109.567	14124808.43	5858008.861	8456551.043	8528705.205	7128191.444	8357347.549	8537963.379	5512162.773	8118415.289	4673702.893	8001633.259	8984451.241	13270365.48	4581244.245	8521375.216	7866441.377	9599551.535	5192183.882	8881191.2	6422842.452	6537606.495	7974277.94	6527092.922	8833183.076	5941118.802	6674956.175	10627632.69	6439964.317	5281524.647	13822185.46	27805.39196	8558697.879	8063085.124	7453282.947	26656.17556	5896504.781	8919536.392	9680381.453	19763.70041	8103767.054	7679988.95	8909515.528	17154.7615	6513778.496	7360231.639	8959109.652	17247.84585	8415913.796	8140226.456	5724991.718	12908.05559	8768887.72	8615142.714
"2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid_C3 H3 N2 O5 P S_13.347"	27959.85996	24709.06948	24657.29927	7894671.491	3626710.027	11987336.74	6600696.867	6255810.272	14901445.87	5222276.833	6683706.542	15050704.22	27713.70736	26192.19933	7037850.393	5550750.668	10214265.87	4945593.141	8220577.523	349384.147	25404.00065	25875.2908	8630506.627	11510456.61	9243094.35	6923246.277	5825040.101	6795212.579	6680966.604	6905332.91	4503663.313	9212456.296	4378743.917	13683303.56	6856726.612	7121784.916	5760945.232	11162376.42	10724177.44	8170616.089	7111606.272	28153.46032	25356.4935	7856425.588	11111462	9856400.482	78246.19625	28044.38174	71354.20973	8117845.887	10977345.6	9956848.313	4409663.318	9162768.86	7611103.247	6687841.936	3079528.27	5507184.424	6778848.409	8951487.263	6993184.512	10756743.4	5258940.882	6453201.819	6603749.686	5590850.151	21025.96352	7314562.925	10601660.72	9295070.099	11693435.17	9536234.68	5828108.996	9589007.03	5669966.837	9137231.258	30550.8914	9895514.626	14987661.5	7271404.133	8127297.826	16769.64201	14396688.29	5894287.041	7925784.288	24234.94709	7185027.406	8439278.096	8815505.261	5681176.374	8237490.309	4718901.746	7966208.986	8791446.188	12842133.89	26411.83513	19664.3928	7983975.844	9814314.503	5347616.556	9157736.896	5367710.404	27494.74947	7559542.317	20436.05606	8738409.428	6020066.461	6856440.512	10977879.44	6615960.52	5159621.523	13481339.72	30516.08622	28341.03987	7513189.739	6954519.927	26328.6104	26551.80202	8575884.472	8315416.412	22179.41647	8103767.054	18934.79248	19639.98814	18866.71983	6723460.764	7592536.937	7676107.9	19900.91946	8589746.334	8161876.373	5630282.641	14000.5805	8594737.032	8274660.931
2-[amino(3-chloroanilino)methylene]malononitrile_C4 H6 N6 O5_7.951	57370.98258	47960.61009	30973.4812	23624.69458	21393.76871	19511.87298	26125.20048	56166.21383	37421.28505	41835.64802	49116.70593	65210.73214	54137.30889	26369.1981	34289.7881	30883.43615	36681.18157	22366.84423	42089.71531	68579.59409	55309.37024	26380.57473	20919.79259	22387.11721	24842.29237	17448.35498	24420.71592	24638.58301	25959.30536	46160.24384	9385113.045	13226168.25	11962156.76	16893961.54	11626338.66	12078785.71	15638372.52	9773442.711	8266719.299	12608022.72	15759502.51	20493251.32	54647387.34	30635023.84	35664330.24	39402482.42	243400.7813	155373.024	52847.75218	103181.6127	204481.0283	206811.0437	138136.1046	203651.9438	107473.1358	165901.8978	143774.3839	351101.3768	269681.418	231400.7314	276852.651	535984.2558	817987.2754	403958.5423	331888.9139	154906.7383	196277.4646	166148.7003	153868.7522	164850.7823	139478.315	164125.8575	172372.6853	164077.2648	209469.8067	162705.7962	655643.6471	806530.487	562470.0622	253256.1313	118734.5498	466810.7849	396960.7489	212626.1968	152119.9058	394073.9057	140292.4311	198497.6267	241298.0007	184856.9074	170209.0571	191257.015	275617.564	105235.7165	201797.8111	405889.2358	460311.3373	423101.3813	462221.9667	324744.0971	299228.3552	579141.9363	72022836.22	12870473.79	18336243.39	52092350.88	30092532.87	21553760.68	50422758.36	34324287.27	28039844.28	39453367.29	10140.94108	6168460.533	5353892.282	4835856.94	8693.195781	4887340.237	7528014.604	6477234.288	7854.844048	5761246.064	6113457.227	4149258.175	8111.400505	5449267.907	5652150.451	5387088.583	11848.95273	6906968.09	8662925.558	4387224.678	16962.58743	3194561.895	6612238.225
2-Dehydro-3-deoxy-6-phospho-D-gluconate_C6 H11 O9 P_10.193	43558.8501	28509.40928	28032.88229	30756.77095	19337.1121	17800.7174	28120.93182	22122.42078	18544.97474	14574.51948	13907.62751	31572.40447	39344.75342	28744.18592	24019.5968	23090.40447	34753.16883	20813.08007	22950.23094	22176.28779	39148.65689	31798.07162	20773.15117	25113.51081	25481.16326	26446.05142	49725.98076	18774.83052	19527.08494	34761.95985	5797151.447	8332224.191	2546938.905	7897213.387	9628942.014	4403186.714	7323243.274	5421766.179	5882159.486	4520988.937	3769919.466	931910.4323	2226016.172	540041.8311	1156039.445	885394.1083	34359.75846	51447.79865	32308.52011	39643.13569	34352.47489	34424.53578	24356.18978	26649.11497	31661.00751	20689.87675	85868.21678	22443.12645	27230.82074	21716.47199	20207.90112	35805.78462	542265.1421	33652.08382	27673.38172	27363.88427	29258.68491	31212.81826	21345.71305	22419.5196	22960.16158	22949.94256	23629.62818	21221.62635	22831.3327	32804.80011	85012.2193	75324.79336	59016.34265	78693.68426	23231.7039	38486.13476	20256.06954	25165.99484	38647.8937	26775.99293	20834.01891	31000.08577	21433.35787	36035.80247	43125.43288	21115.37243	35771.57957	16835.80402	14620.41486	47399.07373	83422.71266	54427.84451	106208.9931	27777.86465	51103.77197	72567.5428	2767303.139	409668.8702	647984.2537	2047531.932	399490.6337	1858371.73	783965.1361	1158685.457	907772.6769	4349112.636	48239.71796	306138.6488	246828.1514	276587.371	29255.12847	152988.1086	188633.0723	389229.4437	21365.26931	263750.3779	320904.9482	254145.7904	21396.11606	232707.3604	231117.6266	290590.7804	24860.0912	293250.6187	102054.0177	328421.2555	18001.55648	214446.8776	306642.969
2-deoxyribose 5-triphosphate_C8 H12 N2 O7 P2 S2_13.018	1267305.874	1125034.661	1293269.85	54579.92591	356135.5954	1921699.724	453657.7168	372082.0156	3572489.848	495026.0989	536149.608	3056774.277	819237.0186	74690.70515	654189.6443	60081.10953	1205304.104	303551.9113	798776.7198	569807.5142	405836.3139	1695271.011	974867.0198	878283.4574	995606.6716	685351.4764	417232.9991	455352.8411	475645.8273	505014.0572	156241.2321	1415789.74	230368.6772	2270932.07	487106.7321	391732.5988	566877.3313	1886527.186	1472837.277	840834.8277	596746.6569	2389066.282	8061533.778	638224.2213	1652970.824	8450.773644	2256718.55	704559.208	79022.99679	862088.8123	1333635.237	1072177.187	257467.4929	1180092.765	916623.6245	681861.3508	126850.5428	520703.8045	573788.8831	18174.91917	502293.1	1438563.445	366502.4249	393366.4659	491346.7149	317570.887	4678030.689	951828.0146	1179724.991	70133.60366	1288595.388	1010555.295	366788.5045	1008989.459	15719.65185	904307.5182	1511583.978	32357.31734	2804244.872	123432.3873	308794.8495	403754.8721	14267.95791	27514.84736	747388.0199	743415.525	592020.3067	839896.9938	1048319.727	352270.2133	570869.9248	55573.36449	18337.22259	917879.7656	2444324.081	161431.5491	758111.2079	619946.0758	1123514.191	489163.0419	1104373.988	456766.8867	441537.08	674886.217	507701.798	965942.0483	402921.8542	569597.1994	51228.00491	471157.5829	300322.963	2599505.197	49242.99185	1023020.037	777807.5744	591109.9685	25276.7658	530590.5441	962156.6896	1180661.621	15948.84963	944406.9005	745931.9513	1133400.574	13378.87552	474880.8269	670523.3331	1018262.377	14444.22254	677457.3638	751851.0044	10639.04039	8748.615765	897176.1731	850242.744
2-Hydroxy-2_4-pentadienoate_C5 H6 O3_7.941	36049.81525	37663.86428	39260.15962	37750.73158	54986.95632	48161.8827	63823.5505	96816.12816	114729.9669	169259.304	193526.8892	35971.15782	35144.78924	30608.44448	33960.27611	57714.62553	55035.53219	58002.83728	75517.67217	88085.09698	36344.54734	40007.46752	44411.62338	43161.52196	59825.20956	40075.67547	75099.23397	60867.88286	69384.30546	105839.3484	1388811.455	886722.7329	1194400.632	1279811.103	1841426.839	1438766.415	1848947.589	1026963.004	734765.886	1226392.115	1622330.9	3475783.55	6045389.434	2826163.227	6402052.049	4211308.805	46443.91409	37241.90361	27355.35122	48049.19027	69066.35411	77120.41305	80283.85109	73037.9954	84499.31732	72216.29171	62443.31105	50150.31185	85213.36887	67657.62512	75138.7352	106507.8911	123916.0842	99137.24224	107482.2537	36545.9416	52417.7776	41601.27324	93227.11152	62118.24176	77314.302	69528.05117	95863.58476	102915.0302	89719.85491	163297.3532	159393.2135	95686.34264	73283.21396	44164.58728	70738.51977	93450.61354	89834.97123	92740.36338	30164.0858	44509.81322	53797.20491	55516.40726	83072.77317	90574.45803	74785.2401	68466.76268	95187.5595	148939.3846	217818.9881	85756.1951	69030.30718	109551.0605	122066.7879	82955.70972	114340.1452	141729.0347	6461154.626	1212853.879	2333760.11	3087982.216	3128860.301	1564861.954	3702685.405	3708295.874	2595097.202	2246589.475	9859.404269	670915.9313	805297.4301	822554.2253	11576.21316	928912.8166	533663.0019	826208.5714	17200.00396	668589.42	665523.5948	674894.62	18838.92381	712071.2203	900379.7023	642282.3941	22942.76584	855342.1763	1258335.013	454203.3448	56671.75678	411093.4197	892925.0246
2-Hydroxyphenethylamine_C8 H11 N O_2.412	925031.2632	784512.9101	956004.1266	1193690.698	1258575.508	942774.498	1448499.664	1509192.591	2020159.747	1010552.401	1122358.699	1388884.9	1092159.414	1516611.974	923864.4824	962955.3414	732634.7974	1301250.383	1177884.448	1391985.575	827741.3605	817567.5863	1236712.041	826388.08	1330082.593	1065802.867	989681.6185	990197.2285	708695.9483	766269.52	1509920.498	1234219.901	1212512.724	708764.3344	894479.4978	1118378.191	1041729.604	685649.3567	1138941.616	1282943.525	1281969.237	919132.6152	753895.3152	737141.0661	549831.121	993945.9565	1140060.712	1272998.012	1547837.464	1372500.233	863868.7905	1203416.991	786391.92	742636.7132	799438.6866	1368325.697	1345905.381	859781.2518	957242.1528	1029873.044	1313448.825	724160.5558	887827.8523	875838.8513	1356222.249	1263480.343	1067046.9	980917.1207	1257001.836	1402771.998	995856.4935	1079309.665	1127792.074	1043874.335	1455219.714	899653.5765	1058658.681	1230886.456	1230320.331	1074002.172	838816.6619	915938.5596	448766.8567	1015440.004	1075848.618	1036648.431	978682.7217	1152571.995	950786.9513	981181.8184	1260714.47	1238450.322	1039943.421	1080608.68	881003.9436	1166833.846	728514.7647	1343185.729	963703.7112	983718.0688	927565.459	1256238.522	1056043.861	799141.3621	1161699.252	981780.3188	909688.4974	739809.2358	725954.5061	1116921.032	820222.5816	547108.7578	389125.053	956679.1964	1215561.73	1151371.522	297880.8878	933814.8924	1036269.381	1110980.1	354510.6588	1008594.44	1190838.22	1021465.494	312625.3295	1022735.003	953274.198	1183390.359	319065.4095	1008048.867	1056692.191	1190805.424	251175.8108	1050849.133	984006.9973
3-Buten-1-amine_C4 H9 N_6.604	2132858.078	2497220.556	1947067.542	1562171.773	1378471.523	1732746.718	1528413.196	1952510.996	2077157.195	1518756.473	1573105.677	2451923.23	2051461.968	1672537.461	1714562.839	1656732.785	2249294.142	1473360.111	1902931.498	1992871.137	2125245.908	1570048.762	1422090.212	1435587.403	1677719.387	1326877.646	1512468.208	1549030.115	1781642.266	1816122.863	1660530.201	2165114.479	1780624.115	2730945.124	2034217.831	1698737.456	1823690.939	2675467.64	2409931.156	2073462.936	2688098.956	2507354.564	3512687.977	2180313.873	2153247.827	1926106.987	2608913.061	2090616.162	1345837.886	1444072.551	2151030.203	1948711.093	1808321.254	1883008.618	1847250.586	1877929.198	1351013.032	1756679.248	1821633.86	1612414.322	1650423.495	2196430.191	1856341.758	1751503.663	1802730.601	1221154.886	2140348.227	1478306.611	1853673.705	1738935.601	1889381.728	1899630.175	1482573.515	2266120.623	1910835.723	1703685.379	1715479.789	1933903.428	1989885.138	1538689.198	1723436.578	1505827.792	2014155.569	1714845.665	1117354.728	1666176.325	1142531.859	1256324.467	1390232.716	1001389.692	1201633.408	1057049.841	1448390.516	1119571.034	1704074.003	1378771.826	1603046.772	1676450.706	1447703.422	1203924.965	1327101.111	1252355.35	1598517.017	1081927.934	1306830.669	1955417.411	1388478.014	1272098.188	2019716.079	1526208.755	1422316.309	1985868.621	40690.49424	1720475.685	1996394.186	1981889.711	70296.80251	1759281.797	1653468.05	1981671.257	22337.69158	1912972.538	1789817.309	2002974.34	22033.12825	1714576.712	1724646.051	1843010.954	429630.2909	1901343.192	1891482.123	2088049.208	448954.3421	1648321.248	1793045.564
3-Guanidinopropanoate_C4 H9 N3 O2_9.054	137529.8291	62336.56549	551638.7457	52759.3905	677976.7246	918349.3415	640701.0985	1071829.555	883844.7314	71089.81649	52132.72026	212170.4493	29543.61327	131062.0445	783423.9122	36761.16088	2037642.01	707832.8149	73860.78312	89569.16476	38443.36962	31547.22542	37519.20718	39932.00608	46632.49806	411371.9149	67060.66095	740150.0553	45351.02258	574254.1052	1556846.476	72579.7184	67007.29087	116947.7071	82896.2556	65896.99102	82568.29437	76371.17773	58337.93878	58641.15241	66872.39056	1810779.26	606249.5042	77244.59131	109801.4307	56124.08683	1255389.817	44940.91906	61403.15685	44711.19124	78122.35924	77537.80284	1136089.201	1096781.202	2508450.638	76267.24096	70926.24626	661109.225	47641.46847	70380.25982	68394.81175	653839.5436	75046.74334	70461.57987	54188.20488	61394.94331	63049.1025	68482.71484	1792787.987	1677561.963	1333229.852	90222.28822	88363.18404	1421379.594	1903388.993	638294.9655	37847.88518	2920770.552	1547427.338	1103249.72	803790.5838	113523.7373	66511.4808	1130693.759	55816.2582	66598.75478	60470.0258	1366460.429	1050899.535	76625.4255	1752719.122	1119059.851	1167226.825	607304.7854	65514.72285	337393.1764	585495.6364	76231.85249	73222.85988	656649.8477	77292.45395	68202.39963	23135.97081	36244.89503	32739.29038	125938.0623	38420.52249	322926.0102	51555.75666	102631.7652	79707.79392	21843.28879	2883.572144	597229.8288	1245622.86	134178.7957	14074.02647	601437.3037	720469.3533	94850.2546	20377.26271	852939.5783	838203.15	79537.93486	21953.16537	669251.7039	604076.9331	540889.7707	4467.257892	673898.9793	56905.73131	1317112.664	4303.701496	439357.3533	532043.1513
3-Vinylaniline_C8 H9 N_5.884	6774793.064	8326489.21	7511998.849	5483352.964	4550529.787	6458284.469	4934538.156	6072501.963	6550786.738	5066053.863	4121406.559	8161878.886	7507899.718	6136052.806	5681626.117	5959155.928	7600399.87	5560669.323	6990697.708	7261872.727	7341880.789	5630310.63	5308752.383	5200448.075	5936259.451	4468471.343	4818324.815	5032055.073	5052812.638	5840657.337	5207410.132	7848689.957	6151569.851	9303457.363	6885378.897	5648317.272	6305845.668	7537646.029	8292672.826	6607240.824	6309011.941	7094591.817	10441802.3	7313322.646	4952866.218	5974401.542	8088693.866	7063922.594	4715955.853	5830351.632	7877692.051	6616727.09	6122379.786	6626446.662	6102762.226	6577613.921	4605242.628	6368878.965	6886889.804	6232111.711	6436376.007	7096859.956	6474203.689	5966641.016	5645595.39	4806382.736	8061523.187	5624246.465	7086261.597	6427013.634	6939578.509	5602054.707	4593553.041	7287022.767	5714437.638	5542705.528	6100786.454	6962452.578	7312507.733	5691794.577	6439279.341	4992142.332	6916660.311	5835558.479	4502398.444	6421238.531	4306541.287	4769910.02	5564448.956	4605081.116	4854648.335	3930550.124	5590973.245	4630011.527	6179426.447	6124822.89	7309612.198	7343766.542	7338469.862	5621003.316	6280144.121	6123450.895	6712808.076	4762308.718	5085414.694	7251850.277	5456947.022	5223923.728	6826211.122	5447313.252	4330263.518	6213422.221	19703.5112	6543064.478	6664691.205	6347689.687	18903.79219	5941772.19	6275919.101	7163336.149	16008.14219	6560702.891	6244845.923	6710445.712	17489.53621	6314105.036	5927295.078	6506294.986	24985.67726	6490284.576	6611245.04	7411422.708	24260.72802	5945920.956	6114755.133
4-(2-chloro-6-fluorostyryl)pyrimidin-2-amine_C7 H13 N3 O3 P2_7.987	3083138.494	3519430.527	4006837.562	2345591	1774123.517	2512193.447	2219114.963	4129542.179	3539761.831	1442822.995	1873329.982	3917821.451	2053254.867	2042148.834	2718166.751	1950417.038	3882517.951	1125420.252	2856594.183	3479266.939	3822343.643	4863235.48	2518733.349	2262521.361	3927986.464	2585894.393	2966757.858	4176927.935	3219802.558	5467092.377	3450804.329	7598991.506	4481848.748	7880843.021	5937344.804	2905329.414	5864095.464	6421958.578	4803312.419	4679053.639	5941887.792	3984966.136	7835938.75	4865164.683	4604002.223	5012783.866	7128642.615	3575031.239	1666922.569	4132202.025	5027786.005	3600409.018	3429816.189	4210142.11	4502367.845	4547505.715	2652458.892	5309731.178	5529924.811	7789712.165	6787508.525	3636558.144	4180654.371	3938797.196	6290816.644	3514166.591	5469172.834	2664709.845	4828425.991	3810108.327	4155596.502	3304140.316	3073107.163	6074689.078	2931303.046	3369213.306	5569097.028	6035823.491	7501255.636	5569453.125	4328551.266	3652096.721	6392935.49	3399235.378	2380740.235	3758908.517	2910817.188	2765863.435	3818593.454	2880034.841	3396534.033	1697680.03	3502186.329	3372076.765	5233981.724	2395075.695	6273417.405	4156119.609	5485247.741	3188074.861	7279225.078	6033492.517	9055242.873	8463715.814	10497172.76	11253918.03	9396851.262	5961747.774	9785401.421	12143346.45	8338337.156	6004026.148	107592.3784	5009523.832	4035420.499	3893616.349	88709.97412	3415692.114	4616300.596	5921629.81	71791.5811	4484559.088	3996950.07	5160646.189	73382.75867	3966209.029	4029869.066	4885381.246	80196.54061	3591409.59	4597992.68	5142756.792	133162.9028	3867708.657	4258576.887
4-(2-chloro-6-fluorostyryl)pyrimidin-2-amine_C7 H13 N3 O3 P2_8.207	23466939.45	25957923.07	26521234.74	19968876.47	17612188.16	15381998.44	20473001.35	30102567.7	21188396.66	21181424.19	20843259.22	22759414.64	25214347.29	20360304.52	17092838.48	16964345.66	22289371.45	18856433.11	17885943.87	28127372.19	24702099.9	19701029.75	18152455.8	18723728.37	23426546.59	11305138.14	24134177.12	19352204.07	24422696.04	27257499.56	3314291.202	19854058.98	17884607.84	26989707.05	19369722.3	15208517.71	17347128.93	20130997.27	16791676.91	17572537.31	16432077.7	18833342.44	20921120.01	16534425.63	19984477.49	9007055.856	23892679.26	25046477.95	21592707.28	21257105.27	30385964.68	26672868.26	26692734.86	21548209.36	25344773.3	23679759.45	19799390.46	21349081.75	20838767.46	25482955.06	22006802.14	23461738.1	23451944.79	27643721	25680165.52	19674602.17	26568736.68	19315250.02	23080958.09	24238828.63	23903981.77	27077722.52	19347571.73	27944656.99	27809994.62	23012376.94	18995104.28	23467108.19	26779709.32	21300923.93	23191706.13	23463724.07	26618530.26	21919349.18	20834031.11	23126903.12	22577283.16	25040096.36	28122023.21	21024552.93	26566456.24	22269716.39	25695360.76	23077091.81	26394992.68	20459378.59	24371294.94	29509130.4	26911203.21	21745686.18	33473624.82	25441293.52	14823152.36	21440168	18424121.13	20379748.87	18808922.23	10272853.23	19625085.15	14069734.87	13076135.06	7677261.857	137592.706	21012765.86	20352178.87	28654871.59	131689.141	21373834.29	19233471.15	21958003.72	114008.017	21655613.61	22624433.75	21804096.06	192656.9185	21988648.15	21521424.51	21262164.69	214584.2452	23537160.82	23716288.49	24759984.24	428426.3965	16190175.54	23621631.01
4-(2-chloro-6-fluorostyryl)pyrimidin-2-amine_C7 H13 N3 O3 P2_8.398	1323635.984	1528245.158	1251665.802	1374403.44	858178.9131	1216360.305	1432349.332	1700798.811	2407287.372	1263309.055	1774494.174	1216987.254	750188.2938	718080.141	595655.1434	642855.0672	834517.5157	271018.7427	1498720.775	1722359.583	820683.369	797257.4546	535809.518	571557.2072	1083632.812	887698.2762	1610335.036	1557165.893	1621442.034	1254696.921	2433026.441	3113503.702	2432195.046	3303080.47	1348058.858	1685310.268	2905559.711	2191528.813	2004149.562	727187.4626	2128793.54	8986495.698	5579608.85	3987289.337	6831038.399	2166950.096	931370.6628	916938.8425	774458.6549	663480.8191	1364980.958	851697.6096	1544728.54	1366753.638	1664814.379	1630256.144	1470377.483	1150118.74	1113843.157	1416636.522	1186289.351	1620526.674	1372504.114	1466679.955	1683584.162	733622.2114	948217.5681	1102965.147	519357.6788	1286839.524	1736649.13	851439.4594	1260121.239	902920.2877	1640027.866	2954455.294	1048266.58	1175919.871	1341323.834	1427465.954	1098002.561	1163786.941	1806041.822	1234476.635	998460.0473	1279726.804	1170732.308	837069.921	1524116.329	1379200.925	1821540.768	1336745.588	1568646.761	3078673.945	3015524.021	558336.4081	1482484.383	976781.8206	1665673.683	1517043.611	1062549.422	2014839.06	1393092.134	1058944.912	702328.7771	1034918.596	807686.138	1238251.152	1240278.52	953369.2637	1272906.121	1737211.477	186192.0545	1105946.749	904630.0743	638761.479	186530.1215	1433835.993	1163084.609	1320854.452	305727.8738	868093.6725	811270.2589	1516407.812	234398.8672	752926.5656	1109397.681	1037883.681	19224.51113	1013424.191	786692.0604	1084614.089	579310.4782	1166044.492	1157809.555
4-(2-chloro-6-fluorostyryl)pyrimidin-2-amine_C7 H13 N3 O3 P2_8.794	5695188.233	7082641.995	7295150.28	4535751.601	3110873.61	3619770.794	4510441.303	5797577.445	4998971.8	3463286.045	4057964.234	3747024.493	1784768.837	3171620.69	3909501.779	3069206.799	4030221.192	3539931.106	4767316.975	6104787.968	2654848.465	2674056.929	1887510.842	1889736.034	2693470.702	1751837.12	3235786.924	2830613.685	4181990.061	4303404.074	1240725.019	2282898.295	1431451.103	2305823.614	1608343.17	747043.723	937357.4034	1840646.389	1317395.383	1252998.042	1847110.251	1232139.908	1827553.913	1815800.603	1147068.964	923079.3514	8230284.161	7737839.732	4950748.531	4036357.908	6375903.767	5647707.175	4411901.842	5178281.465	5623655.786	4636401.532	4125125.548	4128429.651	3805069.139	4856057.731	5005872.76	4324268.88	4019214.901	5859879.25	5138341.176	1758032.539	5536210.708	4573750.005	6647542.524	6812028.433	6361535.877	6077093.875	5374004.508	6729848.783	8798463.172	5766899.658	1598954.027	5686985.651	6581182.644	5688560.714	4964140.837	6000192.838	3480810.315	5450554.985	4302911.835	5789312.308	5000714.811	5922974.068	5301005.632	4225704.635	5090399.709	4809065.533	7138733.078	4318597.135	5745980.639	3905306.342	5561024.915	4547340.518	4154851.382	2948072.918	4489612.232	4366870.038	718263.4705	1773181.712	1236929.463	1405103.474	1578329.105	754192.1442	748580.0972	1202614.73	1602407.26	948542.6585	239219.8182	3974131.281	3670998.454	4314288.078	234783.2694	3617009.174	4423687.081	3785504.992	494345.4631	3457314.636	4043592.175	4471138.29	14170.73522	3044262.236	3790389.817	4007212.264	16915.31148	4509808.204	596344.7842	4562042.28	26823.74414	3052249.945	3828975.677
"4,4'-Oxydianiline_C12 H12 N2 O_3.05"	10327263.95	9704317.532	9332449.019	9135325.779	13039311.61	13501381.65	11442541.88	9502524.819	13086648.53	13029147.14	12661813.83	9432772.99	10128093.21	9442414.46	8796282.375	9030404.304	11872059.87	12076406.78	12572874.19	11490230.4	9174574.483	7240257.569	7308222.334	9812451.933	12031725.79	11440165.68	17117487.93	14982465.49	12846699.95	11942683.17	11017398.4	9473282.734	9310063.026	11556581.29	9924336.54	11056756.49	11015393.09	14249952.8	11182749.51	10875617.75	11739148.87	10645890.09	9338629.987	8924742.032	5793385.848	11448717.88	9195116.496	9896534.293	8779558.155	9150905.289	12238693.47	10491218.76	12485714.51	17273053.72	8307691.761	10345359.62	9527033.752	9113851.345	8155137.441	10281141.97	12100062.2	12425845.45	12618700.86	10482352.77	10594141.66	9614455.187	8914419.207	9805076.807	13771569.19	12947749.72	13105627.63	13367038.4	12667298.17	11338733.82	13350626.82	12160812.51	9492108.237	10355474.89	10178765.54	9761817.251	9355903.196	13007392.68	10602663.77	12251820.04	13340762.53	13413415.88	8405157.264	12806648.96	12984970.71	13359106.39	10757290.18	11431514.9	12379703.76	11442223.22	15026662.97	9894550.231	10349929.61	14671002.65	12302300.91	9700024.799	12862197.62	9628591.917	10126733.41	9779690.187	24898192.91	10084223.96	16644721.16	11665399.55	13625834.94	9676983.545	13353097.47	11632538.41	3637196.671	10566780.31	10229295.74	10242024.15	1175343.525	9172428.572	17336180.36	10328808.32	450294.8648	8290686.514	11463726.67	10079138.79	1365398.623	9950696.673	5962732.105	12948730.41	1429677.486	12167953.4	11231515.2	11446416.18	951544.7432	13116007.64	8179315.565
4-[2-(2-Nitrobenzoyl)hydrazino]-4-oxobut-2-enoic acid_C6 H16 N O6 P S_8.155	53231567.79	89830442.6	90424931.27	45423342.61	32631626.16	25429374.17	57993188.97	132013988	21450634.17	50694837.32	63164422.53	53588320.19	52269881.27	33914827.45	40688140.02	29336898.95	32963957.04	37370519.19	52357323.12	86654315.57	48164798.79	18347589.97	19253348.08	20318693.92	27486433.15	22426318.72	27760375.21	29208679.62	41155351.99	46941868.24	55982335.65	60929908.2	42176776.36	55543414.71	56968067.78	37853107.04	49892101.17	40770858.11	41356516.78	28306586.31	90722255.55	39506671.69	54044986.78	44178826.84	38004383.02	32741108.89	62178889.76	55839802.11	47364928.79	45538181.66	64771898.85	32365544.91	57030662.96	32043749.11	58156358.83	37862186.33	38890709.13	27439251.37	27463134.32	55555269.2	50903859.13	29206089.18	46205268.71	67605249.33	72428308.49	30113326.25	62458634.13	47154406.79	42663410.31	85474399.04	51872375.89	71792377.51	32286828.05	24839150.68	88221724.18	37259895.09	50420837.82	71036944.93	72906014.59	43252595.63	33460338.08	47253432.58	79233476.62	59011699.49	52118194.7	72027243.53	31865477.22	50850292.18	77654550.74	34330645.35	74416686.3	53009057.46	85108381.23	25424044.9	56803751.53	42851756.7	37938108.71	39023525.1	57542536.54	27569956.16	64915824.46	51655842.21	22370104.67	27330622.9	21468858.72	27378989.13	29025577.26	31084772.79	21920807.55	31749350.51	20596407.46	20139814.32	12260.63932	42196563.69	42043198.74	59957493.16	13545.56106	39799368.51	41621135.07	54985740.82	16182.68078	34328934.82	29953568.71	47592591.25	19898.44039	35875111.67	60107656.05	49141287.78	18749.86307	50623479.14	57806786.81	21896560.74	41996.1889	16926194.04	103682541.8
4-Coumaric acid_C9 H8 O3_7.031	39475784.78	49932371.15	40298148.04	31793395.42	25578360.07	32254261.58	28084601.88	30822163.65	42013010.2	28160424.47	24259853.58	48458008.51	40347775.36	29606837.35	37420837.92	34501315.11	45655005.82	31254873.28	34499407.58	38461078.93	37088226.51	35595448.14	27624422.66	30002699.94	32846856.35	21548240.41	26483599.23	25941055.54	29936321.76	30554291.91	28815764.49	48552440.34	35435770.05	55800136.9	38745908.41	28837225.99	33624205.61	46720377.27	48173168.45	41679347.7	40019107.79	43720683.88	63625107.31	39866085.31	34372595.97	35888292.12	45162014.81	36055074.76	22717248.36	33164997.83	40309902.44	34866283.57	34222071.39	34046780.79	30083631.57	33510320.1	24296781	35226571.21	35506975.41	32216176.27	31229643.49	37861516.61	30227783.39	28119250.36	26674309.75	26944866.59	44321803.38	30763722.53	38265074.41	31856289.32	34612923.13	34488402.12	25254249.33	37241417.77	26521944.73	27904355.75	29242469.18	33668995.59	34868876.19	29052869.67	35003458.43	26445477.8	34979474.16	31121525.25	25250929.84	32433281.72	24196843.82	26391484.71	32519828.3	22955015.71	27189006.91	20031961.59	29332569.33	26467171.87	37351314.22	35309875.44	47093648.38	47953818.5	45547978.9	33852912.92	39238779.56	31272241.82	32760130.5	27050883.26	28969100.29	40434409.62	26925812.13	23518014.48	33443845.79	30638820.87	24470169.31	35430633.23	132744.4994	35382424.85	34657158.35	33842732.8	115868.1103	32993593.39	37099908.74	37734646.36	147654.1268	33244079.52	35109564.57	36470333.01	82429.9298	34756072.84	33004008.99	34784595.4	94939.0369	34494234.98	34185191.38	43037374.38	69407.6859	30493911	33020594.22
Acetonecyanohydrin_C4 H7 N O_7.431	2481567.44	2847399.739	2437247.139	2191937.051	1887886.18	2051398.558	1556276.004	2091513.768	3671165.307	1395065.482	1613596.876	3318933.376	2753477.878	2050729.698	2335407.63	2254552.267	3428906.484	1978197.16	2619277.899	3342402.922	2419460.69	2237366.586	2130700.505	1909650.362	2521816.12	1521543.991	2375529.227	2537987.164	2771881.424	2260151.122	1636562.246	2766667.399	1802551.433	2674464.922	1540700.762	1048597.637	1281900.954	2145591.656	2215354.846	1800481.827	2282216.784	2174344.25	3111686.643	2411299.768	1728221.914	1129740.505	3643656.272	2937545.545	2364634.648	3173557.869	3019579.2	2366560.572	2771965.075	2292449.129	2054582.541	2636608.439	2179961.106	5483262.477	5448997.213	5391595.459	4374535.305	4262906.13	3196879.425	3932213.118	3339121.802	3236493.04	3338072.115	2215336.249	4338921.916	3599283.215	2918927.545	2551272.12	1802227.057	2143281.647	3384781.284	3432492.689	3760372.514	5015786.57	5429781.983	5041340.699	4702532.881	4416179.325	5065104.252	3027642.467	2554233.729	3349082.63	3093586.283	3166888.356	2873758.962	2796055.354	2800006.293	3053250.407	2222565.836	2830271.729	4733577.898	4354190.406	4345978.438	4983681.032	6482218.649	4449381.433	4308902.591	3571579.692	3339944.059	3673513.368	3393065.188	4942369.331	3965908.526	3372229.184	3283598.993	2756257.674	3661891.082	4559376.695	13394.248	3002568.507	3225911.671	3039263.475	125112.5383	3104475.291	3274237.75	3193233.599	11667.89319	3273945.662	3625487.855	2908050.259	168916.4449	2605114.922	3180332.44	3433641.341	172917.7184	3639323.053	2624878.416	3022286.897	207287.8034	2558026.444	3744057.066
Acetoneoxime_C3 H7 N O_7.597	1710701.825	2054639.378	1658122.272	1438662.999	1106638.213	1174378.752	1123489.044	1618076.25	1957531.846	1438257.08	1036170.051	2285823.572	1830684.978	1575959.085	1683364.963	1548419.658	2108724.389	1195172.336	1751374.051	2276680.91	2296585.977	1619851.029	1192630.33	1295788.387	1566432.143	864376.9441	1220134.694	1297448.368	1475040.643	1491797.241	1322009.955	2646722.458	2216663.445	2642521.609	1848101.271	1208792.404	1569871.151	2551147.771	2431786.058	1998902.032	1949640.061	1545916.352	2094114.25	1579852.656	1317027.138	1094041.086	3032578.258	2067233.384	1240951.847	2116349.988	2410682.336	2092144.445	1978774.829	1939934.599	1768648.597	2088187.123	1490411.521	2381302.594	2432948.492	2616558.336	2583500.377	2385432.418	2073280.399	2212857.954	2326812.771	1584645.56	2630168.11	1662899.408	2274613.309	1751736.934	1653648.343	1662717.63	1461724.492	2185747.074	1461556.906	1548191.62	1760008.481	2431572.151	2546357.009	1920858.311	2122395.122	1643666.132	1690984.975	1712974.893	1902140.41	2754063.205	1936751.467	2362796.915	2810930.501	2041692.584	2106709.587	1678210.714	2453899.104	2486173.716	2634828.632	3255852.993	4908187.447	5791023.519	4374241.969	3368140.627	4293720.619	3529043.312	2426955.479	2361292.016	2615341.033	3294208.521	2509534.516	2186656.842	2801270.729	2748003.401	2205989.544	2538433.261	8482.664129	2240652.997	2154916.723	1767673.896	388399.369	1918990.404	2440705.727	2330155.9	6955.507697	2070589.265	2149973.251	2506481.342	12160.97956	1986163.067	1928733.923	2002280.646	8073.910681	2206166.708	2003814.869	2383319.494	426087.6264	1873464.678	2239905.217
acylcarnitine_C23 H45 N O4_2.408	733202.091	1273105.528	1631693.565	1455658.254	1054000.024	842959.8711	1129885.683	723421.7082	1303496.623	864444.8252	1233258.119	1346003.654	1631734.065	691849.6029	1059353.023	978357.3486	889472.2814	821596.0285	796383.3244	686150.1604	56729.87611	45848.05787	31968.01099	45053.67456	35810.61602	32802.91397	36442.41342	71412.79922	76993.50459	45716.87318	2484804.29	2484151.395	1308445.325	3529656.74	3017048.942	2660136.645	2595365.274	2875827.02	3266185.163	1987676.303	2384671.002	924205.596	897137.5162	549768.4015	380972.5226	540702.8296	937637.6452	1132684.64	1312640.149	1074670.408	1365523.91	1174369.876	1227307.248	18794.11994	1400028.847	1495650.095	1195395.375	640513.9678	631439.3247	880538.1009	640164.4312	752007.8455	1498334.805	1615154.296	897028.7607	909817.3941	1321996.972	1062969.717	830215.4122	835777.199	1028243.178	709355.3171	733047.6105	1105002.165	1352721.456	933817.9561	895093.4858	748956.9822	1262494.932	949728.1783	583736.6498	1418444.617	1011127.416	702513.5776	819462.749	1522375.668	1420373.863	1671692.706	1109653.929	1166230.668	923511.1954	1181204.408	1023297.851	664272.9159	1561301.741	1322623.607	1608509.343	1098494.827	2212629.3	1002763.38	1545234.805	2326862.554	412803.6525	60556.73981	180797.8941	298417.591	65356.94123	209109.5523	351641.2694	222766.613	37669.29851	584507.3766	7552.358453	1080991	1116281.512	1066219.431	7079.726375	968965.5213	1039549.961	1197820.147	5296.197545	1120218.518	997881.7708	1118937.635	7541.187634	1056706.283	1044610.991	1045128.081	5560.639016	1057198.165	1178820.963	1190092.688	5249.538803	930341.7438	1055569.227
Adenine (Probably in-source fragment)_C5 H5 N5_7.969	1023802.256	4803724.953	5536510.876	3732362.111	2931876.15	1664844.582	1892854.939	3821419.767	3706597.235	2855038.878	2834173.136	4199770.908	4563897.943	332133.4768	4412676.306	3757036.338	5403402.2	3790710.863	1465501.72	3970708.889	645275.9906	4906525.837	4139122.957	3871293.066	4970269.328	3905580.717	3919548.579	2623526.735	2393629.471	3170626.978	372623.696	2788691.429	1565592.07	3020786.983	2332106.401	1216558.432	992748.021	2436283.451	1841187.773	3992762.812	2826647.718	1317508.174	174780.6784	4189303.635	1132820.371	322815.1236	5135261.612	2511150.582	1391091.39	4119577.147	4534467.544	3065112.91	3839088.522	1944774.099	3094150.181	2741799.157	1897613.243	3996716.672	4838537.7	5850004.771	4429251.415	2839398.275	3094420.546	2805758.822	2691537.257	3985768.911	4380718.805	3790968.149	4284012.864	4029771.239	2701156.306	2705420.982	1927713.788	2835926.199	3662770.606	3573627.862	1085406.715	4869291.742	746696.5027	4640162.417	5089147.239	3226274.597	3155564.488	1901558.686	476705.21	4312499.8	4010735.61	4374754.287	3581008.823	2372574.127	2560893.313	1790922	2988078.197	2663809.809	4409936.119	3183942.12	4286883.654	5333282.961	4288149.924	3820342.572	2736463.815	2271380.574	206480.6031	670858.7359	3707570.31	3482985.442	2221585.313	1811673.999	1568265.594	2042446.262	3669048.993	1919723.674	12361.74084	3996266.175	3729645.199	3394171.525	45494.64348	411589.9548	4363436.927	3869219.205	32541.6311	3895863.339	4522772.438	3211893.785	43947.12154	3167454.923	2006339.481	3244682.793	13156.88303	3733800.978	4136137.967	2725009.245	18108.8968	3252260.937	3902080.171
ADENINE_C5 H5 N5_4.921	61772610.63	59898785.26	58560069.73	32571167.78	28945975.52	42497069.56	44804458.42	39641835.09	41533417.47	36879752.91	26827708.69	55801268.74	49374675.94	38812902.69	51311674.23	38643737.73	59957728.55	37362016.3	42074348.33	49885590.79	47481842.41	54885487.13	34136637.64	34763813.85	44618506.61	40910740.51	35796893.05	34589855.84	44865088.61	38774599.84	34938723.29	47322599.26	26788839.13	69271807.09	43625533.81	41775742.21	37274389.91	50338016.44	51883760.68	56735069.51	51199110.5	52811474.93	77363475.68	40459610.15	28819251.29	44789088.26	52624733.64	50709049.16	29014904.21	32153545.13	56400843.69	44465683.55	34970019.86	44656777.5	36371011.23	42053555.41	30911186.13	45767036.72	47934361.4	41836471.06	51511131.25	68681914.71	53261119.41	44806840.31	45693431.15	31210687.76	46343795.93	36447163.84	46602701.41	41655842.43	51047116.55	46426586.67	29406384.61	47967688.35	39643190.34	39167654.4	52465321.6	54715112.98	52527793.52	33937965.91	32886919.12	35527663	51815007.67	32655312.89	39742339.46	56425258.89	34843140.06	45273548.88	48638506.05	38289677.85	38787620	33306577.6	55057252.19	31816288.07	51953092.17	35415322.06	51343456.34	54533599.89	40768510.16	34268397.88	42201126.91	36656613.64	45815827.48	32992576.24	36224621.05	58140893.58	44708553.48	41288317.56	55423713.03	37151770.33	30319855.09	40235473.5	19888.34937	44648919.07	49332004.54	45159979.14	15048.33744	44953604.36	43331768.87	52055607.39	88370.21146	44095911.77	47105053.77	49650143.51	17824.40411	44611662.87	38978831.04	46414237.21	54456.15099	48803359.37	52105217.94	49447379.69	75379.51934	38482170.11	46128898.56
ADENOSINE-MONOPHOSPHATE (AMP)_C10 H14 N5 O7 P_8.025	376467.7609	509515.3502	489362.1356	426175.9206	265756.8447	277094.6041	398919.1818	751003.8262	359810.3234	319735.9888	273416.8934	427315.4942	456090.0028	424095.6983	501904.6773	290385.641	526843.0389	280672.7618	391760.3122	558716.3041	525796.753	321871.2616	347851.0004	299479.2769	314581.1432	193398.2833	500844.1541	908225.1576	524620.9308	597653.505	1784555.159	2146607.23	6146409.969	1539222.407	1203590.258	1177097.063	1128762.252	1907706.544	1013896.858	5517813.692	692171.4998	10639764.33	16356804.22	11144632.07	14858164.11	12659766.6	448922.3707	601965.8925	264537.9747	341706.1072	379192.7525	294512.1007	407293.7248	248266.8769	275795.3273	307312.8211	315682.2975	280068.9445	284078.9648	372464.9358	250417.717	259657.4811	336384.2887	326284.6652	330761.3338	287515.432	346478.1983	296486.3365	374304.1637	381673.1234	274757.6734	434093.8798	274239.3633	427188.9934	542275.7731	317656.5452	429336.7449	432774.0716	528465.8947	219734.4897	331796.0203	261666.9907	425950.9826	493461.9517	363368.2823	391631.0896	358747.5476	350142.5357	323453.3241	277276	619915.9554	338498.852	490142.3157	217434.1384	313134.5914	216134.1023	246040.8585	294787.5108	289693.4111	214026.1976	320549.5183	314538.0948	2611910.696	275828.6965	735576.6561	1135890.958	247955.6751	583530.3983	2836139.964	865934.2704	243123.2344	3113925.323	12077.4575	991850.8812	1107407.068	1026806.26	10134.21257	1013334.066	964270.4947	1128372.856	21918.90014	958638.4856	1117182.496	1102875.771	18304.3853	932832.1042	1013148.726	881532.3777	27202.01158	1043216.044	1516369.702	763939.7475	29166.29796	684955.8455	1297634.754
Amorolfine_C21 H35 N O_2.494	10744.7079	11444.86006	11125.1003	9884.259367	8201.012941	8885.878907	10659.9533	9800.855348	8944.331609	6848.471354	7974.283857	11934.97108	10684.41271	11068.78837	10910.47628	10427.04496	10163.37783	10037.47243	9058.873038	9043.149615	13330.58339	10876.35102	11101.82733	10714.46837	10211.47578	9549.414574	10274.21042	10328.03205	9578.530432	10569.68396	11134.06123	10269.21215	10042.39556	9732.178797	9058.447334	9510.746492	8102.578259	8674.049632	16080.56859	12198.87404	7580.676259	11529.19914	13795.62351	9606.517029	7221.368466	8002.434539	10931.81953	10913.35877	21726.90379	14097.73509	10870.02845	15503.00495	10521.71815	15381.53254	4127380.897	8879.813584	8386.254026	11778.5555	16075.93442	11923.14565	11365.51955	15592.20372	16022.79853	10743.66035	30738.71478	9817.416122	9604.11752	9759.560235	9334.718424	8877.077524	8610.086878	8412.797444	10974.40102	8597.999706	13477.86267	7426.362636	10459.63102	11382.76254	11213.43063	10236.55328	10200.72326	8757.516042	9803.729653	9423.074947	10386.14742	11106.09414	9132.587886	9517.877189	8610.710592	8668.881577	9179.308774	8617.989093	8813.135988	7851.823547	9322.131068	16211.77767	10350.33704	12259.77298	9859.994982	9507.267665	9490.527362	7755.571856	14200.35153	10432.8277	10827.47031	14296.33815	9752.738969	12993.84747	10156.21018	9577.046025	8539.281167	8322.728347	10392.73306	28015.78648	27343.36246	24692.11162	10866.37694	18384.47575	29041.40875	26847.72824	8160.148207	23895.02758	29587.9188	25082.6034	10677.20758	27019.47718	29830.80334	27156.56092	8383.607497	18487.73641	22643.25195	31284.58207	7292.16821	24318.80073	26151.65111
Amorolfine_C21 H35 N O_3.517	17782.22167	14795.57148	15684.01678	15820.11173	12966.62049	12196.38308	12961.72324	17217.18609	14407.86868	12110.89279	10521.28001	18664.56372	16735.47769	20582.90618	13824.0114	14301.40282	12188.8336	24125.86356	13472.12979	14462.21087	15824.90817	14288.36341	13215.69507	13160.01165	12354.94924	12414.458	11451.31985	13445.31375	13834.28781	13292.60856	16581.12313	15437.11452	15203.03503	14348.92394	13818.58211	16010.09682	12067.43806	12318.1351	38444.9873	14036.2654	12735.01793	18561.38809	15538.05329	19470.04111	9703.660919	14419.47503	19628.7144	27958.33292	18313.27394	15111.88784	13682.30544	12491.06532	13835.59045	28490.46197	5867026.683	13701.87496	14104.6891	14345.12824	13757.89017	14150.1346	16812.54635	23661.53515	12804.05422	19734.09484	63882.77002	14930.95542	16223.12735	14143.35327	14389.11331	14731.07939	13082.76488	15536.46747	12016.97015	11766.10733	12944.16271	13622.75377	18192.0643	17535.9469	16633.63265	14116.39473	12586.59772	13998.26737	25115.03946	13927.33003	17357.08122	19522.10489	13329.16895	13785.90607	13042.03306	17711.58413	29487.39695	18627.67729	15540.22835	13111.50117	11880.0538	15270.06656	14198.39511	13741.79064	13222.34572	11986.9508	13643.95916	17178.84322	18584.37804	13899.39281	12917.88227	13609.4983	12731.04725	11602.26517	12447.22174	14790.67761	12949.37685	20816.80204	20831.40797	42697.86495	46841.02699	45814.62406	15840.25196	39646.11422	41249.40439	51328.49558	10361.75582	45088.70677	42340.38	45777.91748	11195.97041	43530.10826	41703.39286	46168.79761	16577.19104	39108.16191	49488.99587	51769.46819	15283.69567	33119.12668	46004.64193
ArachidoylEthanolamide_C22 H45 N O2_2.353	235288.1628	9226908.55	78070.45771	84272.73772	36623.24966	38999.47996	128711.6493	52632.07095	26738552.65	42751.16045	48368.18315	125279.5662	173266.0338	96045.20781	110950.1798	181049.9556	134508.225	691117.4519	75624.12698	90651.5176	217443.9635	136257.7229	150512.174	125065.3203	113963.9346	130384.9721	110926.6497	126179.3147	123081.1219	144038.5269	472167.3621	61679.12959	80239.78803	70699.59546	965726.8956	49579.38931	52335.91866	46400.08083	45086.81872	45951.83256	56120.53013	118734.0214	139930.7838	88410.46387	48351.22705	152985.7854	86632.30881	66773.0103	61962.91149	54002.75836	63226.71437	69283.99086	81814.50365	555051.2814	41893.06242	42544.74248	41476.62981	87370.37559	630480.9685	83666.26604	77946.77424	72382.00663	685586.3539	75585.33915	68469.66486	61050.359	111422.4477	57645.69663	66037.44087	52786.64158	49208.18346	78545.96586	40024.43854	57898.36342	49486.28974	47781.31529	88117.1293	113260.1587	124482.441	89623.87501	138958.5239	75469.87689	82714.20093	157822.306	64347.97726	77832.42444	53387.5201	67455.30133	48919.61854	54815.13363	48249.45809	54013.54069	50688.30809	46560.14758	62395.13081	2634670.344	110851.0555	96645.87466	82132.89227	73705.11245	451858.4935	73735.8567	148532.4147	137846.4289	127654.8779	172793.2136	107229.913	144787.136	140570.8244	110895.8906	114056.2431	114097.396	994331.211	320497.2043	298847.5566	287757.827	2453312.556	206792.511	203104.5269	324685.7915	1923097.819	371188.6251	272498.8457	291348.5097	1631112.842	250618.8719	253474.7202	373160.9078	1437455.113	296933.2094	264522.9146	273693.3766	1472331.469	227708.7258	316984.4653
ARGININE_C6 H14 N4 O2_12.059	23609562.04	41087336.28	36526710.89	16430042.03	20044003.38	28041091.83	21527041.8	21666290.52	20690240.3	15310148.41	14567718.86	60150565.97	33249467.82	29012375.18	15862995.56	21698855.6	17312142.87	27786927.98	25232058.45	19498734.77	32458179.64	8022467.913	23352043.44	18452510.26	26192850.78	26945684.24	21122097.48	12122517.83	26672801.32	23233409.23	21971954.63	28252244.91	21408522.87	35059044.26	20313278.76	27997220.96	21504782.97	19545777.34	24740347.21	19829963.75	18379184.76	55933040.06	50443554.87	42714969.01	55928776	32687258.71	14911258.94	19681033.73	15129609.29	16548763.83	28383792.43	21310899.62	15262604.95	31523680.3	19631000.74	22231341.65	14544895.36	23686024.73	23031518.71	26182120.71	16628527.23	29529335.28	15493218.66	18250567.55	21262888.36	18186972.71	21360255.07	23366536.29	30897608.81	30691257.88	30002124.91	32962584.38	23216900.92	21695085.74	21971156.88	21705552.54	25981.3694	4128688.025	3859097.876	23039099.04	25811393.25	22266779.39	24386189.44	18168607.4	28685773.5	23781539.53	21617851.82	28893357.06	34025537.28	28056769.47	24663830.64	17996458.98	27547553.21	16779848.53	21234937.8	27755618.64	29523198.47	36544525.32	30127077.97	13831321.06	20895459.68	21573548.66	34304443.87	15412297.99	20948170.16	38472476.07	26997403.39	21416360.63	46330847.49	29814424.01	13987331.66	25701642.78	55051.18614	26354214.71	14799481.59	31594263.5	270832.9782	30632071.24	21801765.71	21930060.57	56531.52919	21540899.19	26812533.98	14677950.03	75781.49236	32964703.77	27531143.92	13412712.92	41763.77632	25308948.36	32405861.81	36814935.41	27423.40894	16196073.85	19107823.89
ASPARAGINE_C4 H8 N2 O3_8.039	249450.1995	478650.4917	419516.8024	213451.3635	221828.8225	116015.7994	263342.5223	343826.6644	101196.4008	230270.7487	224073.4714	332160.396	387794.3911	364867.4579	262055.4377	231654.8083	387694.7144	252309.3033	284393.4243	459085.0888	2795250.162	1043600.447	1400024.382	1629241.209	1546355.441	972924.0214	1618544.406	1595990.013	1931174.763	1775608.139	756452.8331	543609.6868	635099.7856	786422.3235	555817.0366	686469.7639	803791.8638	431190.3994	1035595.334	565136.6799	934602.2066	297605.8112	556983.1345	414434.2145	298802.0525	245761.425	267160.392	327349.0871	182510.4027	306790.4261	222208.718	240497.3294	210023.523	151315.025	229477.3971	205062.0333	230300.3795	306841.5028	245401.8265	248960.6142	228386.129	279804.5229	245040.7541	327806.1227	330051.1424	192511.8907	323527.127	197320.6422	275489.6488	234270.2398	247746.2843	286984.6802	192126.8901	209888.8485	317832.9417	106567.0927	293785.6203	333874.4817	365937.4441	273637.8401	257163.3296	234229.69	176713.2912	389367.4104	314048.5914	732814.0494	225274.1778	212985.7691	233120.0318	244086.2669	281588.7838	329168.4835	347687.7418	58563.63251	212400.1321	496404.9926	483470.9204	397743.2795	404714.3159	321250.2765	393800.822	555284.5441	1375708.459	1108446.028	1386141.751	1871299.832	1103584.852	643910.0328	2063486.125	2164421.515	894840.0613	1044785.515	61016.14738	518928.3753	531225.8071	673577.8633	12923.25071	547648.4866	512795.3998	535253.3145	11800.57241	505753.4461	574344.0284	578451.4722	27794.53521	537363.6918	514130.2312	556302.5812	17260.56085	599166.7457	778464.9432	380006.359	32560.2784	281595.2955	793307.3519
ASPARTATE_C4 H7 N O4_8.415	11330318.97	16515258.72	18575637.87	10371196.98	9400631.108	7302004.421	13640184.31	15917580.58	8288484.485	11029553.9	11572486.48	13711289.51	15414791.61	15216689.81	10113209.41	10539305.93	15085390.44	12226111.14	15481259.71	18591779.94	22568355.22	16710433.15	16642211.41	16406904.36	24064017.18	10310009.24	19256020.81	12423517.88	18703889.28	29398448.35	34049391.36	28770113.11	29227316.95	33920365.63	20733194.43	20067343.1	29677491.83	27729649.3	25391817.91	30011091.25	39050477.83	59266815.7	86714774.84	42785537.87	29333821.96	63633913.19	10672622.52	15079289.75	8460610.757	10426056.9	13610424.44	12167655.85	9481531.456	11077138.78	13358180.58	10721040.56	11931136.48	8943414.91	12997941.2	12647759.82	11037890.24	14695566.91	11147254.06	15883095.18	14910398.68	12397209.24	11645770.4	11527207.61	12926551.36	12956580	13850153.07	16645497.76	11810715.72	12517267.19	21019770.3	13996782.96	15163775.94	15345870.35	16138506.03	13596006.41	10436106.26	11631034.05	15243034.22	14977216.03	11903317.28	15141779.51	11157755.93	13506761.09	11773414.12	11131355.88	15392593.76	10762903.06	13804770.22	6827209.832	11876253.85	18133097.27	19977421.74	19593883.39	21047575.5	15601921.36	17031407.3	23985978.18	30044529.84	20002858.12	20704010.64	31286876.59	25399815.25	11214299.07	15952208.44	14072342.8	18733559.58	20068294.49	54379.88133	18090765.83	21172466.39	15635176.94	179530.0591	22609012.83	17867577.39	18725037.58	113396.3225	19030443.1	20600930.21	19053733.61	179846.3118	17119826.67	20089808.52	18880576.63	206012.4546	21712765.7	23261611.7	13324510.26	174863.4399	14417592.09	23824299.64
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE OXIDIZED (NAD)_C21 H27 N7 O14 P2_7.954	3457117.961	4241094.297	4602910.443	2824040.326	2409546.01	2324293.966	2779462.542	3707595.333	2736486.321	2521368.35	2977126.478	3530679.611	3386502.909	3268794.785	2703041.033	2271493.061	3279075.897	2858235.887	2686356.465	4328510.071	4437407.989	2507690.058	2853131.735	2933552.542	3538883.645	2445196.513	3602747.797	3132663.54	3322872.074	4266071.698	2044336.849	1621988.746	630954.5217	2211927.118	2389298.343	1614390.715	1115856.385	1555621.636	1156616.379	970537.0435	2354752.398	206029.2649	787736.4773	432576.8644	215081.7469	60032.37907	3369459.465	3098889.199	2437323.56	2600796.18	3263471.618	3000610.727	3159595.394	2806393.253	3104748.958	2713585.841	2610387.052	2574605.869	2768451.057	3547507.229	3275775.037	3309286.183	3481693.692	3754672.043	3051031.111	2107887.609	2381695.407	2347370.116	3187118.969	2667093.898	2939860.465	3079987.162	2560017.828	3212066.937	3411161.205	2577809.976	2812595.489	3824035.136	4231137.382	2795046.137	2899853.572	3091028.087	3448693.88	3098434.743	2672255.075	3267472.49	2706143.754	3865839.496	2838662.785	2572457.859	3511246.351	2523472.274	3686587.862	2472906.772	3113223.626	3151509.58	2893180.202	3394144.715	3147177.875	2822122.58	2890916.214	2964428.422	2139467.242	2716307.393	2403604.325	3370955.495	3521870.004	2614667.382	3454185.979	2764881.972	3653981.396	2125422.971	9107.021032	2758468.665	3145124.475	2665228.63	11266.05969	3209523.027	2463558.25	2913808.85	14351.84769	2857113.381	2793505.421	2925814.96	17724.89827	2572281.112	2705976.463	2946497.606	16634.47955	3239341.23	3367099.698	2950073.588	19118.60765	2325500.32	2811840.307
Butyryl-L-carnitine_C11 H21 N O4_4.928	5758804.594	6610081.741	6370306.588	2973736.841	2583544.724	2929103.394	2714730.077	4560114.146	5134457.454	3742383.209	3395750.563	4338561.653	3766799.688	3604419.761	3341724.961	2718011.58	3496505.8	2530721.474	3127487.405	3566517.782	2332357.192	1555970.81	1074227.438	1400921.518	1233916.308	1477090.704	2410721.829	2718436.402	2889546.368	1405363.912	3859507.142	4670232.044	2830465.63	3799242.091	3611769.873	2785708.006	2459528.588	3200969.378	3051166.098	2618460.771	3253353.675	731035.9881	1505561.568	1178696.786	359360.0278	226886.4165	8455557.485	6339362.317	4576944.116	4335496.119	5631454.097	3719003.826	7061764.265	4080364.729	4901010.275	4766012.401	4118537.687	3574484.999	3158737.189	5558195.653	3932049.662	4397621.364	5051081.818	3364796.127	4214117.599	4393587.601	4541508.841	3632293.107	6629385.382	3873364.797	5606493.153	4718345.127	3020394.083	5779662.544	4352012.425	3736119.321	3471134.225	4235868.786	4564514.563	4300092.255	3294779.944	3225235.706	4056135.164	2787810.706	3169583.592	4304841.159	2783791.057	3345067.798	3045558.226	2284079.191	4234551.567	3067131.056	4568272.389	3104255.722	5396138.167	1956656.96	2909115.507	2593085.133	2220702.05	2007732.782	2585840.44	2036757.741	1118074.353	2203462.47	1632560.996	2061112.246	2508426.566	2341679.49	1707120.804	2132157.085	1814600.901	1007626.033	18268.54556	3637773.288	3230843.906	3493716.84	15682.20459	3486474.031	3559954.779	3839237.764	73255.86569	3340591.157	3236736.875	3583305.537	64658.64648	3619119.142	3582531.443	3314617.409	70552.87496	3530017.29	3799657.382	3683943.27	86893.07078	3024311.124	3545219.708
C H Cl O4 P2 S2_12.988	6659113.156	7227911.207	7649029.441	2895574.27	1336855.658	6668839.989	6739572.288	9734633.53	4231525.98	1940527.197	49559.40059	14097.88355	6409116.553	4809438.863	6576213.248	4890571.039	6055371.224	6524795.273	5312041.123	17128412.11	6497338.213	2221055.208	5751417.6	4769027.19	5983213.998	6153174.358	8870450.603	1848350.141	9491045.581	18135746.21	4140082.128	3603605.28	4570776.764	3286250.365	6456201.987	14791875.55	5671207.936	5056151.465	147001.3317	4507905.037	6507140.484	7199932.529	5001642.877	8590497.757	8401327.618	1185502.962	7221312.311	5536829.493	4766079.217	4656221.761	8126530.744	1948106.009	4880972.535	5014531.543	7407764.836	8976134.827	9627667.991	4899561.591	4879427.439	18713.78858	6416462.52	5725419.867	8769557.139	16706149.39	6829259.323	3423309.299	5619181.367	799941.6081	4117653.578	1621884.618	10997810.07	6084688.492	6921494.637	16455568.87	529609.937	7873196.275	8418584.22	9553623.88	6206442.73	157703.0728	297659.7782	8283684.544	52300.2145	2747285.531	8149492.629	5835569.643	4359345.139	8877439.076	3793557.238	925427.7193	2155224.334	1205605.389	1718759.157	41883.08769	6685325.023	6721313.15	3672533.307	5971270.227	3752541.946	784513.9166	5608530.992	16072976.15	5980082.586	5722711.428	4685934.805	1228161.457	5899187.988	3780251.376	922066.2495	11086647.34	152464.4442	5828419.51	14348.82237	4689753.744	6370379.446	9432109.468	18928.32833	4466831.957	5282570.107	7079134.134	15824.94659	5601369.418	8740022.665	8147638.171	22386.81573	234767.0099	935745.258	6576854.739	39524.55981	10084871.32	7645060.336	46934.66776	42590.46384	4621181.6	7154714.66
C H N2 O4 P S_13.102	60780015.11	61742674.01	65024844.2	51530564.92	36593430.81	68728551.25	48033174.15	48368291.27	82636755.62	40043615.7	46154287.96	83688651.48	52739939.63	27237100.06	46801380.82	41301009.82	57334210.85	38289479.12	57988964.15	52860044.08	49979044.38	83055999.2	55348059.49	54645010.86	58724533.7	42816934.41	45518958.18	45667479.57	43529857.74	48908142.68	37316730.07	60943594.78	35698756.72	74961778.24	47161302.59	46898403.9	37728378.69	62955224.42	48868727.95	52894012.26	50577974.5	71740752.59	111528605.5	52980805.92	61735210.61	59105642.36	88615153.93	50216772.36	25770561.11	53940228.87	64182618.84	45999511.61	31753111.87	50803387.29	49059444.11	40145271.05	25263197.25	40286375.68	52706941.99	798239.8455	46116681.15	55845285.42	33643286.49	54184878.23	51841930.42	43797265.51	85944619.78	70344205.69	67148835.63	70712614.2	60638490.61	54107969.83	38888387.36	60800468.34	44879324.76	45839700.59	26756.14792	67583320.22	98683410.41	58918635.74	55507326.91	34714946.73	52382722.23	45132818.39	54509909.09	52709650.87	50426672.31	59557498.31	47282895.08	38426595	54788832.54	34817322.96	56081371.06	55688862.2	72494467.67	35464157.61	50535435.98	49642855.44	60354690.78	24404374.65	53578679.22	45634561.5	42689480.92	52062604.45	46354031.3	56699379.82	49745608.7	24239830.17	48323113.37	37441183.41	45292562.93	73802887.24	28191.50267	52550966.17	55428919.91	55640102.47	28715.00648	38420478.57	57170635.42	60621493.49	23104.31738	51261261.23	51596409.89	60461898.97	20271.57743	41946635.21	46602926.69	61202266	21008.61371	56732681.2	54969648.25	37425516.13	17136.72944	54942837.83	57197059.59
C10 H22 O6_2.377	3012095.683	6862093.236	2405951.656	2600102.685	2302061.341	2963170.105	2779335.694	2796687.013	2950133.119	2617782.11	1944922.827	5293961.748	5452898.58	3020188.155	2173462.692	2131932.537	2039682.497	2346392.406	2646279.295	2401709.33	3177714.411	1550656.209	2043213.964	1379992.267	1823977.091	1551105.466	1172107.035	2576970.428	2725402.26	1478310.363	5539170.53	2822765.471	4403192.63	2755012.211	2147466.116	2809385.948	1811641.066	2571695.369	3432123.749	2084681.831	1952484.92	2753365.464	3563036.271	1820763.757	1238349.866	2248011.538	6658798.592	6983902.008	2205230.493	3191813.976	2918804.898	2815776.62	3218266.838	3042568.044	2011862.538	3302661.698	2267760.763	3843639.213	2061298.555	2601078.909	5061872.434	1748661.588	2365884.664	2377718.168	1897082.764	2813429.518	3633859.207	2477241.068	3305131.236	2886151.189	2395717.15	2301807.61	2592753.475	2991016.086	2337753.402	2339280.915	2447358.478	7295692.018	2681315.209	2835330.202	1551513.85	2311466.965	1427677.502	1952429.141	3402716.608	3389042.415	4405676.526	3088523.25	2779885.735	2868798.278	3600851.518	2794120.03	3717897.989	1827457.76	3439642.528	2776378.482	1726331.616	3384263.727	1800487.511	3147165.046	1888164.843	2278234.635	3425531.074	1189192.779	1227432.034	3207475.667	1164155.15	1696095.96	3359409.979	1765550.933	1367435.698	5333168.869	1205559.224	3650383.95	3517303.513	3174004.753	1193454.942	2817129.906	5094439.058	3289669.842	1220780.639	3152761.04	3068306.582	3084376.001	1306553.367	5261306.912	3255177.019	2911366.578	1254729.842	3294474.289	3667522.986	3868030.683	1345462.92	3341608.992	3588925.35
C11 H24 N3 P_3.467	2384436.572	2848213.69	3442819.238	1789854.136	2238692.123	2104046.889	1845501.843	3196607.312	2959476.895	1461254.694	1802448.481	1705799.483	2120543.079	1667835.509	1562209.911	1414719.843	1382981.369	2318119.373	1689445.844	2127862.884	1904282.99	731482.2272	1569415.877	1828322.698	1606194.425	2210243.659	1930379.715	1270597.181	1706604.833	1974528.92	1533319.205	2681864.354	1812694.576	2605471.002	2657151.456	1440073.832	1567653.657	1777551.839	1756341.319	1420894.983	1465010.153	1781758.392	2546317.438	1571607.94	928391.8762	1437560.079	2057429.007	1878528.428	1870092.682	1915198.491	2545048.192	2301758.894	1819714.385	1985105.862	2125164.277	2533420.759	1283431.646	1938077.627	2071869.333	1350892.634	2586547.586	1626248.819	1755991.326	1730002.29	2148666.198	1440692.794	1975421.27	2226263.024	2499945.646	2375785.372	2355081.006	1898435.393	1597090.341	2606357.189	2328532.433	1602749.533	1177825.714	2838490.504	2561936	1522308.003	2209725.755	1188887.639	1716553.157	1801230.837	1726839.574	2758548.298	1846504.351	2032183.77	1636082.359	1786068.727	1757025.473	1642156.421	2820485.06	1598374.852	2363639.762	2226596.006	2354630.967	2181758.841	2190979.751	2100700.745	2014551.435	2107028.829	939956.3998	1201799.887	1091427.477	2321399.207	1337892.439	1760008.235	1345977.12	2051591.67	774533.6348	1020758.134	14084.22475	1583745.786	2207159.616	2467578.666	10882.23086	1542917.131	1929837.252	2482550.646	8768.449344	1330824.262	1996193.404	2323083.018	8936.658272	1409415.588	1858261.914	2176457.852	11906.53722	1684313.863	2029269.955	2671311.398	10671.51257	1368012.861	1846137.186
C11 H24 N6 O4 P2_8.145	3237700.462	5457147.761	4814132.909	2370679.272	1241370.464	2466630.781	1609236.128	4390993.277	2748040.856	1422386.017	1537667.462	3547359.338	2747376.595	1409594.314	1648326.604	1081675.273	2376624.455	850154.6689	1204125.495	3379461.697	718894.8788	212301.3934	136096.1907	231364.9378	424727.8247	356595.7742	324112.8669	346356.8589	477351.2157	896151.8101	1689313.193	4547530.443	1918779.718	4601909.48	3240274.876	1557968.913	1427209.023	3568524.708	2192518.077	1731757.083	2055789.455	2708760.637	2558053.902	1364292.263	1877090.585	1213195.169	5377559.811	3057336.962	1119681.295	2799490.382	2967308.409	3020660.36	2757916.781	2292574.266	3818936.142	3590602.771	1585082.488	1276161.92	1297928.5	1949755.831	1729837.763	1642576.896	1887235.816	1712934.305	2267828.85	1608763.612	3711447.367	1997056.706	2834609.349	2419511.336	3352630.946	2810969.46	1795477.994	4067340.926	2274206.142	2171107.969	1050411.288	2438833.07	3579138.682	1870212.669	1749995.477	1218981.856	2134884.286	1147941.805	1803862.915	1176324.672	2003105.549	2645804.215	2850974.832	1833963.034	2065762.309	1657280.723	3155639.951	2543417.062	5487238.659	1741526.566	2822803.671	3189900.02	2068053.204	1566193.446	2930898.525	1928490.767	122342.7002	408628.0866	357669.994	598526.9468	430400.057	521131.461	552385.9185	416115.8367	171369.3139	254010.0239	8494.772285	1826233.177	1840538.162	1791365.599	10568.64712	1513885.37	1651965.817	2168657.267	12256.00754	1546549.489	1751017.777	2081844.926	12765.13454	1301155.892	1694243.564	2224017.493	14322.41869	1763769.717	2055491.608	1670070.92	21385.01045	1103111.172	1996393.3
C11 H28 N9 O P_5.844	21698.15902	59188.98724	21739.3695	53345.90051	20532.4066	28908.96762	42536.4014	24423.62258	28891.19797	28289.10896	27599.22596	78342.03069	144071.9626	24231.6618	19944.75125	19842.45617	21635.13563	34147.42429	23364.80838	22893.02702	72740.06141	34040.77455	52324.83272	23872.34638	67807.80263	71173.6037	19319.1223	19462.27655	39625.66479	108520.4533	18705.26175	49297.96993	462203.5366	141413.6955	20484.62911	21110.0135	19633.88745	27791.25825	28102.3312	26398.98872	29582.90256	22210.27654	219723.7462	36547.36038	15517.08946	67710.7608	103748.1191	214979.6201	21153.01205	42579.64214	36684.01145	20207.03236	20604.5483	20228.50457	20745.35798	21002.37406	20862.67796	20010.33123	21046.6691	25267.21138	39917.13777	27422.75939	19277.52454	34689.03454	30196.4591	35709.52461	42233.19706	55050.92137	97300.24649	45225.46285	21359.00672	20215.56121	18510.00388	22553.39085	24652.10734	26074.20979	27488.32236	21317.41153	34547.90233	3987994.148	62771.41545	20080.4136	48858.22288	22522.43948	88608.44523	22032.12044	27668.98055	18304.02705	19755.58963	18688.37664	21476.39763	17558.75307	141644.5785	22500.94377	42145.43705	74721.83564	20454.10115	49087.39025	21303.81669	17856.7341	41335.83802	22417.6646	23817.15834	18584.34069	49758.3304	33335.34779	20026.61699	23247.8788	85451.43962	77946.00137	25324.36145	232460.1159	35812.28085	95041.06441	88446.46001	88373.06372	34726.48624	80996.69558	101804.6234	94897.50739	13795.62535	98966.33539	82739.60843	85688.20523	31182.16099	93261.47826	82474.56394	84133.71916	36862.00955	116229.7032	86490.77689	107003.3571	39022.85946	85426.7401	76921.62281
C11 H3 O3 P3 S2_13.131	5329883.909	5401882.067	5552705.851	4395926.143	2516353.15	5254233.457	3528658.023	3401230.597	9238268.858	3080253.923	3678383.318	8871551.927	4551871.693	1399885.616	3955892.724	3162664.343	4437303.867	2787799.937	4643996.12	3995897.892	4047884.143	6904333.771	5245793.708	4589556.028	5222938.481	3742041.923	3380373.89	2391021.485	3021707.851	3868379.704	2153069.685	6262142.376	2447006.48	8146297.094	3452888.478	3239186.192	2373935.226	6479483.207	5071535.658	4521282.634	3825058.593	7263407.59	17589121.97	4313009.591	6077684.424	3453382.417	7201950.679	4208788.479	1362631.484	4539539.576	6400248.921	4822049.925	2239970.433	4672914.479	4556106.208	3208318.082	1412190.329	3473339.044	3767949.405	4456235.29	3632414.76	5158154.133	2370525.298	3469198.516	3267118.307	2593835.313	12028305.35	5331100.237	5757834.352	5650685.466	5328150.133	4599612.293	2801380.918	3707196.12	3010615.056	4797928.771	25098.81959	5971841.778	9571058.664	4372131.102	4638732.139	2445552.387	7466651.558	3048483.389	4576762.157	4174193.175	3900599.299	4406623.047	4130356.877	2704804.277	3957490.822	2199762.689	3778992.364	4225010.729	6906545.825	2362178.658	4467924.812	4144072.852	4276494.502	3180464.51	4616552.761	3338269.663	3016344.137	4385802.801	3702249.962	2892238.563	3356769.25	4121085.088	4316077.959	2643822.922	3019706.497	7941375.995	26546.33372	4463128.216	4538357.844	4051418.12	24270.08055	3154287.997	4333003.159	5417269.132	17002.31857	4290686.996	4328611.516	4887752.434	14420.86931	2956622.327	3916368.522	5164398.726	14483.0277	4635544.447	4521324.31	2057748.037	11267.84707	5002304.571	4840462.057
C11 H32 N9 O5 P_2.422	6552676.594	6829571.37	5587375.198	4443940.917	3569832.745	4898017.327	3357740.571	5507601.495	5188051.619	4093101.974	3683586.41	7506777.602	5082729.853	3615310.501	5540034.495	4154508.535	5936701.56	4281187.089	4837079.043	5789384.592	1644709.566	1038206.666	1059138.482	1080975.284	878734.7874	1315935.873	1205935.361	1616627.193	1052806.742	1392699.191	3726598.664	5679506.421	4409457.617	6003531.224	3690645.367	4602589.249	3617305.143	3768249.449	5240421.759	4076547.124	3837661.889	5056508.296	7957525.063	5432829.167	2811221.483	3181831.254	6469298.827	4990541.297	4034091.411	4530072.974	4358856.331	4625306.281	4352500.056	4706254.1	3362254.849	5323480.448	2943136.188	4212461.41	3940184.894	4230462.202	5140711.412	4533929.61	5643882.315	4603566.189	4945144.625	3216833.678	6327437.731	3747024.819	4867943.666	3987155.394	4724211.2	3841460.819	3178965.118	4409975.352	4612660.255	3978125.384	3759428.115	5226386.479	7154970.551	3397805.501	4035116.397	3919060.039	3625064.425	3907693.252	3778138.454	5834686.374	4296529.499	4295548.954	4645833.361	3840278.661	4221440.86	4004248.501	3884501.519	4377961.914	6481824.941	4179564.398	5131355.339	5357803.448	5218639.729	4235934.037	5478806.74	3968541.341	931606.6276	1164181.792	960399.4019	1629580.068	1197371.673	1909047	1656066.08	1593124.065	931569.2594	1285240.744	10945.91688	4113472.513	4177995.292	4429502.814	8674.464361	3891578.064	4088898.771	4172262.639	15597.61948	4304642.681	4327948.478	4445849.467	12022.64524	3935373.937	3960575.833	4075580.935	11248.6613	4162646.447	4413784.896	4654599.268	6690.648788	3606413.918	4152722.531
C12 H20 N4 O6 S_7.531	1423627.275	1770489.256	3421002.721	668861.227	1394949.311	1261555.111	821438.5223	2854030.651	3982077.802	976960.6046	916905.3025	60203.01895	1294306.222	1311589.919	747682.3057	676343.7652	537165.6636	989311.8803	1015854.181	1868022.952	2209192.076	803640.1306	2731469.767	3073658.643	2748454.956	745275.3673	2761007.245	1851064.098	3597126.573	3016036.969	991905.3546	1972049.34	1070625.817	1413886.002	1655870.954	409600.7422	586763.4733	731186.8785	1002854.838	717111.1493	1095731.139	494129.9142	894170.1756	318898.0305	353307.441	439263.5347	1805469.76	1565461.809	1083565.902	1589120.627	1725331.668	2130619.759	654550.841	1140252.798	1569311.021	3030383.715	39469.45542	2518686.004	2370007.725	809771.0523	2326923.628	1342069.938	1479771.281	27190.03501	2724898.306	692798.5158	2039516.856	47236.5527	1702690.085	1979212.5	982730.9245	941248.0429	1009860.824	1976688.417	1571146.376	1075100.692	535065.5957	2338497.841	3162964.128	1621722.786	2243261.921	412580.2523	1029246.815	1131180.452	1018815.678	2901740.078	711521.0895	929596.6874	384712.7263	1100006.655	844546.9953	964859.4529	1820323.114	956186.2667	2485030.965	43035.56048	3866668.277	2981210.646	2504931.623	2608311.431	3088348.041	2398589.313	1349397.943	3274101.537	3729433.489	5774053.636	2881419.875	2655821.351	1856273.828	4017727.2	1176021.977	1563765.758	18801.95565	778985.2007	1248121.669	821774.236	14649.06521	454715.5159	1222881.793	1143709.559	10306.32725	554743.4833	1071246.665	1255117.611	9040.194338	466005.798	976970.4692	878414.599	8655.424148	784358.7541	931381.8128	1330429.986	8696.599804	640411.2529	819279.3105
C13 H22 N6 O4 S_8.213	1997415.28	2037804.392	2126852.501	1410286.881	1039221.539	1058096.424	1530601.628	2752946.189	797302.0575	1629483.451	1945426.574	1841118.308	1851468.75	1473076.895	1225550.825	1068553.622	1421588.714	1156851.998	1210664.731	1877249.789	2203180.133	1402768.376	1611774.892	1411387.095	1710403.435	1038094.443	2218216.899	1804798.245	2572373.377	3085938.579	1190463.934	1115288.331	876961.5747	1429400.3	1285601.397	1016609.54	1184133.463	1006390.867	976760.5132	750741.1491	2476903.406	1107856.914	1369209.835	738177.7715	964607.909	1046138.565	2670469.493	2369786.883	1642098.189	1150481.125	1460424.907	1422771.392	1489846.982	1381794.242	1383826.742	1400880.291	1546901.507	1108382.587	1180180.398	1411944.695	1169104.806	1338436.06	1474161.929	2115818.152	1821214.987	1234086.084	1373809.474	1233881.438	1373359.457	1391434.182	1382970.452	1493386.576	1228409.208	1673293.727	2525978.015	1719992.013	1433022.927	1890757.334	2172599.165	1243326.62	1226201.498	1289786.574	1670117.095	1826614.513	1597094.911	2167999.117	1413553.966	1377639.382	1474630.344	1789675.675	2129606.413	1555530.441	2509038.298	932531.3791	2084087.864	1478541.111	1401452.262	1535976.031	1390897.332	1263913.493	1472138.474	2051406.106	886260.6165	1209901.327	938810.208	1333027.531	1141330.798	685947.703	994079.3078	1085808.497	710213.7401	488734.9226	8368.347457	1307851.201	1447676.5	1786735.372	6579.612362	1632306.488	1484515.792	1445771.355	8244.60113	1524510.805	1352612.866	1423085.931	25836.26656	1380728.091	1565393.62	1446025.213	15135.72333	1722885.178	1963263.863	888313.0333	46019.57893	868903.521	4011702.91
C13 H25 N5 O3_2.336	2801985.34	4926200.527	2184265.457	1911786.656	1497093.195	2247420.725	1734270.19	2432450.261	2637544.042	1860403.956	1453045.34	2185203.279	2446577.606	1403692.91	1500264.042	1400747.522	1453636.814	1677851.032	1381699.102	1908586.094	2295032.532	898368.4947	1248498.099	1008994.292	1136295.178	1181867.212	848405.2936	1171741.528	1450774.149	1135099.462	3298444.526	2599459.621	2234724.534	3196022.813	2359713.001	2255166.156	1603169.983	1948488.087	2521115.432	1886719.126	1778645.759	1265028.537	2281690.252	1189020.936	827305.4853	1117591.916	3152892.59	3456626.75	1782580.306	2157340.429	2506244.132	2240665.057	2960131.916	2415735.258	1779130.973	2925324.307	1515513.723	2491334.635	1268369.744	1596230.711	1724498.904	1559602.151	1779573.956	1258229.706	1564225.795	1900745.432	2633806.916	1697139.702	2578240.669	1956132.216	2142370.308	1736963.174	1563635.15	2925053.731	1945784.896	1712129.607	1754021.925	2314601.059	1850238.075	1164061.597	1404931.249	1506355.226	1280521.245	1211546.113	2084153.69	2434989.58	1962100.612	2157557.7	2119237.756	3507811.783	2421635.805	1909627.224	2644470.062	1727857.046	2953967.975	1795092.465	1273418.517	1477500.838	1507561.225	1881060.439	1611791.712	1288062.741	1405985.461	847311.6471	748503.4124	2223224.092	832835.2086	1250253.647	1697184.735	857230.2504	854828.5667	2162384.855	292361.7176	2220132.741	2313499.737	2126216.465	309926.4794	1859754.135	3028200.357	2303391.313	546283.9421	2106886.595	2063960.946	2207555.302	548339.1342	2268614.282	2293572.48	2262753.448	579494.7705	2118420.599	2370652.653	2421837.617	601064.197	2219326.242	2146269.458
C15 H28 N3 P S_4.605	3213571.255	2675677.639	2051716.413	1605237.804	1096475.946	1624143.663	1395341.617	1964011.194	2469236.096	1492385.791	1365110.64	3094666.744	2212350.471	1520332.812	3016407.472	1643777.886	2648902.858	1771096.946	1787711.637	2368546.731	770967.7577	562100.7925	538873.3277	479794.4164	470987.9305	670263.8404	599330.9804	861082.9847	715342.4524	674854.9871	1382818.414	2440482.896	1581887.299	2850778.77	3062359.987	1982017.166	1630144.301	1822977.65	2361632.26	1590374.099	1743235.025	2801574.603	3719707.661	2650238.566	2524261.621	2140320.005	2376710.316	1881878.393	1448373.75	1478884.366	2467840.727	1586807.418	3040649.171	1691312.177	1645980.583	2246677.229	1214008.975	1251023.435	1234211.86	1342788.961	1620908.153	1708399.169	2343014.105	1390609.151	1872604.391	1146272.653	2384605.334	1213865.656	1804551.364	1389740.555	2113572.73	1365679.91	1090587.442	3391574.383	1545973.713	1330231.5	1301692.398	1833983.667	2253310.137	1057074.843	1393568.81	1369977.079	2025924.416	1250751.169	1280449.853	2212865.974	1532364.795	1581014.187	1617859.857	1409779.725	1666499.025	1476153.211	3138750.519	1722572.824	2628320.213	1465322.016	2323155.11	2094609.845	1733621.296	1489801.422	2195175.486	1489641.813	600900.5363	533148.1198	445023.0173	849223.054	513281.0047	757253.2205	884733.4742	706050.9769	564423.5654	673615.4604	20263.77241	1753256.079	1716279.335	1841886.067	13882.6235	1661595.992	1699983.761	1804233.601	11815.58264	1749468.517	1750321.916	1801968.581	20594.91644	1709717.718	1630284.903	1782521.687	19925.55688	1782373.472	1849611.863	1893827.399	13697.9603	1504537.325	1744342.87
C15 H29 N5 O4_2.306	5245654.745	5730028.741	3613584.47	3373702.246	2549138.908	3560626.449	2461698.861	4272106.203	5355966.995	3309527.398	2460027.552	2769145.371	2127880.738	1569988.406	1931763.82	1877453.295	2176998.838	2078777.944	1623135.315	2231825.135	2951295.733	1106001.86	1109725.503	1055946.642	1306737.853	1026061.664	828084.3696	1141978.848	1304263.069	1155717	3275214.561	5718689.872	3454720.58	6118721.32	4594404.967	3608269.889	2720418.495	3465896.456	5117010.881	3117220.374	3359080.618	1540984.213	2879443.045	1798741.257	1239103.486	1525082.406	5565256.968	4376246.058	2826099.886	3641281.737	4794172.354	3685429.165	6099284.252	3606876.181	3133564.892	5124018.523	2534035.423	4001347.554	1781225.909	2156468.76	2332823.992	2253333.783	2566415.617	1877191.009	2160369.158	2581023.207	5627788.113	2723566.59	4714734.216	3298462.329	3871356.214	3191584.028	2180066.888	5991385.138	3362054.528	2779961.07	1700355.144	2723612.367	2559337.114	1371385.413	1670323.447	2220585.571	1991749.072	1515478.981	2828311.504	4301014.526	3176105.014	3115898.446	3311783.268	4922406.321	3338637.254	2659713.3	5094465.794	3296147.431	5106800.956	2296903.867	1976940.666	2144196.006	2351084.608	1918660.932	2236233.956	1667097.426	1202725.288	857981.5814	777273.3577	2665763.354	935076.0237	1684449.054	1604645.522	936351.8143	896507.3845	1913967.329	131039.523	2958153.412	3183945.889	3216914.624	230822.1126	2658064.61	2966294.538	3373036.14	372268.6062	3083165.356	2622764.093	3364012.575	369319.6984	2863451.585	2764408.025	3122137.872	334423.6557	2929482.298	3343589.987	3381577.562	393990.7433	2812828.577	2783111.742
C15 H38 N9 O6 P_2.27	16575327.2	12039750.67	9536238.662	8329389.638	6292036.296	9105272.087	5897342.817	11842641.3	14831638.96	8186900.339	7308936.252	5467523.157	3462486.178	2216258.154	4495047.79	2822910.302	3843425.079	2625554.727	3057280.764	4598374.378	422878.7458	340349.2499	367853.1158	328904.8979	260122.0893	331562.8134	277112.2933	260037.4537	342197.1696	256482.1231	6602261.847	13105584.01	8353993.992	11503231.99	13160794.63	8238472.86	7033994.134	8345283.515	12180052.97	6968443.64	8710384.653	2437412.765	4339631.281	3264976.318	2877840.958	2850149.975	12380562.99	9493413.201	6852648.369	7511718.474	11984057.02	7341700.626	14131573.82	8422027.123	7952466.475	12152544.36	5245036.554	3265777.919	2992386.53	3083883.529	3993334.816	3565796.178	5441503.735	3150295.387	4365507.049	5721662.541	13446750.22	6561428.983	9369229.923	6779261.412	8499873.23	6455156.749	4552801.031	15239527.21	7712776.226	7135878.523	2698417.508	5278314.627	6026395.777	2491216.725	2734810.869	2665244.145	3922281.779	2869162.175	6010704.698	10805591.48	7302638.287	7075640.605	7490479.71	5409760.428	7621408.866	5540013.759	13716806.19	9418916.739	13996303.62	3067531.707	3857645.014	4595056.656	3518739.153	2702338.241	4319048.394	2895594.151	335728.3001	298295.3133	258605.0424	480161.7855	291041.3818	427446.546	408619.3014	323567.4776	305283.4973	618887.3373	22863.2624	6234055.709	5321233.229	6426667.986	29144.27423	4949802.892	5941271.99	5673945.633	13457.83804	6065552.487	5944576.467	6422867.016	14546.64469	5533839.414	5405621.429	5845682.968	32649.00348	5685130.431	5826589.629	7024223.295	27120.30492	5230064.988	5411952.885
C16 H25 N4 P3_11.896	2451784.436	3915312.068	3385328.634	1714383.961	1411894.294	2159203.65	2181573.835	3599203.573	1878246.217	1730565.688	1922823.049	6029056.76	2612426.621	2452643.066	1762467.022	1258263.051	1718734.119	1704036.623	2498408.429	2307544.671	4149698.598	1314232.887	1596671.881	1729120.441	2218875.198	3205396.709	2403577.738	1881054.315	2695935.616	3789532.559	2408912.554	1681667.09	1437375.662	2219504.713	2072811.392	2099327.914	1552342.044	1635024.489	1417337.4	1402753.735	1784579.418	1972554.603	2698892.801	1531212.341	1872420.621	1499848.341	2078929.942	1913292.206	1645626.643	1410274.733	2290497.734	1744841.35	2403211.905	1904435.154	2237639.525	2077613.822	1848943.687	1563050.242	1543268.697	1947974.629	2048136.628	2079998.658	1996518.554	2587968.539	2427125.533	35301.75152	29387.63088	1741373.417	49710.13891	2068029.584	2270517.882	2163445.53	1754468.177	2184185.813	2816344.439	2010128.893	1747155.879	2710479.466	3157479.724	1984437.816	2228951.552	2413968.992	1989556.406	37897.20419	1843014.001	2364258.962	1580087.543	2002246.509	2041046.837	1786741.195	2641793.522	1830690.569	2682549.178	1637934.382	1909901.958	2290945.775	1910068.32	2262554.114	1830049.01	1765595.304	2149369.324	2282787.829	1565244.443	1490297.505	1453192.85	2897828.03	1968516.105	2569973.199	2536090.207	2137518.455	1775981.854	1522841.025	10196.77707	1821943.077	2178256.387	2567197.098	13173.12649	2288140.826	1562518.213	1964683.529	22836.41412	1491795.689	1884414.87	2246265.966	31721.41487	2353605.534	2094022.127	1831789.835	20427.22179	2490439.748	2598382.821	1578838.2	22860.25266	1326721.433	2421770.65
C17 H32 N3 O P S_2.431	2956272.113	2928963.312	2509563.247	1872108.936	1594713.295	2457729.388	1914400.643	2628576.661	2990815.133	1873189.13	1716483.435	2142306.17	1759308.171	1242604.089	1543941.872	1247052.839	1526853.751	1419548.91	1588441.323	1799647.799	428521.2705	290971.8735	260207.425	302280.5688	250800.3243	305137.1651	384014.5688	317369.0511	346452.6027	316031.7376	1813095.765	2530715.471	1964867.851	2519437.025	2271230.526	2054992.648	1671089.742	2090436.955	1784894.232	1676375.471	1750384.699	1373641.82	2451682.216	1424072.752	813779.2365	1216744.01	2946521.129	2270998.453	1878588.324	2089638.819	2345431.283	2147202.271	2454185.085	2264324.542	1867269.197	2493888.282	1569381.216	1452777.051	1392379.109	1454413.413	1698870.305	1311296.708	1835054.024	1636106.971	1614577.657	1555590.034	2593803.523	1622539.368	2178053.408	1856335.001	1952612.173	1723182.612	1534450.759	2455807.246	2285316.723	1658050.253	1299500.481	2014903.233	2324759.786	1088634.558	1293184.121	1231564.561	1543309.766	1322209.338	1813769.483	2561412.882	1924287.007	1941279.739	2288693.719	1729276.245	2030898.764	1848950.634	1895419.072	2011435.184	2262609.292	1414528.52	1364545.91	1817921.244	1756831.382	1422284.243	1629696.976	1285893.228	300063.6152	241302.2396	238018.4696	284083.8543	336508.1944	391303.8659	394539.4079	370614.9039	243595.3826	258686.6582	353910.0547	1448538.984	1544919.69	1728054.962	279483.3376	1530211.295	1474673.34	1620972.103	330558.7527	1582796.192	1733102.166	1440602.687	290150.875	1502031.102	1588809.597	1683310.754	280023.329	1381548.749	1412195.466	1842416.662	274194.568	1468707.196	1528573.506
C17 H33 N5 O5_2.277	16323084.8	13038425.54	8145585.997	7705910.071	5746844.398	7870746.276	5493147.644	11136120.76	14439595.66	7943874.607	5939661.787	5082490.211	3564595.979	2306640.096	3489034.112	3080361.559	3795314.051	2915352.813	2618587.173	3898170.557	3081669.329	1300718.28	1298212.478	1119438.808	1136252.948	1153644.366	986233.8281	1157458.317	1398311.275	1224027.799	6839074.029	14073357.9	7949559.562	13156641.04	14147490.98	8267152.249	6536126.089	7974920.344	13285097.09	6131029.992	8515229.941	2386072.032	5021886.496	3039622.147	2509644.48	2618396.874	14084755.9	9406084.975	6470518.333	7285399.66	11090425.38	7255985.819	15276066.25	8024103.87	7251997.636	12962133.48	4865070.787	5716309.895	2895286.634	3029684.07	3998046.737	3657180.363	4527124.538	3245047.301	3651550.856	5107240.403	13921689.05	6154986.756	11632479.58	7714464.592	9089306.501	6765193.217	4585696.035	16030899.47	7526712.616	6376043.58	2604919.965	4856874.837	4589205.992	2283059.971	2763335.663	3195408.313	3033682.712	2296203.088	5917645.61	9602386.496	6437380.215	6245707.785	7280498.504	6741715.267	7212711.828	5646843.005	13326691.01	8760705.777	12501298.29	3499467.422	3274381.064	4082834.303	3279836.255	2926321.025	4191196.271	3021285.505	1262868.484	949094.2848	852178.2995	3386435.334	1057939.899	1827799.57	1403754.134	1155878.092	906258.3079	1804534.933	97178.84375	6215058.178	6114781.512	6304130.676	159221.751	5248590.303	5985353.777	6337231.686	237274.9654	6293133.366	5998824.694	6756896.248	241187.1417	5520634.675	5553620.083	6079944.768	246510.261	6119489.52	6418406.401	6852206.864	258652.1723	5319394.409	5860293.58
C17 H34 N2 O3_2.424	58823.57827	286444.2548	61828.26136	36746.85634	20146.95972	66374.31536	78838.8634	14240.35656	36944.93401	12163.53136	13465.01558	84631.80155	46403.10857	45073.34575	39914.59552	41555.04579	38708.78591	67859.29569	22722.98261	24172.0627	1651126.311	38702.32513	38432.42354	59312.38448	36086.53053	23864.03627	41925.99441	28798.81443	58215.02045	38767.51849	28397.15391	29270.68084	360794.3859	79578.96002	21159.78345	38169.61684	42095.5996	25022.65244	15566.72891	19483.64372	14485.52594	61128.16947	69570.09737	32276.79929	21264.18819	21294.86754	84115.69497	35703.62083	31565.23405	79214.45023	28037.40811	50435.17947	23239.08144	113555.6984	49413.23572	35975.83043	24490.80127	35050.87419	39411.86692	35338.99779	31296.80033	71426.78343	36896.76304	28282.05029	26769.57377	15200.74708	238720.1522	41152.5361	80602.90615	69148.95695	58707.90606	20083.80362	75601.34895	429121.0764	13928.32157	14820.72273	78093.18728	115983.7294	34755.16391	45225.84632	30466.2201	25222.5372	25677.28518	65752.68516	130151.9362	147473.2267	197131.3626	39212.11978	24180.18279	145886.8211	16085.70841	15831.01507	19443.64758	15485.27186	13025.86475	117148.716	35721.12246	27397.47375	31386.47027	49447.04896	29176.56267	234852.2832	99583.65233	45786.27021	46536.66085	55964.50709	44744.45812	59549.49615	34921.38903	456119.7063	35401.22726	22539.84902	28056.35015	63236.56508	37856.41351	49911.30016	124814.7532	64650.19032	59107.09951	56796.26768	134010.1414	78443.10069	65150.99729	50579.87727	106995.4863	66040.18085	55284.95451	52503.5765	101135.2192	70828.34595	58330.61278	68779.48164	95326.94633	52828.82382	63790.55926
C17 H36 N2 O2_2.414	33678.79785	427023.3926	50576.94337	61365.44177	104807.608	75680.28822	325277.1321	30673.91456	105266.6709	22357.55791	22576.14286	50372.45201	165324.009	52853.47258	26916.11714	30814.20423	58187.1887	82570.77982	27306.99288	21471.27165	137705.8796	29449.47687	36225.73302	47931.33528	173645.3732	38742.03669	39227.60347	28925.358	69643.01457	41364.46717	57501.92703	49287.89354	172484.7238	1628492.314	59572.53503	220993.3293	149751.1148	18392.49976	263691.6598	139472.6628	38116.14658	32400.30061	50762.90148	102535.5721	20718.36037	25512.74385	1043278.242	19425.86352	74160.23441	226415.2557	62544.3728	69419.75756	17697.97873	252310.1623	18044.71596	45401.5457	52098.41556	26181.63672	85858.30262	27662.13084	58185.74481	27164.55297	148552.2141	74005.82978	22695.34287	20731.85559	333198.8459	97059.21352	386730.9755	41448.71636	34346.0992	10640.8905	126011.2755	41103.69528	92724.39913	11925.22296	29270.11205	1287138.474	23287.16008	68717.26061	122319.2306	38963.01567	29053.03872	608698.6944	1297152.899	111732.5449	105851.0533	27365.1439	263790.5181	204037.6866	38923.9303	25657.10627	4386195.138	49282.15904	24952.90106	721082.3851	58178.98833	216026.8121	100479.1682	31197.80507	54370.15425	1890510.553	226415.639	40838.75207	31531.03911	185268.3679	37507.13159	47333.68157	42566.37779	33200.28837	345028.3235	88303.12019	39341.72596	159701.2873	189302.5033	170367.9004	52528.19852	166402.3048	164927.3261	149589.8837	67069.14874	176005.5743	183409.431	193725.6289	61252.1908	151045.6499	156784.9954	156712.8245	56887.51139	190994.2865	147287.2812	214708.9245	59534.95533	153103.433	160333.8636
C17 H36 N2 O2_3.467	38715.47452	163746.3644	21611.49435	46269.86232	57784.54581	48004.04596	127886.4584	26751.12442	55940.93329	24407.64017	34211.80496	42273.39418	80005.4119	39324.16077	24675.54601	27670.68807	34080.21448	66525.37123	12254.62797	33773.93336	75617.15967	51605.92201	27540.52342	45243.05979	87606.26907	44132.18432	26137.84008	32317.19359	49289.80882	26088.94861	40521.77587	28461.79243	75993.24234	635912.6976	39887.88409	94760.32482	66726.007	27149.85422	142178.0609	70177.00433	28758.51717	38382.21068	32043.06839	75668.15513	19907.51829	23142.70279	389547.6378	32932.2398	42380.20943	88465.82902	40933.94872	36073.08899	23190.37299	128434.1369	16503.21174	35413.3356	36150.3557	35469.48606	44252.12167	28574.64945	49820.21781	32161.23129	68723.58558	54772.18388	29525.14987	33999.90948	131377.6764	57032.15062	210406.6335	42279.95754	37982.95441	26251.34347	84623.54049	32162.0734	60288.36949	21333.02528	32916.31453	610228.4314	26501.77911	50466.90888	88023.97429	40817.72211	28971.7713	300356.4624	507359.0478	65742.3102	60423.79132	49862.5235	126828.9796	97086.09325	32507.95851	34780.88831	1830222.912	33054.03946	34301.3778	333246.7698	30982.33356	124078.4373	76656.4303	34993.84551	38299.06026	947926.328	115034.4728	25675.77012	19296.68708	105751.4582	42231.07498	30500.23181	41651.37872	31349.18389	213478.6472	53777.15355	32667.43287	86961.07326	97705.20423	93921.51648	49185.2669	73222.52798	93211.86117	90505.293	52424.41346	88154.36862	87171.54601	88747.80836	43435.59046	89178.081	93074.92668	76958.04947	37196.49423	93521.76501	88031.86932	100832.8779	34491.42447	86099.25714	85189.12719
C17 H40 N5 P_2.463	37731.00583	272158.2497	17156.40926	8217.187026	9208.743897	7762.043066	12787.62504	7034.67533	9025.549131	10196.90949	9301.376401	37993.07705	14821.24141	12152.52765	14570.87067	11558.31938	12565.81748	10336.39209	15271.42689	9399.605179	20725.65455	14753.46331	11435.3571	16020.8506	12031.02129	9663.815671	11788.11084	10179.71092	12124.24742	20255.86022	24665.99389	22166.38372	31672.16121	17835.7806	14592.40244	17832.80565	16255.4926	15384.78752	35142.30426	25718.26948	13673.79385	26206.76813	26666.2694	16322.3131	11331.1758	17468.03838	57700.71674	24281.26609	27087.22858	29706.43549	27805.40269	21552.26229	22079.91206	20881.04052	4476975.539	17834.58162	15925.57783	28961.7027	23236.36514	31579.93836	27117.9349	22563.70514	25572.84955	24280.66419	29103.4216	8533.549972	9149.090123	10149.65095	8452.302478	11507.48668	10904.67756	6918.526505	6448.209054	7596.459531	7285.278953	8696.288207	22660.59292	14319.94632	11551.39184	8971.696243	9865.086601	7735.414924	18237.19921	13795.83304	11835.47949	16942.17257	8856.383479	8633.853861	8224.831624	22783.23736	21278.99321	7014.045638	14878.97474	7549.937494	13219.7479	13981.51196	11895.77592	53610.82486	9966.771296	19998.43027	9770.456046	9144.82915	18705.39878	15180.6358	18731.63133	14389.56559	10810.76561	19796.27711	10379.31089	12306.48191	9691.415606	18762.77778	11573.73191	34231.14459	45540.80184	36435.48627	9688.885787	47379.08897	44479.4104	35386.27732	7074.226577	40927.77316	38552.67308	41860.80294	6857.137409	43453.87516	35045.80072	38668.4997	6314.280855	47406.29092	43815.09359	40357.42859	6447.67447	38365.83213	39448.7505
C18 H39 N O11_2.419	5765266.5	5694831.949	5126863.529	3779547.057	3177413.304	4293567.052	3579504.107	4559509.256	5904619.265	3471397.261	3586601.006	7105548.95	5127907.457	3423563.009	5583904.311	4318531.942	6131408.414	4550310.249	5175550.045	5284814.488	2189947.113	1470777.381	1545012.534	1480612.867	1447656.028	1987796.428	1748350.301	2162270.623	2079236.826	1947100.954	3278166.575	5083215.024	3799712.795	5471427.755	4757945.499	4312220.657	3227302.521	4233896.242	4460394.341	3475628.966	3619085.086	4910869.216	7610599.226	5318612.851	3697341.819	4151391.295	5751424.121	4374746.913	3678224.346	4229205.989	5211938.818	4253437.633	5598038.331	4203731.424	3707266.113	4762612.045	3238413.161	4295562.37	4286689.398	4343916.415	5503575.105	4550135.957	5727904.175	4804373.683	4942427.08	2697834.03	5422522.14	3406912.107	4495750.153	3666192.921	4335208.416	3634275.639	2882901.01	5297801.846	4130173.41	3649969.434	3599440.405	5112372.346	6983051.177	3355852.289	4169268.438	3965649.327	4877982.547	4305096.009	3247939.851	5185811.253	4197067.747	3868181.608	4013500.469	3524155.581	3893998.903	3552461.657	4916919.89	3717015.56	5399912.857	4190458.829	5394000.106	5021681.602	5277454.66	4146835.074	5386250.096	3883145.729	1565076.566	1618775.298	1261784.506	2109115.421	1651954.739	2485431.36	2226716.877	2103443.798	1335192.489	1649763.681	9502.126801	3892426.142	4269657.823	4223958.348	6831.58344	3622209.746	3844029.703	4410730.797	5484.284299	4109972.777	3939340.871	4165586.395	6348.631247	3887591.301	3852554.124	4051897.484	7437.897865	3984059.597	4196418.83	4426458.72	6283.059112	3674391.279	3936562.056
C19 H22 S2_1.959	128214.2658	67212.52749	36580.80782	69610.06184	41573.95259	42198.93986	48106.1478	38019.3488	48310.79689	42653.89761	58837.78978	41166.41402	51357.20946	71034.69866	230150.12	57334.72806	43749.30677	38747.76016	49173.99784	50320.15349	71251.78113	35678.62161	35839.6015	71702.10828	46053.31253	27792.58567	30011.21987	40171.8985	49918.85037	420391.6628	29936.66954	44493.86902	49943.70472	60502.38619	205016.2394	41730.10064	32937.65632	38305.60846	43601.92092	51011.46964	36638.97714	44535.20505	66932.8245	42702.18925	29202.12753	40689.85689	107852.7382	41257.255	28897.12981	32335.57704	73328.45868	40276.82749	82739.94772	32450.88953	45531.98474	28797.85619	37564.22128	47469.23342	73702.38526	118993.4812	32237.23442	230164.6935	57609.65748	51653.29356	37145.29203	31004.14744	47981.27845	37842.42489	33781.96946	43313.19072	73501.62443	32285.91676	37358.01716	68108.69686	52170.72117	88804.22597	36514.38623	35991.78911	33876.577	35572.08917	62504.9545	51734.16609	53224.82453	72538.32721	31784.4758	73560.12505	77388.47173	47283.66799	39171.84031	233480.0115	111474.1828	39625.37522	52499.26703	44746.43507	48216.29706	49734.68247	44525.37588	6451183.787	35220.53622	71153.19854	70905.01909	43798.39105	42199.48134	74748.88386	42768.42235	109573.2268	39575.86479	74380.50059	43403.38754	29855.18172	39770.67474	69650.26371	29636.06744	96809.40258	89569.81568	123228.6485	31276.06548	115081.9539	90143.86043	140135.5524	52649.68864	76845.03415	93924.88193	138733.6829	40628.53515	76944.61432	98696.32815	120631.6778	40027.42285	76244.10316	128196.0672	142640.1708	49072.91902	88139.31762	92469.69518
C19 H38 N2 O3_2.414	640628.7968	6594773.94	417586.1869	325126.4478	726204.9756	1190783.973	2128424.768	456162.919	782163.4039	246275.3168	363324.5096	1135618.07	806618.0849	704712.0755	723670.7014	364102.3112	554696.4974	1145599.413	336946.0365	380654.2756	15718140.22	742616.8342	568516.9712	651110.0599	2231686.772	456885.3843	288769.8215	471657.6869	1408963.316	626509.7323	1063025.512	1292211.765	4038586.082	410603.8979	475605.0866	390780.8423	3920444.757	527514.2824	671431.608	383920.2481	457477.0906	642294.8756	757189.0414	922278.128	142562.4659	229296.2235	1864075.488	632799.0913	414524.0124	1479640.826	582529.4375	777505.8099	497118.1677	2071827.241	715405.1013	1305750.59	282205.3129	465480.2162	362879.4786	501813.3318	974366.2	925131.4605	1325300.587	466196.3573	349798.4766	456286.1296	7174680.259	702740.8973	1352028.75	1360136.956	936413.4562	254783.3429	959223.9874	2874937.833	494139.1408	433965.7407	570129.4078	4856141.959	339121.9299	1314267.04	700425.9418	477693.4879	391160.208	13815201.98	5953451.837	2135064.927	3672301.267	657365.1042	523443.1807	2153250.015	485756.8846	338575.5277	548517.3393	292118.5711	723735.3622	2917948.778	1494954.294	367536.623	1058778.099	767330.0154	741611.6832	4357975.548	11009393.99	375051.6131	219673.7601	711896.6445	487196.6897	289251.5149	1944848.472	6389621.949	911552.8253	1093791.316	325000.5063	1356421.079	1415284.165	1432914.621	1531393.087	1273828.4	1432026.166	1468771.277	1715596.19	1436379.274	1347895.781	1515142.709	1292357.536	1287825.609	1347116.019	1292263.939	1207231.115	1472659.58	1404410.814	1405839.365	1277320.654	1296959.342	1458201.141
C19 H38 N2 O3_3.482	427900.899	3763480.407	353932.7535	296690.7922	479960.4612	677971.8981	1113812.09	327137.5431	473933.9352	241798.659	305940.1916	668575.2082	587894.7973	482033.401	496368.6896	318135.8575	390785.7264	771850.6355	263278.2655	316574.1132	9122756.338	541607.705	468955.6947	461798.8889	1278148.728	372013.0214	228310.572	399564.3162	1135978.277	471658.3908	632732.9768	522076.3363	2568332.845	345813.3799	338387.6466	313250.1445	2743608.004	348650.5361	548715.4077	290417.5226	336428.7713	471886.786	483685.6459	662007.6875	145917.4612	196778.7954	1059863.285	408677.1862	326596.7241	865038.82	394152.0486	470391.0781	325311.4125	1288622.992	453250.1819	836381.6443	210431.2838	349529.8939	271248.761	382343.8128	584409.6789	676244.2932	849447.5807	300919.4961	297783.8114	391579.6107	4825920.907	514990.4138	1043395.79	1043329.681	715100.2706	228095.6	627221.5317	1153618.907	383384.1613	368374.3157	461656.7175	3525785.678	287706.2456	973529.6379	544786.3146	389077.4193	323666.2824	9812204.164	3582502.355	1659577.929	2296164.319	518139.5043	459446.2455	1238974.052	397692.7539	303656.9593	356872.2381	234531.759	564245.5624	1779270.063	1104687.885	302203.8784	719139.5579	534341.2751	561185.4448	3240395.463	7703407.163	371461.8755	191785.2842	569905.4238	371418.9641	276143.3923	1678808.459	5011092.582	748854.2852	898373.2582	282443.0292	923355.7062	932630.9109	835649.4689	958122.9343	936079.3254	985515.1632	904691.3923	1161282.914	947584.3858	923234.3601	986124.9678	853099.3334	890574.3055	859166.5637	838743.5946	827145.2987	1016607.567	866792.8029	984861.6466	873183.0052	891544.7278	930454.2095
C19 H40 N2 O2_2.408	25619.3986	179519.707	22573.81788	18616.03253	63809.58691	24530.73943	95000.39072	16838.41071	23908.75068	16436.85699	14974.53701	35125.42564	49591.51836	27521.34072	30648.01758	31109.99639	31688.30161	50275.59535	19602.11784	19312.63677	80720.78129	42978.795	36730.8445	36632.1416	66390.12794	33453.84994	33094.30872	28364.10166	64766.24185	34195.17502	25235.6096	28717.01899	56921.55581	477621.3504	14351.90214	84200.84958	86655.49674	10105.86229	119708.1613	30229.33802	9503.400036	34419.45242	39919.43636	34045.17281	15157.2713	14531.53657	291003.5877	20893.81237	18162.984	131577.2924	19435.93764	16506.6828	16738.11557	124516.2511	16839.45434	14152.60422	11491.93947	27697.77009	26290.59376	28265.9215	25277.68514	25561.13852	57092.07724	18739.60458	18669.17305	16015.64241	188940.6155	19650.41936	203632.6195	34666.42337	18259.55644	14225.16399	32282.84037	23217.69222	23196.17902	10967.45478	27318.94262	598596.0016	31950.72584	46029.39063	42791.18331	23251.75251	24199.22087	1017797.778	513807.5022	24821.58821	28898.75158	17724.44724	163498.5054	46349.94157	24482.33721	12710.82217	1464279.99	34243.66561	24776.55294	271991.048	40998.83158	28580.94704	25926.64883	22647.51108	29119.10948	513689.2314	263292.061	36522.02917	33889.33047	79934.90572	36268.29029	45782.16797	31376.63749	31752.74242	127204.0564	44452.56755	17996.99816	88674.29126	60969.45389	75116.91245	38099.65364	68705.67409	84963.57084	75089.06545	35747.64197	65022.69467	67502.31331	119256.8068	33192.67496	69916.57693	61590.44022	57177.66992	28517.33632	64304.58618	89063.70684	82449.47209	16315.14445	80241.82179	69167.53546
C19 H41 N_2.429	192838.9174	1473645.215	296824.1033	128017.1596	279718.9279	375673.9341	294699.194	201882.8809	303986.8024	133024.042	123774.6593	247218.9027	238391.6372	140139.6098	185697.9807	172138.8121	162790.5351	370828.9426	154792.499	131335.6882	367887.7605	169235.8625	238054.1068	262027.1954	591069.467	239370.1292	165480.7159	195458.2194	331402.8701	93297.07962	216410.3391	317723.1859	678856.666	192907.6883	228571.1787	581750.5471	742131.967	167864.0823	519773.1444	300361.0717	146486.4575	388892.9612	259255.7503	246401.8266	90822.93126	262478.195	483449.0137	215764.9608	321425.9956	259173.1866	270281.4623	27808.65583	151460.7591	803437.8991	171546.0978	256532.1627	133683.7309	179351.2362	145905.0272	233084.5083	154430.2009	193478.3107	228218.7807	215320.9635	259381.7641	123013.6142	1096020.419	216387.9932	766319.4075	192579.0328	155244.7112	122304.6815	122976.9715	146453.6811	262482.5949	136896.1599	195472.5264	1800567.156	162573.2382	402949.5841	390616.0391	178100.1313	123948.1867	7419561.472	1539183.799	377238.7797	215648.523	248111.8591	223961.0794	186110.3414	238854.4949	145723.5707	3765014.493	109668.8201	312245.0617	765244.8302	166600.8409	188145.4123	423013.3089	213173.4291	302094.7821	2259034.821	1123642.87	184336.5768	142157.9473	338158.0864	146999.0753	97605.84159	193889.6035	2656548.452	744950.4712	410015.7761	68078.94688	386285.4239	388830.4496	432700.2987	56119.64506	353887.9951	390352.2762	411646.6574	59692.72339	382412.0123	389320.5549	458716.2767	64543.6674	352805.9263	375421.316	386609.0923	52443.96025	369237.6264	405734.514	459222.9468	56891.01153	343258.8836	384119.1688
C19 H41 N_3.48	183375.1676	953597.8575	191391.459	123891.1317	305796.8528	451155.1812	160270.9814	340681.1347	289964.7592	176737.6399	126717.6133	272698.2787	320377.1676	175365.9936	172774.9974	252635.9989	160018.058	496867.912	210245.7052	160412.5557	281077.3675	200547.3003	306256.7294	249308.1389	567532.8228	303826.387	41775.07352	317468.9377	421835.0268	44636.59105	276925.298	330384.4982	637567.813	21078.44903	298772.9152	575231.7988	768932.493	42385.51505	492906.4953	221850.1103	57254.58941	15683.61719	297292.7215	337081.3697	149310.5616	301589.42	306001.5729	211460.4745	379623.9011	247008.1636	196397.5508	196095.1726	182359.0902	944261.5858	203994.531	60283.34275	132774.7665	219257.5663	30779.75102	260829.1381	171105.7392	205526.8065	295450.6842	96486.48234	10192.90329	17016.82918	1016293.086	157114.1459	807620.43	44671.9606	22960.54877	21896.48459	160759.4449	158989.1243	45971.42831	139580.2255	311203.2874	1886941.15	189241.1041	414961.7852	534453.9079	229189.1298	108226.2778	7585952.277	1237109.338	518250.3234	214915.9252	264566.6922	51180.76456	216196.7485	38525.55508	53653.82536	3149278.611	181228.0035	390608.8083	685328.8986	131757.6582	205429.2812	328636.6824	239037.1483	480820.218	2337758.448	887083.6505	227578.2659	142897.8732	396175.8059	141885.306	82977.90607	301150.152	3206529.567	907370.7505	491911.5259	231941.7695	436570.915	430134.7893	377809.991	350025.1226	383523.7748	425833.8319	457785.6528	68293.74334	477355.7167	428223.2594	472453.7917	9676.319529	387652.8818	351448.2135	346832.0917	381665.7267	484752.8562	439975.0895	449259.9553	375485.308	353548.3209	459748.0831
C19 H49 N7 O3 P2 S_2.363	21680519.96	25773926.94	20223976.65	18541284.62	12738273.39	15804380.81	14966289.87	18460719.54	21528627.57	14035585.74	13568156.72	48372024.66	32563324.07	25522207.84	38774914.65	29856886.75	44349953.74	29339140.74	31494207.66	40106323.6	35721916.7	21068746.24	26529985.33	24263605.79	21343468.19	28014465.98	24285814	33494204.34	27343671.08	29823356.32	13553332.99	20677157.76	14003258.54	24464396.89	18805650.55	18510886.22	13506392.29	16382028.25	17620960.81	16370228.91	15284953.75	37596049.69	52036908.52	35906200.13	31112085.77	29852016.16	23736055.99	19766069	18809521.87	17574405.73	27065717.54	20231914.3	26044149.28	16297188.27	19529892.11	21175726.63	13837019.39	35035422.86	32726280.37	35407826.73	39073659.15	40189211.58	45857104.81	34667503.08	36747082.27	11838131.51	17486447.16	14172233.24	20293178.22	16098057.62	19277188.51	14947093.28	12967295.43	20803487.17	17224519.7	15063303.98	27358628.44	36527879.81	46704652.03	27549660.03	34886952.72	29888092.88	39445076.67	36026910.96	14776129.65	23741955.3	17306813.81	17502684.59	20420963.01	15814249.95	16046174.12	15729194.81	26073680.34	17284824.8	24814346.85	29362158.58	40772614.05	39132993.57	35346256.41	31978348.67	38557280.1	26662292.24	26240934.52	23279410.06	21646649.56	41649639.9	24751612.67	48734319.71	39529538.28	40551668.64	25087504.41	37116107.72	26535.47571	26916627.49	26546401.3	29254429.13	25183.64097	24035280.37	27406611.39	29745246.75	33761.81305	26254183.48	26893165.69	27896949.07	21828.12519	24653510.59	25008609.87	26764091.42	22278.50282	29135425.76	28437313.5	30347423.56	30448.42213	22958377.89	26517584.53
C2 H Cl N6 P2 S2_13.095	50390568.64	48853656.86	54774331.21	41595308.62	20304776.63	42606204.71	44331252.94	47571485.89	63119449.97	34648808.75	43537984.56	65129301.88	41032447.37	23419667.26	36572318.22	29872020.11	39131058.52	28363548.42	53333648.12	52924509.69	42978720.74	48655435.06	41860457.14	39745247.55	45995058.2	26902836.92	39317701.03	31312994.95	42087056.09	47282257.77	21085769.69	49125747.1	26302956.24	59516591.94	26018427.14	40894310	30663967.19	55241488.26	50499915.97	46318945.54	40532843.51	57932760.37	99465709.42	38208638.33	55983099.37	49533827.75	54782296.39	41065789.48	18165136.12	41488523.99	46293529.45	34804662.47	24306624.62	41653854.64	39983717.85	32552295.14	20446367.68	32898264.09	34050150.05	744468.5842	34023908.26	43066090.43	26504111.51	43706084.91	39749574.73	27773660.28	72045238.45	46340936.54	51696717.1	48851957.77	56506855.24	43639661.7	30884845.02	41524476.95	41692790.59	47379573.38	14197521.63	54262258.48	83745269.7	38367891.03	45402722.58	27473040.27	51233511.86	40438341.37	43058906.88	40139312.45	36226022.59	41732047.22	38827491.32	33380953.92	49666647.73	30031917.26	46474498.79	44047627.53	56183424.3	27739314.05	34432958.75	38680645.81	49732817.83	25022735.85	39194701.71	41101795.14	32050374.75	38975406.87	34034565.16	46325009.56	38208888.73	19400047.1	35115042.8	29527487.77	33575850.77	65936054.56	44797.06514	42832692.27	40470292.13	37160653.13	48625.85974	30635234.22	41118677.42	52578531.65	39849.5395	40020755.17	41792402.36	43039488.67	37737.35777	28105095.2	33025913.29	41956050.26	41569.1691	49796287.76	52310784.85	18444230.96	37953.80151	41289633.21	45325980.14
C2 H Cl N6 P2 S2_13.349	131497.7649	55627.47684	54628.67948	44346471.99	18969106.87	40408202.37	42315862.61	45509199.9	60390952.82	33193560.73	41717513.41	315263228.5	118441.0028	74827.1868	43457187.37	34732596.47	36841881.71	26450144.15	50933304.27	32830.053	59743.90825	49318.75652	28390.10408	38339538.33	42857756.56	25116508.81	37368438.02	29873430.54	40225294.97	45206090.03	28711885.23	50447240.69	26471751.58	55459971.53	24740226.17	38964692.77	29245718.61	52895269.51	48359968.76	44360574.08	38841871.78	154170.8931	63737.40466	35822010.17	52740119.02	47458011.27	728680.5398	109342.6738	105107.2447	45608863.21	43125389.5	32562337.32	22846333.8	39327057.39	37875918.18	30923074.53	19304202.52	32555625.89	33226667.82	38570664.74	31691117.33	40631226.5	25122100.08	41756809.32	38010146.46	33784915.18	37495.53281	47089689.83	48270180.03	45535946.26	53193381.35	41142278.18	29180095.41	39404412.49	39874289.19	45380817.78	354712.3242	119419002.8	153808560.1	41512052.09	44601395.97	26480.71098	48798234.87	38609414.56	181415681.5	59983.23994	33908206.56	39009134.72	36438357.56	31601451.5	47354885.91	28659149.07	44426429.39	42163432.61	53818503.42	56093.94582	23986739.09	36061205.57	46329052.26	23393267.22	37081315.7	39314656.57	213765.5366	43591421.04	34060.85915	44466496.23	35645084.13	18100971.14	33030759.38	28035100.53	32143092.06	63129091.74	697545.5779	433499.0832	210367.2706	50645875.42	53232.4185	52288.59847	42711458.54	50245622.9	33011.93724	37772501.53	28690.38186	30556.52111	29560.06539	26355271.55	31224351.43	39912927.48	34758.65507	47411054.84	49967409.04	17649124.36	31470.54372	39518992.29	43439432.77
C2 H4 Cl N2 O3 P S_13.091	15356572.85	13272035.61	15396107.44	14146526.33	7287954.553	15756958.28	10328845.65	12459818.94	16963811.25	8821848.723	11662082.45	18833247.62	13011114.31	6046866.148	10253868.35	11137190	14744605.2	9229802.778	13811807.62	11111626.13	10529142.96	14752130.03	11012039.88	12480456.49	13621243.21	11085922.37	14075965.9	13128175.07	9552146.404	8251376.731	9041209.805	15349687.03	7150591.208	16332587.44	10778089.33	10977848.05	9777002.687	12318828.83	12163024.52	8366796.413	10303132.82	15033594.36	25922864.38	8220767.987	16029360.94	12594499.96	15362717.92	12517336.74	6532015.19	13792989.35	14386195.64	9098310.093	7437972.054	11608495.87	12958347.79	10450407.79	6843075.334	9526335.714	8989673.686	24039.55718	11018895.92	13447621.02	8731403.409	16028338.88	11960711.28	7367704.322	19472910.42	10001286.53	9497122.555	13907558.83	14775241.61	10557608.07	9414178.885	13889028.22	14947872.44	13833140.91	14163598.51	14889563.23	20430171.81	10802477.7	10058874.8	8047141.518	16961475.05	9698483.31	13283073.84	9968757.792	11416323.97	12228243.1	11150191.84	10062249.86	13705929.57	8537501.17	13903610.99	11478761.44	12628962.68	9150565.265	12432300.13	11874910.53	10046764.21	10257349.02	13549947.76	12495421.37	9150389.3	10212099.1	9073254.889	9862442.574	8601604.841	12677746.78	13231240.86	9237603.375	9622477.834	15928669.04	22110.30311	10561235.74	13069926.2	10987821.36	24262.86468	8663074.164	11093469.39	15237897.48	20816.49308	9937871.58	11125018.5	9077650.376	18848.4388	8907783.416	13291521.72	11485316.25	19650.41303	14043930.81	12572164.29	5314609.161	17660.65438	10975794.21	13433545.89
C2 H4 Cl2 N2 O2 P2 S2_13.084	19847231.47	20711509.66	22529312.27	12982791.5	4874871.018	9726994.601	22212175.85	23335673.14	16734499.49	17283279.97	20247382.51	20324307.88	16320506.58	11439276.23	12577986.01	12903926.06	16676507.7	12545369.69	19771949.8	25249057.97	18072173.24	13296693.9	16767722.33	14990785.54	15032972.53	15190581.13	18483699.97	13555333.33	15966964.63	22122849.64	9477063.356	17807156.71	11239946.27	19445820.75	14365660.91	21187030.74	12948243.93	21825862.74	18026697.31	19181732.49	5410580.995	22740745.72	34247847.35	14870895.36	21621473.3	27674725.26	22544367.15	15301239.8	8390034.872	14676502.63	23013822.38	12313999.61	10112328.81	16481301.95	14241174.04	15183123.55	11922438.5	13241470.73	12649733.17	25479.27567	19004406.15	19167878.81	12604498.42	22965981.1	20627171.25	11409310.45	21566573.55	13546949.38	19916230.28	17320411.49	19769750.76	15566594.98	13622548.45	22873453.76	24270668.58	17921048.69	17746781.62	23529640.5	23271996.26	13952988.21	16239909	12197698.41	27321167.46	19342510.5	18500900.15	17511851.78	16280188.2	17729950.74	16455350.98	15692463.66	26274590.34	14848201.9	25774343.82	15492477.78	24362307.37	13214458.61	15658868.11	16633533	20461040.93	10988907.65	14709821.07	22947174.77	13712685	12738186.39	12119612.67	15750429.43	15141673.65	10963837.58	12032255.99	14274659.25	16125589.1	24404108.81	22412.02792	14611277.59	17769371.65	16528858.97	23233.95567	13267383.79	16664811.24	17517390.53	21831.50597	15930953.55	15108375.48	16242500.21	21838.35257	13416504.11	16555143.31	17732015.37	26059.50644	15751951.7	16564511.79	10626894.72	25726.67102	19454298.06	15584716.83
C2 H4 Cl2 N2 O2 P2 S2_13.358	26300.94716	19799.82519	19596.9939	10606920.76	4571552.976	8792716.96	18624420.95	18711881.83	13372017.57	13180634.86	15206079.18	26893140.98	26432.63188	21303.56099	10579315.57	10781136.34	14045128.86	11594516.53	16445564.7	22202.50673	19849.17267	19620.16291	16029.34277	3440986.499	4199355.312	14010327.35	16375600.42	11461166.14	4268304.931	17991787	2411485.242	14467246.38	9123830.206	17199665.27	12663509.81	18232892.28	10994912.17	17014217.15	14001060.09	14842556.73	16598271.03	26513.13433	20166.55347	12664424.92	20373334.91	21077570.7	82488.06832	24707.67856	24850.64918	12073187.84	20490314.94	11628571.11	9587323.301	15375716.7	12999269.04	13519593.98	17417.31016	10761592.11	10313085.09	16448705.94	17143351.47	17947923.87	11450034.49	18954973.63	16715562.33	9668610.425	4097480.157	10998310.54	17275034.47	15917106.28	18675853.55	14624614.52	12658484.58	20573800.33	19598537.32	13814125.91	33281.53566	24603308.66	22832643.55	11434984.1	13216187.58	18686.33129	23620782.48	16152563.81	23633373.33	19256.28875	13946952.98	15282144.96	15622399.49	14391464.84	22408650.43	12501473.42	21037286.25	12207525.14	16784000.39	20256.64994	16489.7488	14615728.45	18575666.71	10344461.27	13551905.61	18464784.98	28346.90181	10525368.57	16573.42343	12944706.82	13218370.37	10186905.21	11389969.29	12775075.94	12641450.03	19093152.47	35712.61587	1157108.201	19030471.69	14564058.66	20042.3471	20164.24426	13556366.28	14447446.86	19023.29431	13348408.57	22181.72902	1422795.453	20670.13927	12734104.43	15319110.73	15553402.93	23861.65952	13682911.68	13724033.55	8462099.218	21119.54963	15383296.23	11714452.51
C2 H5 P3 S2_13.087	21193448.2	28557202.6	27613945.69	16321437.98	10150185.86	26457363.82	24064760.61	24737273.06	26199749.47	14001956.9	18872537.18	33543624.28	21789366.88	13555211.4	20067710.07	18971760.46	23846209.06	18232062.3	28016071.61	26030700	22613875.4	24109142.96	24625572.37	19442663.84	34989241.06	8523521.068	23380757.77	22411106.1	21603212.62	25272470.76	17282486.65	24392203.3	16876205.68	25497194.2	20499645.39	23833697.5	16121532.83	21070792.65	19783388.11	17055577.45	14351143.12	28140373.95	41430142.09	23742843.97	28100092.94	16834816.26	26588378.25	21190507.4	12911684.49	22637846.08	25834687.14	27572219.15	11789117.51	22821322.26	24240257.59	14682286.8	13594197.93	28331202.72	19431379.86	29545.75189	21955880.56	27137295.31	16388733.2	17521928.97	17643427.73	18339491.15	35040903.81	28088395.45	28240665.17	28462106.16	22042478	16504734.03	19212887.15	21593399.87	25225892.05	25005786.11	23807800.64	30576062.73	35999779.09	29678007.4	24335277.03	15190774.45	27004045.67	20465835.22	20781107.4	23693401.57	22879515.91	22058913.83	20781416.1	19673884.65	26967964.18	17923712.46	28221538.79	20779791.74	18508497.66	17256487.7	23731772.95	22932903.34	26712722.85	18281808.68	25562135	22484899.24	17468953.43	14553736.91	19341032.43	21115789.18	22121057.89	14802305.87	21351392.94	18468535.73	18173329.76	36483749.04	23889.70848	21604409.54	23945101.24	23487791.92	27388.42605	17822156	18079029.79	24402185.71	25525.11754	24443791.15	20322033.13	29973518.01	32572.96042	13343392.66	21581155.55	21148460.02	26166.59244	22109343.35	27547675.5	16134700.44	28866.82006	20374255.17	24059536.87
C20 H41 N4 O5 P S_2.245	1564856.221	1073274.02	768511.7411	1166849.67	540276.7681	770708.5138	575018.0656	1099062.598	1049267.807	826086.6446	764546.3607	857921.3155	362129.5631	159283.2176	417537.4999	258230.0771	294008.7212	228675.9625	300474.3113	279981.8673	68107.95112	45115.61592	50663.46523	27257.05319	44698.66023	37853.79678	31074.74625	24181.4244	34223.6574	12945.37461	1010664.024	976646.9338	1318788.273	1379722.951	1417864.974	825309.8389	880394.8823	1176271.259	342891.9293	801252.7767	819848.2212	196091.6244	199006.9072	275321.6218	616033.4722	266430.5715	1955364.493	1190450.895	960696.4328	902092.5625	1138203.35	845753.3625	1239941.439	499018.8201	748535.9151	1115436.002	764108.5612	383831.0398	255400.6975	189845.461	181138.9888	156946.4192	346700.2146	181076.8725	272645.419	1146861.528	1866890.376	1043326.618	1031521.65	752377.3912	704570.0991	491660.2039	1160810.094	1339976.391	714220.6389	867266.7596	255751.3754	519488.7408	535072.6662	257172.4755	294309.5613	212009.6124	177171.1319	357675.4829	909388.7663	1181198.672	643564.6236	720420.7625	534159.5053	487164.7327	581826.0202	608556.077	591559.8149	1239643.467	1090475.685	323637.0525	364075.6953	267981.994	227240.2964	287508.754	422481.6738	316374.739	41151.6949	36959.92633	28167.99146	35402.82004	23917.18197	68877.8601	26724.08931	53959.67791	23983.29593	20626.28182	19828.49038	798212.2857	528955.1292	486014.9546	14623.16266	363144.7308	804516.6005	730504.2018	7971.383136	644734.239	498863.5912	601484.1063	6548.336203	500611.4622	417643.3792	940780.8609	5715.252747	523976.7701	520362.8537	677818.4486	5608.17459	684500.3942	494405.2255
C20 H43 N_2.445	111693.9682	177841.9518	332552.3048	121463.2748	102617.9094	512916.6999	107978.6903	249998.2671	294740.2396	241580.8506	86014.79083	228094.0593	97617.75203	153436.2829	90188.71294	99519.14601	177496.6276	130078.8035	270198.8603	115354.519	78000.72767	57376.39303	299589.0177	125640.6634	332699.1292	147618.1661	73341.24746	193763.055	362661.0103	73435.1416	250655.709	323996.1212	375137.8238	150291.2683	129055.3057	335820.5242	148149.9129	88223.067	268017.6738	90846.44566	255445.9972	343719.7787	74558.86743	97535.95033	81911.34443	97100.2316	302896.3157	204856.4749	310949.9019	144403.6872	144503.6931	104742.6792	123282.8057	764357.3911	119574.4971	799725.8225	353723.5729	101359.0339	108081.9386	298452.6986	507189.4289	105693.3733	1466704.68	108682.8756	313331.6256	242303.0995	6217.182556	112692.2168	307132.1759	393978.4931	213960.6558	309536.6566	90521.71974	99008.96943	344598.0903	96227.61811	15974.41581	195633.2989	7061.961322	210849.4164	111446.8418	142190.8777	59158.47572	114397.1374	110021.417	125714.9611	158915.7276	396244.3363	572199.8829	138989.5861	431387.5576	295007.5395	94596.09898	195330.0142	295413.9804	118173.9569	85345.45112	253586.8565	345634.1703	233131.6408	225198.9417	121585.6257	87282.59841	69837.1756	300025.8861	108331.0414	58695.93384	52889.78661	255993.7464	314650.4179	177598.475	364550.3675	13064.06768	204842.4867	167367.964	181054.4651	7817.499864	275066.0824	190097.3118	195639.3288	46909.99761	214117.1472	158827.1138	216817.0747	32111.48614	208817.4004	204863.7358	176552.5645	6631.801532	198341.2427	202057.3651	235232.7019	7551.610254	179943.7755	202623.7259
C20 H45 N10 O4 P S2_2.215	1583050.774	1429430.639	980057.3451	735653.5475	753861.7182	1353808.16	469012.7443	1179938.677	1633446.25	597395.3491	1088375.697	1324716.226	600738.8711	298912.8502	612680.7125	303080.7662	554182.2912	394799.6747	431687.6535	451266.0033	30740.7169	21348.11595	24087.17278	23711.97732	35882.75366	29458.68258	17194.7385	64415.3503	39114.17467	21638.32032	257203.0172	1566764.986	959185.1855	1257647.134	1106399.438	770461.9896	623620.9122	1457025.825	1973369.092	696296.7223	1219842.111	403294.1896	639923.3192	418835.0973	1391128.668	920872.0769	1284246.688	954495.4808	743116.1513	813794.0625	1902711.074	930101.9639	1447539.462	788107.5742	1167828.949	781759.7625	1271862.255	392532.0642	332197.1999	402598.8836	559990.4637	655606.0153	983592.8101	424440.9019	1222339.983	511563.465	1262181.124	958387.0523	966626.0455	738008.2996	786190.0383	429964.8171	464714.4858	1469338.904	738521.5094	642987.8783	425362.6944	800210.6234	1025868.959	273100.8978	464243.4204	459027.0037	521335.4121	342092.9237	795757.0062	1352852.941	639691.2141	793677.3115	855370.1992	386876.5937	870515.8455	837673.7403	1022250.96	942634.1055	1915380.522	443620.5476	539171.7615	656791.9665	316933.792	552159.0945	952899.7702	660631.502	23799.70002	33026.59605	23396.33493	32678.70462	22209.69285	33453.47998	27108.14283	34284.29504	40993.82925	19706.53981	6291.696806	921739.4212	722611.4863	576607.7674	7029.913728	655481.5559	809454.0931	634542.7295	5449.801037	914495.1213	810960.4413	742307.4081	5272.768861	613601.8454	849882.7787	976303.0586	5713.486238	771654.2954	629667.9909	671104.3427	5481.243213	865991.0155	724191.1886
C20 H47 N9 O4 P2_2.352	40109822.76	44902548.51	35660728.82	31076928.47	23969480.05	26321086.45	25000039.14	32106588.77	38210086.73	24443371.73	23409924.14	76597884.21	58831435.8	47348332.19	68651047.64	56346123.28	85236175.51	52253720.24	61607800.14	71161151.29	74826544.11	44099522.48	55285864.99	52497974.44	47580070.93	63787708.75	51371030.63	69265102.89	33862904.41	65478891.15	22979387.95	36746631.23	24979493.91	42136675.77	32883153.83	37898145.76	23208479.44	31951232.09	29450109.98	28394957.13	26242134.33	68451649.34	95995900.94	67199601.84	53777940.28	56629462.88	43527774.71	34649865.55	29352638.47	29237452.11	47740526.54	35488268.13	46829899.48	26829988.64	34417271.6	35959574.46	24376511.77	60918804.14	61390222.36	62961590.53	69131964.2	71249255.58	80931058.97	63716065.07	64712485.63	21260904.09	29535176.83	25293390.01	33207481.15	24042167.89	31266672.39	25825446.42	21614407.54	34505518	31117538.75	24033869.66	46181406.27	65729492.44	79610986.94	47870951.8	58311323.78	52097698	71862805.38	57664078.92	25011160.49	42302164.3	30703033.21	32067607.37	30154824.67	29562559.24	28372659.98	28144333.49	40265065.18	29236436.39	40104401.42	51861381.08	75332989.95	74305567.95	61617677.47	61453793.77	67066854.94	47399233.32	53150413.17	50233480.45	46405751.71	86005402.02	50414696.57	98426611.18	75961587.09	73258279.76	67051222.09	57519156.52	46678.21641	51174744.9	47190686.36	60871587.66	41189.87203	43086852.84	48376321.76	52766523.42	30339.13943	49345046.23	48312418.68	60657856.99	37126.60791	43475542.21	49226612.7	50279216.97	46782.85483	48929325.7	52625525.58	57996296.53	47694.74783	43509573.67	49273424.72
C21 H37 N_2.463	305531.1455	1692684.167	264368.331	147468.1424	172245.9915	201928.7948	341469.2192	182388.3244	241065.4934	129543.6797	198450.2056	297283.1065	678557.9018	218036.6185	239679.8409	176582.0875	245336.347	218176.0524	151167.0424	159263.5706	283284.4334	194240.5339	180236.1996	210817.1145	259757.167	248771.1027	186378.7271	210364.8408	221918.7083	397606.9235	208196.6894	227035.9949	270223.0473	215202.5118	249625.4382	153191.3883	262061.1464	284302.1271	58265949.72	212174.5946	142769.1989	268525.2279	360290.5303	336974.4926	137035.6243	197978.3667	414235.7595	460602.3614	176770.7898	423359.4128	242178.5114	294446.9074	207281.7812	447198.1433	75643785.72	240376.6742	179282.1766	314298.241	241886.8366	318217.659	249443.2652	349947.9532	278985.0649	257205.6734	467299.637	156177.6597	1095422.762	530808.4784	263867.1136	228451.9452	314211.4598	143991.4273	186633.7764	254993.5255	146768.0792	208720.0017	197425.6076	269341.8522	209202.1937	286581.9447	187164.0846	220917.0983	239196.6638	285773.5321	306059.2379	275720.1509	215374.6148	207604.2482	223438.2728	350338.1805	396044.5308	190490.7172	252039.1678	139072.7059	220027.5404	308399.2739	202413.6078	364688.7022	255309.6238	289371.3051	278710.929	270879.8135	346927.1096	157862.3877	213956.1117	243816.0249	205438.8466	281450.6616	166242.4923	192936.9249	163019.6958	300393.4927	84117.55147	933412.4747	1173551.676	1005036.275	65067.18931	969491.6195	950653.5311	1015325.157	66304.64446	1137355.831	963712.063	1059286.182	66547.20584	945764.2634	997540.2399	1019113.185	51593.67994	1015456.636	1086275.862	1144316.724	48351.45538	905070.6556	974172.2961
C21 H37 N_3.496	371053.1389	1622995.34	323116.6865	248630.6796	219680.4716	222613.1057	357086.2045	214296.0686	261106.5435	148318.6764	216709.6326	385938.1795	797678.1548	291577.784	298815.5944	272272.6281	265099.9232	307016.6229	199954.0993	210831.2912	341365.9379	251072.5528	222313.9045	256904.8611	299951.2311	344462.6628	191143.6093	263630.6378	262374.3407	422074.204	229641.2733	337206.0956	325496.8171	265812.1572	247048.4562	193292.9778	269746.3859	285127.7348	70777301.97	204176.2395	165664.5304	331615.7631	327606.8038	422690.6239	188745.4537	235156.8972	460841.6067	540955.5386	251777.1757	471899.7812	281356.4067	284160.4866	228922.4801	501247.194	82297321.54	321274.3827	202878.4783	323335.6615	255157.6852	397437.2442	292833.3511	399721.4093	311827.7076	261292.6509	562197.3213	250158.7235	1447723.103	673463.2044	417257.0679	350743.3293	407828.06	176461.6898	240157.7037	275638.7892	200559.5784	234727.6502	314741.6748	403922.6018	270385.44	371031.6327	280610.2991	288492.1322	309047.5838	322096.6649	366695.8594	299760.64	322411.5208	316680.652	265401.5718	364584.1558	476841.6389	222669.5138	270822.2302	178156.5922	286756.041	339177.8823	267741.7894	496610.7737	314780.7864	301270.8874	381686.6292	378006.0681	410522.6212	237228.0648	289668.0114	322519.0758	286369.1514	298622.7806	224942.2484	274828.6728	189353.2325	393441.356	138019.1554	1183664.358	1207557.737	1120893.747	451549.9091	1179363.857	1217847.702	1157787.593	476091.6436	1149244.722	1135745.09	1274893.203	372791.9886	1195478.853	1145577.31	1150174.159	384473.4627	1188502.876	1178616.796	1278066.982	405920.8142	1063062.4	1194000.681
C21 H39 N5 O8_2.417	3853109.019	3999571.071	3397852.096	2710585.872	2348418.2	2981542.287	2543505.677	3240077.408	3994666.614	2411119.569	2378558.624	5229602.143	3819382.861	2576394.277	3888061.151	3296269.058	4248936.582	3136122.548	3759229.958	4104258.77	1940936.372	1309757.436	1375045.65	1443051.854	1279963.338	1618972.887	1727458.601	2212702.854	1916723.274	1625411.626	2303437.229	3434872.712	2657639.75	3753496.609	3387473.39	2911916.472	2386581.029	2840897.393	3002543.2	2423761.791	2443447.732	3978404.642	5612581.969	3813588.837	2869796.564	2856997.073	3810076.03	3033964.14	2619670.202	2853084.959	3708712.469	2940499.401	3863925.323	3147170.538	2828400.589	3285897.902	2355112.22	3044960.335	3583384.484	3302441.228	4074899.142	3536789.626	4591771.734	3607132.545	3924338.762	1845492.944	3612916.711	2453974.558	3209117.698	2589300.269	3082502.969	2536994.535	2118381.459	3912347.783	2944874.848	2407138.068	2833575.728	3881576.423	5357518.695	2623399.802	2997511.843	3150134.965	4062648.374	3447196.041	2228837.106	3632024.295	2857712.44	2493226.304	3048393.755	2511519.545	2644246.336	2572863.294	3385569.902	2723975.569	3678056.094	3202177.09	3811286.887	3885206.896	3945278.129	3098644.234	4034271.093	2774616.45	1428284.145	1350123.197	1215140.235	2073562.939	1373324.731	2206994.421	2235313.437	1786495.548	1173022.422	1432571.001	8808.945123	2885705.209	3008035.671	3123034.876	5584.414719	2646648.443	2889904.529	3305684.361	9178.135739	2982478.08	2883429.222	3163274.297	8551.690459	2673488.205	2821619.288	2892848.155	6657.77356	3044027.155	2959904.858	3284225.107	5736.423961	2630548.452	2965640.414
C21 H40 N3 P3_2.305	4564706.201	3493247.96	2407786.951	2337909.208	1922477.334	2452104.705	1840806.537	3253178.728	4050584.612	2056138.564	1739057.386	1181674.98	919585.6333	421551.9872	975269.1346	559393.4783	844692.0859	613689.5122	595950.0982	938930.0219	152430.0827	112904.5609	136210.3537	119279.2775	115182.8187	112943.323	118407.4293	123796.8496	112554.974	136309.6197	1824194.146	3819177.556	2465345.912	3845928.917	3982709.509	2275801.303	1836078.217	2209660.449	3506436.235	1840501.467	1949156.426	739623.0717	998519.5635	655980.0848	406470.7876	531374.7519	3827504.469	2618779.653	1564174.712	2249468.687	2601977.722	2264810.948	4157010.781	2289069.553	1795309.446	3460407.389	1652112.597	589726.6921	587402.3588	577465.5037	784163.9515	692993.7548	1097523.652	589133.9783	617524.4058	1505664.284	3182055.731	1501282.213	2973150.6	2125179.091	2596804.382	2071282.346	1478682.709	4023573.571	1950336.238	1799021.102	583569.5169	1008334.483	1144495.476	421678.5961	601171.8427	731720.1602	719802.7637	535630.7326	1694719.206	3161200.308	2018360.639	1765062.57	2292873.305	1461804.883	1934950.646	1629703.207	3622790.175	2459310.322	3812744.313	639909.1942	750969.233	957702.7904	826334.7714	612427.2874	957917.1505	644016.5493	96452.45172	100837.4676	97962.49642	150489.8008	106766.3327	141771.4318	134655.4701	113373.7798	203719.5661	266257.3258	22674.35887	1513095.403	1676727.4	1547037.105	19422.54559	1405816.625	1351755.76	1683176.662	33001.78813	1656705.802	1562595.012	1730853.818	16764.11985	1346061.671	1379466.903	1543715.15	29081.1719	1517237.733	1698557.771	1621634.026	23054.74385	1501442.769	1456683.58
C21 H42 N2 O3_2.41	277284.0006	3003068.669	166202.0275	122710.2979	293796.5932	434072.2468	825379.5777	187304.1307	254074.255	83981.23327	150120.1563	451855.0169	356276.0662	236493.2816	225879.5075	98360.36293	238322.7886	485584.5544	115305.7035	124329.5273	5852496.495	291986.6273	235174.1332	189258.1504	1045925.567	153894.7823	92653.39928	229925.2894	493737.2641	223518.0637	481481.9413	528395.7529	1445104.811	151673.6203	192969.4164	150452.9415	2036634.409	207887.3311	320926.7798	169894.855	165892.3206	246642.1385	236778.4197	381438.3162	61958.01323	79600.33013	795951.6231	223726.0662	210584.9579	627253.0561	203328.5979	281871.3848	160227.2619	796633.1236	302475.0833	574303.0075	78687.09564	180059.3082	112229.2854	141635.0683	317946.0757	348377.6828	472893.303	186103.2055	134306.2062	184828.411	2823145.658	283178.8196	772041.1094	420644.6021	385964.5581	81507.40407	422171.5433	777422.9678	180211.9298	132873.6363	183764.3389	2309699.747	107205.0488	548696.1453	288018.9798	207385.8598	111828.0204	8053661.552	2234582.122	916102.9961	1259626.015	226158.7637	286612.0289	732520.8626	212789.0459	156681.9179	176256.1432	89862.25615	315105.0703	1050959.765	565296.6916	125514.0965	399232.8117	275721.8494	293336.3203	1531381.946	3922710.86	155372.6095	51320.99179	324143.6921	156804.0571	48060.88382	915867.571	2106659.166	305462.5352	478239.0134	138859.2243	582276.6624	586497.5997	639193.1873	616878.9139	567868.6811	604438.2122	625384.6467	670034.3286	641810.5188	596038.2392	615640.8234	538633.5497	528533.0248	543996.4041	547622.384	445420.1914	665285.6596	588384.0846	723624.9033	423462.3673	556261.5415	557461.1942
C21 H42 N2 O3_3.458	115660.6523	1080323.149	121918.339	93192.16689	130556.3097	198500.5116	349945.0666	100363.7613	123407.7069	70525.48194	98002.37339	177696.6449	201742.2386	153767.5049	153510.0876	92679.30036	146332.0118	251536.2621	72892.45991	98272.57876	2442655.057	153587.4281	143867.8379	145746.6904	457909.7925	121206.6076	71731.52892	140561.2971	296493.0144	129654.0942	206715.9589	199446.7489	717225.0511	111756.938	105976.7291	112492.2066	913860.8963	103838.2235	192611.8529	82100.89825	96513.58857	140694.5929	133965.2218	226595.804	47553.91842	65766.3835	292462.4776	148931.4729	111699.7051	244479.2579	110783.7955	127207.2494	99668.95444	416169.5134	143391.7994	278853.5287	48158.58381	115366.0102	110119.0181	120785.8247	167014.5972	194101.3392	238953.7918	103487.6237	88425.94623	112803.1552	1366625.19	163861.7246	382346.0252	267176.3768	228932.6671	64700.49113	207773.6722	223653.0015	116616.1343	100235.8739	145664.8782	1101990.395	82718.48708	283450.3379	172000.8346	149421.3926	92373.74298	3964565.451	898007.9307	726886.0744	598186.6383	149271.4881	207769.266	359779.347	141629.8035	95177.61357	108391.9666	76574.3314	151171.6574	485423.5286	365985.4481	108695.8302	265727.9871	143053.2012	163878.6424	765278.678	2015390.105	100175.5204	68295.56481	209317.0819	127777.7714	92744.45421	596042.4168	1247868.355	229912.1035	294600.5293	97633.27945	298857.5522	304082.6275	287029.671	300856.4721	295106.4808	319091.1107	294224.1279	403612.872	304486.3006	276901.5969	304236.927	295487.3551	321833.1645	296162.8246	262180.717	246261.118	310176.4458	303232.101	320599.555	258582.7409	276285.6122	306272.3812
C21 H45 N_2.422	58842.83209	295664.2187	67636.25964	22317.59625	54187.33333	110512.438	141645.6579	67533.42398	53015.73236	45121.45181	31375.12798	55980.57642	28379.25034	22346.01653	54503.81874	35849.01759	35138.36122	79124.83491	31651.4611	43991.34127	86098.44725	40716.00573	47636.94603	50148.41253	93521.85034	36139.88075	46727.47295	43892.23066	64732.44526	55038.41732	68752.1022	48189.26225	132164.8679	59417.81697	94089.59629	51694.16127	83635.19157	25292.57312	68537.72786	63617.69607	37932.28568	37784.70207	63176.92531	59734.80169	24061.45833	68469.50406	89085.53069	51566.86733	56913.02788	60660.53608	46650.78409	53477.59811	29240.00999	155723.0619	28211.93221	86058.6137	37801.96269	29423.84766	40380.30471	79388.56241	51921.80902	41127.70948	58758.84698	39584.34862	63027.86798	39213.72453	185336.8716	47453.89655	125138.7321	62277.69169	88239.87178	19730.46046	33990.37682	48063.88785	38521.27013	29391.19785	34385.42327	126371.5476	55451.59353	370304.758	56273.69375	52581.81572	33315.7125	225505.1077	207584.9355	78580.52982	81152.73786	70496.64358	71347.12346	73541.49039	49014.96625	53916.9751	65292.67135	24889.70703	51263.35106	91696.56631	34289.23943	53630.91092	50969.81923	45598.35605	40515.44193	125783.9574	48991.73793	36179.08113	46082.79653	92483.72402	32643.57111	57927.13243	38959.23956	1482247.292	67374.27363	79906.95493	28868.49793	76044.73499	69251.17383	66226.28717	25219.24489	66352.04183	61801.41062	96726.74757	32184.05477	78372.48609	67204.49463	76887.45587	40945.14931	51710.55854	75181.95242	64944.12484	28549.51598	74375.4275	74113.27976	66828.11465	27079.83799	74494.86865	74006.57918
C21 H51 N7 O7 S2_2.415	1541334.198	1517664.931	1283107.667	1011107.901	891224.3253	1011248.782	880872.6762	1104046.874	1551116.948	925091.454	843851.6169	1993520.987	1478752.882	960152.1711	1668383.229	1343445.069	1687952.14	1196839.522	1406941.784	1597259.337	820440.8977	567914.7324	637846.6486	574196.3616	496155.9512	744311.8753	668234.6098	890489.5856	737391.7417	647298.2619	830080.4386	1385657.8	1032640.969	1486183.547	1279515.526	1181750.723	866005.7665	1111729.316	1209493.796	995757.7393	913638.4403	1625187.545	2456319.987	1594145.753	1302481.528	1136519.033	1336068.279	1163029.192	1005639.166	1117932.573	1510220.683	1139568.007	1494535.925	1188595.913	1071369.017	1207012.073	898763.6568	1475585.08	1368895.898	1426723.646	1668574.932	1548947.71	2028472.073	1491662.429	1764596.513	704841.0465	1416765.253	856553.5845	1220917.098	983366.5462	1205859.999	959158.454	790841.0613	1475869.833	1107673.278	894236.404	1099457.053	1859854.485	2277314.515	1125939.325	1316791.931	1282214.125	1712469.492	1280689.182	827029.7363	1340370.547	1080133.846	1025285.85	1120384.694	997478.8436	1025018.675	951379.0901	1259350.332	1015162.558	1465165.718	1204823.564	1536269.153	1657617.432	1567902.457	1286471.577	1509675.549	1012191.305	616070.8353	536030.4876	492831.8449	950579.9083	595089.7198	1024060.721	935254.923	814285.6058	499382.691	712027.2576	8818.465974	1169322.642	1222575.883	1214083.044	5830.896881	1105120.194	1199179.416	1308299.021	6453.441572	1166811.77	1111275.951	1301769.829	5696.870675	1083124.889	1105715.976	1162295.763	10054.10342	1274134.795	1246812.12	1327147.819	5679.376355	1060742.487	1142860.97
C22 H35 N5_2.423	308031.1456	580648.3148	777426.5977	684985.6323	510269.5109	478721.2191	564672.8648	341076.1205	784784.026	377906.2595	617352.0503	781377.3918	579401.1687	236979.5644	477178.4645	327390.9845	427382.8844	333553.321	411250.2335	330190.7022	37728.53263	24071.84682	27462.68086	57696.40068	28051.34202	22943.48478	32372.09009	26897.8223	30305.60715	36690.06086	1266640.263	1088506.063	540293.2222	1494057.196	1400229.994	1200186.997	1101911.456	1247234.613	1518311.868	741900.9386	1238988.892	92150.10441	270909.6093	100045.0557	38211.33287	44252.05868	419579.8981	516563.0759	625833.0419	582806.1003	690304.6365	698116.8903	478099.9172	519176.421	641980.4655	856999.444	585566.7277	278855.9697	226934.6799	361642.1082	219889.9927	295271.1634	553284.3742	640479.7513	498712.5107	462387.6949	866393.3188	519647.4436	368773.532	463327.2327	436182.7579	327656.009	438517.0127	434389.5037	650350.282	580736.3973	465089.3795	345941.0019	812342.984	301824.6828	247824.4772	731245.1007	476800.8009	271509.7595	500237.1069	622242.6847	878374.5787	890800.0702	635131.6958	679627.8882	391143.2541	621744.4524	406849.5209	370302.8206	891356.4622	609431.4345	738406.0508	559508.958	1077682.962	540680.3995	828290.9389	863969.1666	33443.94013	29668.37202	29342.2759	61752.65406	24338.3476	43341.65497	25809.19255	49115.91594	21515.52523	45316.67421	5154.407801	473567.6686	487462.1781	542999.0009	4800.958778	427405.3825	501397.6931	509721.777	4346.073097	443345.3765	502013.242	539041.8969	4533.351277	429075.5752	447493.3602	497583.8459	4188.874569	508725.4015	484858.308	582105.9251	4376.112885	398987.2549	472025.9176
C22 H47 N O13_2.415	2363460.246	2487816.509	2022834.487	1695543.896	1416852.024	1783358.269	1523043.346	1875749.507	2709692.027	1630099.956	1446526.396	3532359.929	2380377.217	1715576.526	2570416.977	2082755.752	2731625.377	2116407.979	2496202.216	2540792.989	1416813.298	961913.4624	1171085.259	989364.4893	896537.5493	1100033.603	1280223.373	1317960.098	1275521.731	1182202.2	1347102.544	2205329.15	1627275.872	2316110.141	2163548.539	1930354.936	1415969.772	1640321.173	1838713.579	1407986.175	1605832.926	2529060.207	3723109.551	2614989.593	1916226.529	1947276.032	2482155.283	1890467.63	1593998.995	1753215.947	2390988.615	1840725.894	2477146.77	1935449.98	1725153.73	2009903.54	1461415.876	2247172.329	2214227.631	2159399.239	2632217.336	2438351.137	3082093.112	2219602.214	2471724.981	1151743.992	2146203.48	1483326.914	1953823.733	1634544.724	1967345.987	1614346.518	1274759.245	2395631.06	1726369.49	1450059.904	1746804.226	2589508.625	3370048.118	1715084.139	2207018.995	2099456.831	2486183.417	1974630.312	1430413.113	2120889.285	1748780.882	1606684.618	1765905.525	1478530.787	1605354.997	1499238.11	2082780.067	1695345.443	2351821.573	2150581.768	2424703.245	2483570.987	2428600.449	2049108.703	2478610.364	1735398.087	996158.5083	853949.1393	829394.9108	1355718.936	997202.7408	1463558.903	1485325.061	1204160.03	895230.7537	1040761.888	8726.265117	1807324.687	1920249.789	2020513.036	5522.345998	1820710.507	1867718.743	2027253.467	6530.796569	1821933.52	1913946.07	1882813.961	10500.96159	1850175.746	1749215.829	2039608.51	6436.178647	1792591.14	1969926.636	2154609.208	5562.056949	1687512.549	1822758.446
C22 H47 N_2.408	72688.1152	211728.1289	106901.7683	38277.60635	33212.46052	87094.69103	33511.68822	47176.02491	46351.17656	63869.98083	41605.16768	82782.14398	47046.04028	45930.5424	47081.58478	28994.51034	44437.46853	67758.84253	33760.49017	29486.6702	226861.9077	38428.67515	37047.59052	50008.99039	145807.5452	36078.39405	38641.75383	34191.26551	55008.51605	42606.32326	73141.37182	83918.06728	318401.0868	20915.19119	82650.67948	69117.85581	69926.14982	36150.17733	65635.18358	18901.9079	50949.70369	98403.83771	119396.699	31038.30758	31703.89266	19622.61117	630291.119	94102.91167	100327.4015	71753.12585	38634.74063	28651.84034	34907.6526	169796.4328	63457.58788	352968.7104	48951.92308	40849.08547	40858.8239	79423.09025	26681.41972	49938.42109	29410.912	24306.18471	49109.46556	70320.17952	1749954.192	242095.6784	352079.3514	67212.73958	66177.39602	111146.8905	36430.02879	28408.34368	70468.30815	25026.14999	84201.79468	112423.9461	43844.65473	152815.8832	49310.13793	92849.77635	28683.63826	128261.8744	137949.9749	73822.93061	54785.55699	94129.34008	114946.2493	42488.80488	207231.7116	63814.20756	39263.28924	32615.24968	47842.61742	75245.95212	30201.38705	36410.45338	92561.41792	118968.1948	37769.08498	175304.0442	128817.9228	33894.63167	86951.74607	48122.67402	54780.22498	49087.25313	35276.64097	141987.219	35640.26818	63584.49195	10761.08135	78368.31112	81450.86181	77209.87834	12040.83216	81987.86626	95259.78505	81237.98761	9997.342202	81599.44869	81178.12743	81022.40252	11902.81972	87704.91634	71494.66979	86650.26153	9812.924795	61971.87874	77148.66574	124853.2229	6652.627119	72406.90707	67202.28346
C22 H47 N3 O4 P2_2.407	2145705.418	5281771.617	4301346.021	3755172.25	3667054.225	2799266.423	2991399.367	3386300.355	1475176.822	2831125.355	2584389.746	3349174.499	3669252.926	2830991.755	2816066.012	3867424.547	4071174.777	4277453.065	2522559.367	5899752.209	4993484.87	2636538.059	3599509.179	4693734.906	3799059.961	3881829.63	2982606.257	2278716.136	2650743.472	4498296.777	3525624.849	5745125.347	4072773.585	5001644.635	627158.8418	3155507.431	2462913.535	3187568.674	1130467.193	2597688.817	3081032.112	4666996.006	6350701.903	3339836.945	1797450.026	3613079.352	4688241.247	4262989.773	82253.60796	45712.13875	113695.1511	75456.52881	46220.2981	47050.66337	120124.6109	36312.1798	30603.78721	112769.6262	86319.90674	106727.2927	111598.9731	67293.15139	221971.1214	93292.61889	54510.37089	3122429.453	1797043.849	3754536.078	3599128.545	3643995.991	4155998.476	3352771.031	2900020.778	2696548.697	2796566.743	3057433.918	1818543.401	9351875.033	3533092.582	3303365.693	4302866.477	1959222.089	3689743.534	3585236.339	3296530.557	4988341.92	3139746.162	3753871.365	1843312.265	3383160.096	3438549.142	2354241.904	2286607.383	3430531.266	1296054.692	4335672.17	5394896.793	7937952.966	3234179.237	3967172.616	2152277.924	3495757.249	3110874.868	3583985.973	2731289.05	5853984.854	2323318.371	4877183.46	4473174.395	3131864.97	2654841.984	2978483.863	18748.48748	4025902.011	4297631.559	4363208.159	14931.48235	3700971.659	4464642.59	4406955.77	13124.87525	4039668.868	4128662.406	4226643.898	13118.3677	3736734.056	4125461.665	4011291.212	12863.06123	4273416.283	4291266.865	4994650.412	11084.12161	3583928.943	3961226.651
C22 H51 N10 O4 P3_2.209	1872059.299	1835772.895	1193697.373	1967096.813	1100203.861	2118907.2	1143877.933	1525078.354	1979776.517	1158172.7	1030915.455	1671612.259	1744858.391	841884.8883	1258022.917	881517.8523	851724.2597	816150.192	602076.7703	710107.0485	109872.4906	68101.2839	44663.99681	39485.55053	52282.75724	36934.22269	56940.76155	105366.0804	102036.1849	48059.91111	796580.018	2421791.521	1361877.112	1784299.665	1932713.596	1687475.927	1086610.59	664942.4248	2484740.328	1035299.544	998741.4261	1214135.463	940244.845	840292.4638	2197060.219	1253742.386	2568709.067	2203393.405	1528165.985	1324981.889	1786122.608	1348544.475	2264543.743	2468657.526	1406451.854	1108506.239	1635956.282	1023654.975	1420502.832	961263.5269	830059.5293	1185223.188	1929293.851	1074517.471	1634952.011	1314045.664	2332171.461	1539431.76	1475603.497	1360704.465	962184.4467	1201097.269	1330550.687	1440602.843	943088.0456	263929.7579	1382705.743	2224439.844	2314675.916	775940.5106	976571.6767	1099915.26	1290693.999	1058861.802	1597840.057	1900233.224	919342.5947	1047449.45	1218759.153	784442.2189	1011241.528	1266047.3	1670361.449	1182889.827	2004334.82	1044217.019	1042494.168	1019094.615	780411.9548	1095995.524	1178759.767	1070641.162	83784.43031	82176.39721	81348.98932	58839.83054	40021.24468	114698.7222	74980.50277	39015.26492	35758.23644	97260.18148	25368.90607	1715767.376	1092309.593	974088.6789	17482.56353	522029.569	926403.705	2195464.442	9000.971065	1446342.615	1032331.869	1282654.947	8880.65403	758828.5826	1290613.706	1261326.305	8322.100369	793752.3713	1480804.089	1441606.653	6376.757358	1195740.592	1078233.128
C23 H40 Cl N_2.45	261830.2796	484769.6134	633022.1623	10604.72544	411388.005	385861.3117	466222.6455	8686.685146	686356.3243	308647.6288	512996.1842	689673.1428	496744.9353	207235.9978	416198.3603	278215.2376	375811.8299	266358.4436	343614.2377	279131.1075	21574.71971	13000.7724	19465.69363	14146.71037	13655.45991	10464.40354	14291.9449	12553.16532	13073.26114	17046.97646	1108170.665	852567.5763	438440.2796	1291475.745	1007768.475	929401.5517	824761.0084	985787.3706	1250494.317	646480.1173	1044854.085	69331.38385	238772.4163	92908.83814	35761.13843	44605.90994	353023.4662	436247.8205	535969.9922	485282.3129	573512.7832	560304.7384	397495.2945	441788.7087	3479829.088	686715.654	463172.0291	228987.229	213736.7961	298791.0311	195013.6168	285813.6037	485436.4816	566648.0028	401037.7966	365976.7343	695249.7437	438798.516	307916.8632	382809.8264	362316.3269	270745.0608	352703.3228	358235.0566	532090.5891	478865.9074	404708.2013	327444.4294	696813.813	262702.1001	221517.65	591183.4098	414991.747	236511.6005	438891.6625	553711.1129	704602.2763	689194.5672	567903.8371	542200.7438	338978.7218	14656.38498	332882.3639	309506.1414	701648.0127	514803.9236	641359.6521	472110.1972	845810.162	450567.8615	669026.5022	695278.3996	36793.92958	19828.48718	16602.46269	17482.32525	15696.43745	32849.77908	11914.46914	14312.0295	10688.41866	45214.10953	7447.239205	412042.9472	409615.7265	459595.1256	10898.48164	362682.1867	425030.6367	468894.6003	7870.23238	373825.3253	422114.5997	447939.9617	5728.516984	368704.2168	382090.8476	430056.6053	5761.648182	435221.9811	421494.7146	501484.9523	6628.841279	345508.1031	393208.8129
C23 H40 Cl N_3.485	146234.9487	251854.7694	357634.5096	349002.1406	207324.9328	196750.1964	239258.3941	157440.2474	267850.0601	165716.4631	259996.968	362853.1983	292768.1198	113677.9963	195784.6843	160438.7748	192201.8085	163319.4588	193969.0998	194285.506	11083.77388	10215.91225	9632.596576	19321.22807	9304.931448	15026.99239	9767.864241	15831.57166	11295.2278	25287.46603	500906.2362	472749.4043	223496.9437	615798.8369	516458.1442	465364.1214	496604.6565	445194.3965	698927.4642	285754.4047	509234.4198	50506.55573	94756.50486	76841.68841	25449.31184	17190.74342	167047.3323	247704.8508	313132.2163	245664.1669	252298.6797	251296.342	172880.2387	227426.9771	2411427.603	347966.8146	217688.4116	136252.2259	114263.5519	156685.6989	98080.57736	148102.3748	222531.0318	305878.1347	230062.8381	222725.2651	387673.1902	224252.7824	180653.1805	255919.0764	224750.5743	171946.8585	200182.1733	190899.7408	321014.4557	271972.4617	282714.6827	174553.0685	369747.3056	148050.5395	124825.0475	388749.0464	265461.6307	141939.6078	237638.6996	294206.9931	349110.3471	390985.6087	300509.9207	293461.1214	7952.481015	286758.3036	170298.2117	145388.8268	432135.5468	268171.6927	378581.6149	291648.9715	478170.0593	241366.5285	405102.706	436416.8875	36097.65312	9489.790134	26591.92511	22261.48241	18242.37585	12142.37883	39434.88987	24317.35756	12488.09132	42839.72049	12176.85497	235312.3066	239135.2326	216091.5093	9855.763856	214231.7202	248640.8604	235059.6301	8247.872537	236970.337	223016.8438	246253.0735	9109.109968	244805.9518	209857.2379	222954.5168	8810.761908	221490.2497	249227.4036	256521.2293	9362.099018	208354.3541	230085.5164
C23 H41 N O_2.5	21212.7765	108474.7165	15541.84155	18348.42693	16039.40251	12861.79266	24353.87915	19360.30011	17345.40042	10472.15732	12276.11438	17334.64212	16991.89767	16621.08593	24333.89824	14172.7313	14669.89426	14433.56595	12899.08555	13315.68338	21760.0057	14888.26529	15141.77455	15168.85575	14632.95942	13857.8551	15138.71737	14661.03124	17295.55462	15246.0524	17224.02067	15180.22617	16228.67383	16140.37179	13921.28582	17028.43299	12389.93939	14424.33453	19733.68621	16178.60975	12924.6708	17752.29966	19879.79054	19108.31856	10542.1546	14358.25747	17397.44219	20969.57673	18476.88538	25077.08605	18773.46647	16093.76084	16047.32156	17976.9223	3658049.896	15184.67282	13245.76962	27349.56894	16990.2676	18385.15482	20610.16096	16568.79995	18616.18393	20081.326	20121.27545	13523.23655	15950.21147	13328.0169	13131.91344	12887.42234	20954.85442	12284.22358	12091.61985	12923.69396	12655.66677	11278.64764	16785.75008	16728.56911	16136.62853	19613.49742	22528.70936	12752.04684	17258.38364	13401.51531	16123.2843	15779.11656	15215.51988	22255.2362	12831.81513	13070.27001	17706.99833	12599.02866	12677.54114	18098.76046	14206.28547	19568.62255	16945.48273	14351.15322	14102.5182	15365.77826	13824.27941	11291.00536	18546.20757	15442.5428	15046.38456	15684.03803	14070.47972	18650.69793	14811.92863	14065.84121	12744.4944	12666.7401	16960.47161	21191.50182	17035.83766	21054.26931	15092.82133	15735.6924	14377.70864	25589.61444	11266.20019	19075.98367	20618.48566	22902.20485	12331.25431	24691.48897	15987.77236	16891.3129	11967.2637	26658.82034	22280.05784	30751.10552	10766.15884	12338.56222	22072.84313
C23 H41 N O_3.54	36183.39967	128785.609	24255.51031	27417.29824	17980.14179	17306.50085	32118.31537	19793.48276	24446.59705	22677.94933	21957.9366	47213.5693	23625.53567	25403.47485	31997.67931	24219.86041	20767.13594	19095.73563	20769.0562	23323.65601	23460.87736	23105.67724	22854.2258	23473.40389	20107.76638	21704.76316	15959.38361	19564.56037	19412.18752	21303.24521	24739.69614	27096.42035	26901.32705	24950.35647	20883.60678	24485.38112	21353.96641	26074.02583	40526.61106	25702.46062	24770.49352	26380.96698	24350.81635	25197.14963	14914.14704	24505.43563	23398.39106	26750.74288	24274.58714	37147.26266	22336.68787	19162.91179	21509.40352	23324.52423	4742396.762	18781.86711	21648.8463	25568.07346	23296.17169	25375.77371	23090.99079	20470.22704	34686.89854	18735.83982	25661.99494	25026.33363	25214.2722	24927.52212	25480.5998	23879.07885	22725.99123	18992.41924	16920.00394	17738.31508	21516.74095	23499.30634	22598.50143	26524.05042	22727.46125	22450.3913	22025.49226	21859.60464	18752.20906	19953.43065	24395.73372	23951.47073	23746.35546	24461.51645	20464.36255	22972.89117	25810.70747	29094.67149	17308.76401	22952.63027	22218.67067	26765.94933	23241.29885	28731.97156	22414.48607	17284.20672	18092.39209	28745.29851	26291.72971	21947.17174	22276.43095	24544.69875	22225.78125	23009.16949	32015.10946	22299.71656	23053.14442	28623.09583	27327.74369	41889.59336	29864.75417	31942.66997	26099.06363	33798.36289	52949.12524	26819.65433	21723.83339	31361.66769	26284.1634	42369.91106	17755.98565	45276.30848	29242.63826	36258.8114	25140.75809	45395.28571	27425.31851	47337.83689	26325.68403	30759.2135	32290.46883
C23 H41 N_2.447	344958.8833	3950133.823	177761.1139	131668.5734	137185.5451	162405.5368	363917.8528	119225.9885	133755.7996	82162.81263	301738.0255	419471.1421	626392.8348	162459.7154	251743.2064	208623.1593	238463.4824	206221.8915	113373.1606	93430.85858	251960.2133	130984.177	133903.4917	157338.3887	161764.1906	130500.4171	166981.9022	83643.7747	140736.8507	1435025.246	165647.2517	176240.8168	281817.9487	149390.1433	173100.9894	128682.2212	287912.8708	316836.6604	13940612.67	187331.6371	70408.77448	126411.9243	264612.0773	213691.7431	62154.31997	108657.0823	428685.6431	355102.4934	137188.1215	401098.174	171729.4921	540906.4291	119038.6969	340558.0376	78207722.69	179497.4006	126663.7608	296631.1791	174407.4433	223057.4156	276494.7262	576450.5869	198492.7785	234654.6374	248599.4096	108270.1267	972486.779	542932.1648	283085.8284	176136.5393	326651.1598	120304.1395	150740.5954	153512.7129	97934.6218	138812.5091	155809.3836	229442.775	138797.5589	334832.7626	155736.0103	226998.5048	186890.1173	272119.7615	281847.102	212818.2549	215796.6271	134914.5131	184626.164	403909.916	434972.0191	105640.0925	211918.5502	95310.77133	158035.3235	337589.6135	141356.8091	576381.7941	168013.4583	281220.5037	171200.8207	299290.6513	238596.3294	118338.8041	152491.244	356907.4608	140783.6275	319956.4069	89614.04526	113118.121	158798.6732	488130.9239	93803.73199	939436.7519	984138.8171	1007239.573	19826.52727	888983.0442	935871.2906	965005.9085	69122.79054	968456.2524	941029.9622	1030843.186	77280.24025	919376.3952	951166.0033	921459.043	53181.07777	943855.4293	979853.3026	1078521.505	47788.80137	863335.2744	932958.4287
C23 H41 N_3.485	285909.8739	2301330.816	190740.6917	171708.2989	138021.183	144801.0626	270212.4009	142739.733	126553.176	83003.06749	245368.374	334148.1817	454000.3025	171631.3245	271625.1688	226552.9757	204309.0804	227264.6824	119080.5701	142218.5396	224874.1898	170312.77	183974.8435	176381.7733	176073.8441	172567.7889	160675.2876	116948.3284	175026.1248	1084578.942	156916.4869	195820.5123	264510.1217	165885.4961	158612	136288.8259	236227.869	237557.062	12241848.03	173033.0814	83765.14541	204915.9034	227334.7569	221271.8128	101595.2093	128637.1382	383598.3011	319976.8538	171912.5141	304547.6221	171995.8494	361292.0966	131354.7607	298819.0904	57993422.47	168491.3314	119237.7637	284484.6742	201162.2921	217972.9059	232420.6931	455145.5783	198425.6674	171603.9166	233881.4739	143366.2174	850041.2839	492837.7166	304963.4114	231480.7559	305877.57	139389.8167	186405.7506	164898.3593	137523.5171	141563.057	215383.75	284670.9225	187047.0391	302165.6383	201193.118	227103.6702	212046.1773	251535.7451	252870.1812	203474.2984	182890.5239	159879.9619	175185.8058	272095.3006	380978.1822	123283.3855	174879.32	99661.6728	152655.5196	299914.7655	172852.1328	531563.9817	190226.7116	267952.3364	186202.8941	284304.4549	266013.2038	158830.3347	171901.6602	350671.9374	211259.0745	277322.3601	138460.6789	151724.2483	218066.2744	428125.9179	206797.0172	820127.4873	842591.8682	738135.3547	295072.6799	725598.206	845716.2543	801562.2066	300056.3476	815964.3704	781043.7508	841426.0928	249658.3824	803217.0732	749527.7226	788937.6507	221650.4039	841845.2477	771280.5293	889168.6235	283941.5214	716385.6945	804339.8545
C23 H41 N5 O8_2.249	34558897.17	29739770.33	21447179.59	18783380.41	14471882.93	18951355.72	14258389.92	24972909.59	31612872.75	18498492.12	16999114.01	18199323.41	10158479.23	6003973.07	14317449.78	8548452.765	13395174.53	7973354.527	9785642.567	14362301.26	1367106.864	880226.3783	972737.2264	844373.3139	1106325.347	1131866.851	772010.0582	1025882.711	980029.0581	803437.6291	14232995.87	27549953.95	17806386.38	29218378.44	29522188.02	19078180.77	14756182.68	19440656.39	26166261.91	16145969.23	19542339.83	8105043.926	14320373.96	9717111.808	10253411.01	9036431.998	27592779.07	20847094.61	15391294.68	17849370.71	28553039.78	15562258.39	32823312.92	20234052.31	18634306.26	28085376.88	12562403.03	9474532.97	9151383.368	8448270.975	15080366.82	12279839.92	17971541.56	10788460.92	13292211.64	12176075.73	28774578.42	15545212.84	23680402.1	17672908.14	21907728.89	17432127.3	12181184.29	31938022.4	17752127.36	16803442.43	7818513.887	15348290.87	18995309.25	7595928.917	9102298.041	11361356.78	12821576.26	7394128.143	14709513.72	23733312.47	16708291.54	16480192.57	17566666.6	13751757.71	17605062.01	15052529.8	29180565.25	20536189.11	29849002.45	8887516.026	12078615.79	14254075.58	11392911.07	8601672.933	14140886.2	8444183.306	905582.8755	915247.0749	655320.5377	923494.0178	813740.1106	1317537.917	1235370.535	982867.5656	686753.99	1014683.694	19399.80476	14501502.92	14827983.59	14658357.91	16937.16024	12224690.42	14485452.14	15012233.07	12762.93756	14616171.39	14895877.63	15690397.63	15037.80907	12567129.17	13581579.41	12825483.99	22188.61557	15047133.83	14950170.7	17284517	27989.06726	13387383.25	12763684.29
C23 H46 N2 O3_2.406	56893.4057	1114698.298	36926.2305	31072.60115	120168.1699	142850.1159	254329.2262	60916.04787	73179.30135	15001.45019	47112.18884	143218.2455	115437.359	77243.85803	74332.76575	53602.00018	67922.437	196182.0356	22236.43101	34912.95523	2379380.208	71460.07063	66098.37187	80900.91393	380788.7547	37554.83967	36289.59467	47655.25804	131165.1198	45778.01038	156845.9055	213469.7368	537777.25	31954.08054	58740.00923	43440.14008	668172.4583	63802.03502	79393.36796	37194.48142	31950.57636	79737.87508	38362.34081	128151.8253	16412.92567	23969.64994	201898.8485	105951.4451	47105.38852	202081.7719	38241.14801	88486.37067	59655.61065	300636.7555	108071.1109	180535.2206	26043.15432	58642.89018	37127.25285	51210.17409	122962.7432	118514.2645	151514.3286	42984.06205	49313.3088	49403.28605	1063420.137	93256.39272	321867.8379	129982.719	151228.5833	37187.98913	195579.0427	232144.9883	51306.93735	48760.21297	79279.70926	763672.9954	30831.04729	120338.1786	90912.50921	59960.53923	32329.04767	3231074.279	737424.2938	298594.1479	396898.5943	48264.30752	140680.6961	247281.7028	74735.45068	28788.82015	59718.43817	15517.04285	99701.32758	370573.1638	188894.9388	28969.88746	135680.2973	74126.11126	80065.30735	463802.5902	831613.8868	34199.31599	31759.64409	124420.3164	46160.38071	48093.64754	363965.6114	841720.9799	125422.3623	166349.0226	48374.46376	224347.1878	273594.8066	244655.0941	221804.7533	219818.9363	220503.7221	279935.2975	248833.7931	253203.2007	217453.0561	263681.2249	201418.5979	240925.431	219224.4934	211380.9269	199417.7079	246325.9881	271335.15	258092.679	165445.5096	210988.1223	249681.0149
C23 H49 N_2.415	50680.8879	353871.192	52748.07557	19121.90097	18515.79261	103440.5567	68406.67018	61080.35889	56237.4674	27912.76013	20874.33553	49304.17732	43948.94652	42988.5944	29819.79208	30874.88374	35041.43442	57305.61323	36417.78134	34529.2315	61821.56956	32757.21808	38688.97915	35553.35631	94695.6475	33250.26558	49338.1557	44812.77252	67486.79613	67195.68677	77805.93012	36656.26929	139298.2234	26087.82497	29124.87774	47197.93115	99302.76224	22348.19429	57456.11431	25528.27226	21768.93622	49533.63863	41631.64828	28688.87102	20762.50418	30187.38934	69673.80012	56853.75547	55736.67784	21549.38432	23086.83882	21305.23356	22468.27396	206406.979	24649.05919	45101.89393	26145.75848	28909.41013	31313.77755	31486.17502	27975.92424	35525.52548	60678.74754	37489.55508	59625.20245	17282.1696	242815.3153	20300.14	168760.5392	45528.53814	32234.48723	26324.40155	17877.35941	38452.162	45374.60166	22768.33529	39485.4445	193046.0901	33656.61585	33349.35103	31575.3253	27017.0635	36365.38653	243138.228	243962.8691	25923.78855	60177.41709	67796.3813	60826.37298	35805.03546	28465.61679	32312.57832	25863.06883	22136.31893	89738.08178	72911.829	31971.28435	25495.70038	44428.96515	29031.1746	34715.64812	92913.59989	40351.96651	37140.44212	34722.46451	54027.50381	42030.49712	57439.84209	42396.88353	3728077.136	73042.75217	88143.68964	11958.24201	52100.16078	55241.87794	70009.58077	10244.6955	60146.13237	45905.79499	64357.90172	6707.56584	64714.12374	38782.919	68050.10714	6036.654249	65356.59388	68125.98917	53835.24376	13030.81442	55506.45331	49243.99575	51604.42528	7470.523998	54238.98509	67999.88398
C23 H49 N_3.47	13456.5623	149586.7193	45256.60947	21610.6825	9576.139331	79190.49398	45530.10716	40744.758	57265.6784	15900.0316	9599.411887	28425.1229	10964.70043	27076.7052	9276.632376	12527.1214	17782.2873	38679.60381	37119.85307	38844.21009	32068.31224	13250.28539	39288.38383	11782.08624	50138.65747	45186.29791	13676.35666	28595.02121	82311.92763	23440.38747	49969.0128	41014.07855	80555.01871	9586.516727	16371.93611	42903.78353	49265.2108	13107.49612	35410.15097	9406.281893	11463.2963	46608.75483	10034.04759	10940.41614	12449.9343	31956.2023	53972.13717	33808.89918	40530.90392	9662.695351	9029.242599	9570.51865	16562.26107	146687.3751	20260.86966	51037.35642	22701.71163	8618.001055	17666.57015	26953.00584	27477.83774	19422.69702	36322.10643	24579.84482	73807.97645	25890.95874	142114.6604	14055.68839	140167.8022	62321.71262	11917.25989	30962.66489	12074.75051	14530.87747	43111.05978	14835.6154	40630.32516	124538.1133	23488.0788	25590.8812	27866.80937	9268.826175	21817.02476	218794.5127	114994.8781	62852.44452	30925.40099	31675.32333	75213.73187	25205.43917	24494.3987	34842.0736	13126.06445	9820.529949	81315.62635	51734.48205	12429.78725	26266.85136	37867.85582	9233.932309	47233.96981	58581.84774	27526.64654	7889.488757	24703.70108	47867.68786	16645.57049	8494.245657	39003.83927	3004573.861	68837.96119	91168.11155	15726.3321	39458.47113	35587.94753	31298.05849	39353.87113	44212.1317	46123.18986	46940.41278	38034.94311	32385.27619	44328.17392	50370.68659	50896.45845	30112.26451	41082.62307	24416.08621	47398.94087	30447.68041	42774.87737	45276.55601	47326.64916	35214.35107	43541.75365
C24 H42 N6 O3 P2_2.23	3126058.786	1801616.014	1022695.195	1689334.363	962392.0339	1713867.666	1460029.859	1315215.396	1583747.405	1481958.66	1078996.627	1314868.53	696513.045	276960.658	1034662.195	728580.28	610700.2524	485969.3406	523664.3546	523966.4465	2549846.993	1210842.134	1307848.297	1528780.398	1072006.909	24791.67943	17474.84915	36523.32057	29954.83471	20878.30828	1667700.603	2147354.418	1829084.121	1733469.691	2504941.909	1034457.531	1029302.55	1923562.017	2730117.468	1231258.199	2580076.105	581687.3175	602915.8926	377972.6611	1160754.851	673537.9108	3292637.182	1634227.739	1193517.784	1531559.998	1464122.478	910287.0376	1673904.792	1233174.806	1330463.671	530876.8597	1084290.969	787878.9874	616999.5092	553833.3533	531548.0475	606641.1193	809171.084	637692.0513	1221677.307	1251588.316	2186609.118	1370235.607	1428800.647	1055689.687	965580.2339	789052.1786	930239.4646	1292866.398	1160649.506	720413.4577	722703.914	1146352.6	1156347.434	483898.6064	645094.1542	665380.7242	656305.7085	537724.9834	1420772.402	1542116.216	1010643.548	857608.1999	959498.9679	413666.864	1386996.08	1184287.411	1409796.667	1374997.207	2756611.484	481127.9701	642152.1793	758024.1877	583116.4945	628199.1844	923478.1911	699567.1592	1509685.069	1625387.555	1157219.498	40194.32535	574027.334	67342.00813	29079.27253	26840.58874	29100.66608	58425.94145	22993.70857	1225634.719	1223016.11	756455.4795	15251.2715	513777.7554	1501928.147	1030270.875	10393.31362	979165.6108	1174949.521	1118011.635	8830.291025	808449.619	777776.8655	1495420.792	6964.060306	780881.6566	910178.546	1343411.762	5006.113502	1281467.202	661589.5127
C24 H55 N7 O14_2.398	805471.0871	834192.6042	648357.0624	575481.5197	469594.2188	551978.1047	503866.892	616531.629	909430.8217	527607.7847	487636.6323	1216392.839	874671.31	574262.0724	1040544.875	778279.2949	1108768.966	684384.9423	772003.6568	958394.7418	472410.9325	256530.2764	273870.5308	338533.6674	236519.5874	335951.6852	313892.8706	513215.2078	344724.2429	378733.7092	453609.4379	794922.84	597976.4537	800631.6952	772503.3038	628575.1191	530624.224	561308.8833	697130.2924	506537.8103	549465.2731	916202.8512	1292868.968	887803.723	746835.3717	725233.9509	826281.7111	709519.839	20139.24804	603775.8728	857485.9315	689217.0509	902731.2958	632069.1187	606565.2614	711593.94	481561.9276	860718.9594	900983.2171	807684.432	957099.3124	1078098.365	1291923.239	924933.9525	1118278.118	410589.0828	717150.2055	493742.699	697954.2765	545916.3231	657707.424	494063.9292	389150.9892	819306.0805	617788.0243	545646.2546	746437.4744	951710.9805	1486452.054	701220.241	730322.8469	680584.0012	1107298.668	734041.8717	465237.2371	862124.8114	591705.243	527486.6956	591469.2792	563277.5003	494063.8587	477206.9283	704404.3831	593928.5186	909002.551	757173.0508	934997.9932	981766.2019	901536.0402	709984.4223	868177.1952	668757.7211	315579.469	370496.4388	244166.5991	568518.9655	303088.8117	573100.0687	594664.0889	434881.4154	317272.3708	438231.0705	9936.806486	669584.6098	649018.2343	711666.1366	8413.368043	614162.1968	689587.1478	674686.8845	7115.928386	613209.8431	666574.0745	716204.5155	6664.120165	648416.4874	673904.4467	668057.5831	7383.984472	623732.3955	667246.8358	772308.6855	7091.298765	609067.7587	626128.9819
C25 H45 N_2.44	62077.19073	1252316.744	21416.36536	9340.72113	22180.76756	21729.74066	56276.10037	14854.81451	20044.18767	9853.695564	95705.49656	135114.0893	96529.25236	19426.53432	41163.44499	22943.98763	22918.44944	18889.55296	9073.764975	10084.13543	36532.04536	17628.37542	13663.45231	19981.14429	12473.68294	11844.1078	62381.55028	15307.1703	24009.4335	602762.3635	26803.80032	17203.53095	66290.53507	40510.26939	29776.82319	26086.26259	77404.21785	80450.14588	3343356.836	44070.37852	19762.25837	43648.0034	32937.1198	49967.56944	14134.53453	20080.10795	102621.7324	39066.36116	22396.07851	76775.14162	23624.05693	185094.1862	21767.7284	70223.25956	15722844.48	19744.33017	20178.37144	155377.0914	32508.79419	29064.71339	27211.3291	146465.3499	37551.48154	41966.3625	58254.37797	18283.43595	152386.4217	113806.6206	103478.5918	39113.57615	104249.3094	15416.89398	35290.47074	8958.757285	10107.41216	7550.191437	19632.79842	54298.87092	14135.20854	56657.54712	10083.04486	45728.79052	25844.63872	68487.17408	45786.60207	29581.60784	26640.9405	10199.04377	45989.33454	72553.1959	68785.68626	6474.591614	31401.89766	12101.47193	13767.07955	75348.87579	21053.11928	109599.1739	35846.07595	63337.80404	34226.8543	75960.22974	29355.91642	18371.51445	22187.84455	599637.9298	20428.21083	31405.94638	14881.81203	17802.75827	12629.90757	106983.9398	6321.480117	173480.9705	182744.8755	179972.7891	6717.090324	145161.0386	197722.8205	202237.1065	10619.57868	188952.2967	149849.0896	214249.9358	4512.531648	143801.4466	156123.4004	169876.4289	4555.311621	186221.1792	189431.1747	223488.0682	4266.567403	143827.4107	166640.9196
C25 H45 N_3.478	36296.02036	540030.7689	24690.48699	23960.82413	19221.72356	27584.40131	43012.61195	27109.80778	14115.44524	12476.4012	63353.3816	69657.70038	52111.93276	26004.69474	44581.7329	35429.59364	19153.8109	39882.19279	11306.98508	12051.92381	41277.73916	16332.36041	14281.77562	24615.78098	14849.8724	18693.31257	34472.56609	11263.03359	26887.33897	341839.4389	12744.74541	26535.08471	52703.82399	21087.81365	13092.19382	14687.1464	43379.52132	50700.48981	2248659.598	28284.48568	11094.27433	17485.97145	36405.78123	39442.71371	12943.30334	22924.50192	43081.27503	41323.73777	28249.11908	39449.62998	20541.78555	83925.62005	14741.40895	55288.91672	8286814.118	20436.59073	12775.95285	104958.9287	24044.50183	34516.02779	29514.87202	107295.5851	30408.73471	38064.63658	27363.15751	21349.78452	80969.41667	63928.05086	79258.43794	40872.4785	67337.64545	15027.92042	29813.7602	22431.58284	8953.078825	16392.74291	41223.18477	50389.87246	20481.1929	45067.70998	27606.38952	50277.14858	36039.70404	49872.49953	42885.30035	24548.09823	32712.92656	23503.50323	25316.67709	52814.12926	43987.72303	10230.6101	19726.56424	11454.43705	14931.43664	38711.48983	20996.66103	85636.71652	27614.01079	36937.26618	33367.98477	51647.22653	35896.26951	17314.00493	23655.83133	381651.0859	33181.53118	39723.65112	14300.81841	14168.05846	38083.66261	91956.29515	35043.59849	112291.4725	108853.3095	97203.13525	37489.63087	110310.9751	130362.9908	105085.5935	50784.76802	114569.6187	94536.81061	126462.5738	36568.08535	108089.1936	111341.3233	98300.08793	33908.76109	108374.9723	119964.5641	122003.4679	51707.33036	90536.70913	115534.1082
C25 H45 N5 O9_2.231	53936162.14	47730953.26	33088562.16	29918864.12	24341067.78	32792075.42	22659508.1	37954325.85	41577670.38	27760432.9	24896598.13	33801530.28	19867483.48	13618919.86	29318893.73	17521227.22	26171697.21	17055461.86	18935492.35	27274079.79	2922534.436	2004378.532	1933074.032	1831998.806	1767491.308	2547555.078	1752859.617	1973223.627	2129632.407	1845606.471	22845057.21	43197113.24	28115046.47	44929292.87	40627689.53	29904558.74	23677379.2	22896794.11	37637096.81	23058443.05	27781993.35	15303535.52	26838352.65	20961884.56	21110477.49	17226862.99	43743855.54	32797319.47	25583027.43	24350424.43	44573782.9	29365515.36	52592122.06	29646258.49	28059043.88	39841824.52	20683001.37	19344053.95	19295424.47	18906322.26	28441098.57	24200654.46	33768231.73	19281052.81	22068402.82	20784925.01	45223536.81	24319138.48	37967918.07	28183845.45	33418343.38	27036534.45	20506200.48	48975389.81	25482291.67	26053879.67	17389299.15	29454803.38	38048612.48	16945531.43	18225725.43	19581723.45	24675172.34	16527602.85	22027486.76	38639464.22	27315941.67	26478986.88	30177859.14	22261696.74	29531227.46	24954546.15	45126153.76	31714038.91	44826291.97	16940659.16	22856529.51	27447425.94	21625417.77	16803114.83	26256325.43	15610126.41	1460507.775	1433043.486	1632367.917	2108075.317	1691380.576	3457640.672	2951205.315	2276541.501	1303128.002	2118836.068	27937.74005	25374215.77	23049340.31	24727565.58	16957.48016	22921465.11	24130231.71	26096351.31	19028.07544	23806107.18	24495261.83	27655412.46	24918.38792	21580493.56	22839106.71	25625326.99	18743.34945	20401021.33	26855565.01	28241299.59	20050.16118	21995360.2	22902823.44
C25 H50 N2 O3_2.401	26959.92476	1062005.005	62287.12415	34346.28825	54601.10829	94900.68962	141969.5773	25229.20484	34114.37134	28421.35124	15460.40704	83517.34766	83073.5923	60873.1039	59490.83824	47078.28567	37017.45591	123712.4294	45916.73462	32544.19987	1960623.786	65054.7507	46324.91446	63220.20049	216893.941	64014.29692	57950.04182	59501.69081	101639.9021	77925.92612	100394.7642	138733.9706	254487.021	22738.52764	34726.36232	25953.85509	592385.5905	16294.69419	44180.13769	33370.05764	13923.83876	63249.19371	54235.00994	62698.48395	19134.88746	23564.20744	54123.01751	38213.76186	32814.81081	125037.3808	23572.3478	41177.66542	21496.51175	223871.9489	56705.65499	162990.7516	15781.7065	37682.81392	29690.52828	33114.15687	57935.9169	74469.49415	72849.02066	39400.30836	29812.50556	33769.43533	940004.7749	47685.68353	158123.9541	57684.75965	74769.33649	20450.57911	85846.40194	131103.789	29912.94431	17119.8328	32713.59694	542314.5753	41924.02051	42559.41931	74163.43746	54621.0036	32793.13294	2593827.27	706539.0682	154117.9829	204855.271	41945.65382	47408.34362	219726.1114	41106.30521	18291.69859	22370.42284	32340.83446	48876.13571	260431.825	65955.09265	46295.07193	74924.72086	40463.66685	32518.56925	320024.9295	318480.9439	45584.40853	39357.71812	60236.32871	72823.71929	56446.85147	129442.2262	622613.9625	79678.79248	140041.4038	33076.77218	159352.6775	175472.6943	176211.821	149889.6049	129549.8176	178052.6417	199499.7606	169573.8532	146172.2579	145236.1119	197707.999	143707.1185	138492.264	184004.2957	132745.5502	135709.4509	190790.4845	163005.7865	147035.7401	128157.7039	159496.3512	180241.6836
C25 H53 N_2.413	143190.0686	1093570.278	117332.3543	29031.60295	49561.84406	167023.4593	231783.1933	178795.7809	88074.55018	19977.5971	37075.94641	75964.61123	56494.74631	177338.6703	24412.61496	25164.3519	30382.05912	244613.267	39934.54307	55865.2063	115530.1936	90193.2921	77800.14733	95023.5142	215481.254	104201.2072	45241.55638	39700.86006	145965.2593	103383.916	182933.2642	106779.3427	302860.2015	23363.70348	108220.7016	145392.1727	328502.3974	17223.93385	141814.4648	67082.94734	17684.379	31436.25764	33949.72164	38859.0285	24238.66896	157668.8622	174009.7744	83417.69393	117233.1314	52693.62638	21653.65863	60160.60469	21651.33887	526113.9679	31284.4091	20246.2431	34516.6918	28343.71519	24981.92502	52185.93883	76748.25088	98556.9388	174780.3727	32416.98388	43931.84865	17944.12012	560208.4039	66224.70183	610710.5216	58740.01946	34024.0862	18136.44748	27192.99313	135364.4037	34723.59484	29827.28031	18266.93835	550507.1331	27408.54718	89514.59974	65824.60714	89942.32673	32832.76991	784656.8463	764549.187	131659.6671	191018.8638	147418.5883	50657.81595	100372.3243	52564.52376	33693.97001	51478.34799	35694.05167	172254.5735	265884.1271	56547.3175	32200.58029	48179.47874	34496.25547	109634.9265	366651.728	142310.3763	30201.38854	28118.81137	222191.6269	35321.95898	50499.0593	104341.8991	14888065.04	242502.3808	309734.4039	8151.43986	186948.3204	191374.3758	174356.0323	5256.247908	184345.0106	195637.5844	254931.6217	11289.56243	190014.0493	154309.2363	218305.926	14310.14764	165235.8953	186630.5648	185184.5326	7271.845048	190414.1646	170647.4589	201586.7691	6220.859427	174231.9842	211770.5403
C25 H53 N_3.461	81272.96219	560512.7594	60994.65189	33969.3517	47046.81784	97325.2186	133482.9197	109338.9545	86865.64668	44748.22285	36986.90557	55094.42795	45711.44247	101147.0241	24044.01782	24033.15825	54506.93459	159870.5401	31572.38291	48859.23508	80339.26698	67402.9841	52004.93527	75972.96624	146778.8072	96460.94156	40684.07071	62371.14001	151181.872	94884.38293	88639.17409	144339.0055	176722.5806	28539.67373	70986.43969	68951.05743	183968.8557	20708.16854	95377.66618	49573.13369	21075.40289	10995.35974	21062.94175	34270.98715	41730.45994	124223.3116	96030.36764	51803.51104	77682.8474	31662.85428	24600.28251	51075.27711	30884.25715	243636.8214	30564.47676	104674.7495	27595.6277	31815.20773	14664.87163	34435.32342	49993.37164	93079.11797	134400.8014	62341.04506	30584.16735	20450.51025	351453.1489	41190.89511	363355.9559	57943.10662	38159.38982	13020.93797	28908.52338	80539.8935	27772.02211	32365.02347	18412.19288	349355.979	12114.60176	62463.5706	85272.3388	58899.37787	30679.92355	500554.0314	414552.2506	233095.8015	114902.7304	82290.24693	36589.40503	68681.73744	36097.46443	39395.01361	51070.17726	38465.91482	316499.7569	167673.5126	52094.93873	46820.599	37318.79857	39121.58644	78748.50698	263365.5264	117401.0995	23059.50619	26910.90649	159910.3701	51882.73717	33007.58124	101383.1113	9772806.072	193817.6023	231709.5717	119285.058	130141.5144	110630.1389	113230.5272	158539.385	117339.6623	138668.9788	119588.1524	187336.8327	151547.2862	114549.8667	142900.265	187015.9031	97838.32473	117546.0843	123793.0881	203464.2114	113633.5604	125023.2296	125182.7226	231207.2232	117238.7143	131052.8385
C26 H45 N5_2.448	260282.499	1271417.104	621141.9889	299387.908	1516461.75	347899.6645	358654.3823	218992.3114	517893.3653	237879.794	245437.4841	488541.5805	716515.6527	241779.7308	264545.7151	341717.5822	324552.8201	409414.812	258956.4982	179177.9501	1964695.885	54564.04144	347716.8435	30194.42408	219625.8981	106385.0993	28747.18001	39397.16871	87970.59077	20773.59103	674475.5069	641152.4802	546149.7594	907797.4527	690406.4378	615425.9521	693455.2064	659686.5894	1498902.062	482860.4392	416740.1754	444485.5908	502407.8468	328001.27	163622.2692	580539.9406	1377210.592	261544.0077	331673.8517	363432.5642	379793.0783	329486.2187	370346.2568	427666.627	382034.7113	489432.0994	299347.791	201752.8893	221015.8161	323575.732	218690.6817	306761.2264	525822.2909	428599.6058	329962.7481	215043.8372	516095.5947	359296.5385	967445.7768	250304.7636	305174.6749	196268.9209	268947.2813	308985.4401	299104.9129	232056.3408	355087.2026	579067.4209	400728.1097	1174487.802	536408.994	558894.1362	385493.6406	626725.4777	409026.7167	447885.4185	367491.6587	461173.5144	794595.9128	374190.2851	211210.3853	242258.1646	280836.29	159593.1618	371978.7667	901510.3401	448065.1229	249768.8117	624344.3725	310722.5559	522146.5698	783649.4912	405392.155	35693.43653	87121.50936	296643.2003	43061.97108	88325.81416	292399.0517	131755.0489	127756.4156	267675.0339	8665.97541	391302.0391	427964.8898	428170.6253	8109.531471	407179.122	387638.4677	474591.3155	6666.430159	418286.5811	368746.0841	460182.6353	6484.552315	378644.6212	376597.0635	424900.5426	6357.381778	401614.6214	417294.3749	490520.5723	5776.837756	392573.7811	377976.5552
C26 H55 N O15_2.415	1141908.992	1063412.105	870544.52	747483.5297	594133.4025	691397.3634	573880.3189	749838.9273	958741.4202	594576.6112	572539.3717	1397408	1055057.451	711639.704	1195506.262	959273.1215	1211595.853	866520.14	895117.5975	1009649.241	541307.7532	357903.4556	413836.6526	431124.2635	351558.1174	475360.0551	398313.9005	493044.5014	498111.0051	388244.5023	573428.6321	884518.2392	644560.082	950375.1063	929429.9842	763845.6903	605718.637	706923.7713	764671.7751	621765.3359	673697.7906	1181875.53	1685473.502	1030368.988	884419.8932	738135.6073	1039763.726	814485.9049	621506.4541	782543.438	1079802.749	755752.8678	1077821.887	774266.6287	760969.7065	815191.1394	592614.4177	1021365.297	966834.9002	1025009.055	1163697.673	1172022.828	1295749.468	1049762.604	1183742.172	463579.0764	954061.5425	567104.8902	760589.8645	665339.7533	871789.1459	705101.6115	668726.3088	1022712.445	706868.3161	619670.6247	891080.0616	1326157.352	1750594.402	816666.9635	942752.7138	983704.7825	1232160.225	846558.4707	588694.2792	1011614.683	707208.8792	664635.1873	839955.1416	609079.7684	613962.1207	584525.4208	925333.3432	713451.8926	940375.4125	908139.1692	1163439.986	1073971.511	1090127.991	735974.4328	1122478.959	727216.7222	480382.7387	355176.0845	443987.3151	638420.9195	356790.3168	693739.2815	586394.0882	592259.5874	338511.6434	507658.264	10234.52312	792564.7689	859121.5548	893099.7105	6930.149699	702424.4741	793147.7855	929459.7261	6948.296242	801832.3103	803027.8882	867489.0832	6500.602961	773385.973	752062.2007	833429.9134	7189.321024	801381.2027	851102.8603	970354.3955	6535.911629	732535.0494	768467.0317
C26 H57 N7 O14_2.197	68437212.16	59256039.87	43815801.71	40182879.58	30096427.57	40368244.66	29348407.8	49152869.79	60814014.89	31287738.33	36695458.34	62090372.68	39129133.36	28396266.69	58497897.94	36631063.74	54737051.97	35817902.8	35270685.49	51385775.82	10145321.88	6373723.232	7120087.382	6326557.478	5041895.996	9400217.742	6224346.976	8984207.213	7797220.954	9384412.856	30189806.66	52876135.28	33627519.59	56515298.87	52340359.26	41726612.1	30518352.98	37355463.25	50532581.73	26829913.2	36794750.92	34451249.64	51516967.86	41457622.3	38920011.5	32805171.42	60056606.5	44017326.6	36007036.77	38062007.44	62560810.78	41513917.37	64925876.2	39200025.34	41733413.75	56687374.44	28798297.78	37948204.51	37184519.66	13791118.75	52940705.9	50107946.36	65541911.72	40092504.32	53218739.17	25686587.48	56310663.38	31785600.86	43297553.38	36125019.74	46296381.22	35063537.48	27531022.57	62814459.43	40976216.06	35597209.89	34886525.22	50906797.91	69050667.56	29023918.07	36278558.19	38459308.86	48233856.56	33671990.96	31334664.85	50918178.59	34212053	35779277.3	39573662.97	30853162.02	38069833.19	34176720.34	55912197.79	18700763.28	62202200.08	31336050.77	43118019.09	48631392.62	41527439.51	33918670.16	53138687.24	20299968.43	6905541.751	6003162.644	5021760.178	10454417.45	6324645.137	16580730.28	12735342.31	10743026.28	4940098.956	7476863.715	20979.30487	38752499.8	37081657.95	36423018.31	17609.13348	37949100.38	36599018.42	40558520.11	16030.00002	42305139.72	35699119.94	40659569.19	16874.00253	32598579.04	36668046.65	39808331.03	19174.06615	35428333.07	40843617.1	42235432.24	24221.1737	35961752.52	35491401.82
C27 H49 N5 O10_2.218	67351118.47	58717641.99	34897823.64	39456031.28	29500615.69	37742251.57	29335946.08	49220370.55	58667560	37261559.55	33328722.84	47684288.48	27757482.48	20969621.38	45936409.25	26057121.41	39752521.48	25441769	27877502.58	38174531.68	4708637.022	3293880.488	3272251.201	2884608.393	2657414.92	3839283.709	2894251.477	3761192.724	3674779.592	3833741.649	29928332.24	53610788.04	34804747.26	59484105.65	56938047.31	35973232.97	30752540.5	37300083.09	50305176.2	31295596.05	35749026	26489976.46	38598590.22	32661332.43	29907503.64	25486451.27	56038764.64	41855731.98	32719403.1	35647327.61	59894804.75	39357541.18	65372037.36	38279961.55	37317954.79	54251540.87	27521326.97	29543624.8	28052168.67	30549016.12	44620772.69	36375759.46	53169870.81	27454109.95	40591035.26	26293305.7	56100349.64	31767838.76	48721660.86	36350343.84	45099301.89	34477421.35	26919614.67	60121327.35	36262010.83	34498489.58	25493747.89	41493355.53	53344407.21	20587317.27	27805767.26	29744702.15	37922064.17	25566820.49	30542242.27	50344014.8	35306607.03	34608771.37	38433590.79	27687014.46	37765343.71	33752024.13	55283527.3	41583366.27	60890653.36	24599567.52	35099481.84	39991150.6	29275895.45	25823118.42	39029560.19	22649477.22	3112611.825	2574270.331	2636917.668	4102899.651	3055761.336	6993365.904	5896647.527	3994959.309	2700066.662	3625098.914	18832.82486	33802060.28	31005486.49	33656955.51	40335.42622	31804688.11	33295759.76	34546808.55	14624.4086	30790417.24	32612713.94	36901040.85	14687.86304	30355403.35	30722340.11	31425246.34	18691.69815	33342985.16	33374920.66	37769636.73	22446.04511	30543624.76	30830710.99
C29 H53 N5 O11_2.206	74788543.35	65789578.83	50253180.92	43505663.27	32477675.53	42627486.52	32297680.19	54910565.93	64475532.11	35577809.35	38514669.14	61816513.63	40648457.75	26052856.99	57251154.26	34264455.22	51793681.91	32780711	33808574.01	45081695.42	7875482.357	5133696.926	4590345.716	5084485.521	3427603.525	6075823.416	3973583.224	6057107.909	6043501.796	5810046.285	33746228.65	60107256.13	39063939.39	63294807.93	61347842.06	44909389.26	32625036.03	41591889.53	55448276.67	41120659.91	39595734.09	36193918.28	53941771.55	40018218.53	37411681.68	31968388.43	63884057.9	48529745	36962113.79	40002155.07	68433548.68	42747587.48	70315515.25	40383651.48	41956307.36	25098577.93	29526739.68	36668352.54	35960712.09	34882482.93	50747954.4	47484315.15	62565325.27	38995885.53	46310180.45	29941119.78	62506584.19	34947161.6	51659340.44	39483826.22	49863543.6	37495093.08	29664463.32	66582810	40732240.97	38035707.9	27628987	55113231.45	70821710.1	29447487.92	37186176.87	36118987.07	46911691.72	31482402.58	35158945.91	51638525.57	35367902.64	37705753.35	42938542.34	31746235.26	39116733.57	36772788.25	58563882.78	46756503.51	66593279.58	32547576.14	44984503.78	49419234.83	40983226.89	32094303.14	47493901.21	27711411.25	5043267.47	4444686.069	4088663.66	7517623.35	4513087.51	10800742.12	8915147.949	7301018.875	3801215.288	5729086.363	19924.12406	40716459.2	38981612.89	37188971.12	28833.2239	38342234.32	38302609.13	43274007.68	13486.94181	41356126.21	37067667.28	42316643.93	18427.30943	35895586.89	37044498.91	39581942.23	18452.80909	39437693.95	42278012.82	45113085.09	23691.63262	34908112.39	37064582.93
C29 H64 N9 O12 P_2.19	3425429.085	1911177.532	1654779.921	2588677.614	1295207.318	1558665.627	1361297.565	2062077.376	1871927.387	1636456.087	1736665.948	3603741.292	1934469.308	1289839.502	4028018.956	2161373.364	2538306.924	2024472.528	1533854.314	2589257.822	852655.0125	507995.7233	336448.9014	410528.9062	382869.3903	669450.3138	260045.7941	579591.8798	262398.0577	375894.064	882182.2132	3496069.537	1926620.385	2539677.757	2136734.971	1862770.116	933903.7519	1812752.612	2867475.39	1008744.305	1186136.902	2125124.206	2330171.663	2393021.462	1766343.313	1644455.918	3122294.434	2164739.659	1508326.55	2397322.217	2848092.511	2322584.222	2832852.262	1633867.792	1711439.707	2439785.333	1332245.516	2350164.682	1906580.825	2055869.488	2671530.907	2161410.911	1980299.159	1609908.269	2102571.467	1789292.413	3897862.486	2020737.26	2335099.296	1926438.787	1518969.879	1275889.871	1379322.506	2732195.831	1424612.248	1790710.076	2189322.998	3196436.117	3900956.354	1844929.242	2196283.545	1723491.025	1305027.094	3206847.916	1959420.052	2145889.032	1456211.798	1614115.15	1699029.417	1229813.822	1318259.776	1704529.006	2300004.072	2119658.023	2246288.287	1789645.009	2459695.739	2643635.88	2378749.728	2218401.804	2638255.078	1693076.805	551594.0531	488622.2128	471612.122	624109.9816	379736.7256	963746.6963	800037.0385	575177.5225	297263.2552	423427.2249	16979.59521	2064008.762	1695593.059	1603513.785	13995.10639	1261996.562	1736086.445	2473390.299	9008.064951	1536297.307	1863848.021	1939548.947	8451.305701	1438665.041	1575196.756	1843551.257	8979.13044	1590528.719	1676970.231	2269317.445	9086.273754	1713427.963	1549922.656
C29 H71 N10 O14 P_2.402	1274198.943	1354340.612	1186491.428	1414083.592	696113.9617	1135128.993	1134519.587	1459018.491	1793121.926	924094.2044	937079.144	2626932.642	1492667.218	1390519.35	1865080.801	1835030.015	1645222.05	2029469.613	2056317.221	2329385.471	1627243.38	774658.7177	1035998.316	875604.1218	982065.589	642669.3113	934056.6764	1055666.646	982530.6254	792298.364	908062.7408	1383321.538	1212002.672	2012702.237	1711014.088	1031602.321	951207.563	1219081.784	1413876.467	1201957.928	909025.3632	1864391.355	2294684.542	1925929.317	1325363.677	1870639.02	1655087.529	1475839.98	1111239.518	1340259.132	2079801.664	1527371.661	2223368.623	1365613.925	1380133.17	1436401.329	762130.1854	2217431.075	1979572.725	2083138.247	2968701.185	2458994.741	2515754.106	2105907.063	2394518.87	970071.8624	1503277.415	832021.5597	1349830.63	1354722.809	1549640.254	1209415.534	1099664.153	1999029.981	877864.5558	820252.2524	1869741.742	2587564.34	3072588.57	1547884.072	1211997.933	1986166.554	1785264.798	1410162.952	1122557.585	2355254.772	1406529.144	1309212.609	936622.7758	1194491.448	1211641.864	759832.383	1197468.408	1397515.442	1076352.431	1887299.292	2631351.713	2484307.598	1887525.07	1928867.519	2689890.547	1514567.017	1122744.009	1107540.098	603041.5797	1725569.258	887126.1801	1781013.588	1170575.9	1144633.243	869921.3246	1052294.042	14123.69442	1669601.238	1670138.221	1735499.911	12475.4458	1062557.916	1699515.789	1965538.283	17198.93932	1787835.704	1388218.145	1420426.983	10619.12697	1638820.121	1648946.819	1783021.275	11434.17665	1216009.028	1799966.707	1992526.611	10170.24784	1451237.337	1447672.07
C3 H Cl N2 O11 S_13.008	2746267.367	2516722.479	2802425.901	2163043.833	1531538.718	3031214.197	3014288.479	3296708.691	7011951.837	661726.1381	7421480.271	3724877.445	2271994.252	859562.2581	1743970.716	1752359.383	2557537.014	1580839.943	3143065.494	2542659.827	1956867.768	2919186.062	2206320.323	1983804.682	2532720.107	1953750.817	1946634.046	1632284.611	2118020.718	3166317.635	1359112.668	3539031.941	1288491.167	3714888.995	2067012.382	2199787.785	1764172.966	6023939.177	6309255.908	862188.2988	9245467.776	3430895.858	5884113.288	2036983.743	3333259.596	184809.9716	2994965.075	2012063.306	869923.1456	2560344.496	2462200.796	2885307.305	1260799.465	2362802.502	2379402.944	429596.153	1159153.758	1817610.534	1800898.287	22037.06585	1515501.609	2720357.151	1528222.344	2716526.807	522706.9825	472455.7841	4506200.767	2405220.03	142168.9188	2944327.966	3098992.038	68743.26101	1636404.311	2772357.715	884366.3501	7206711.646	2596595.441	2870066.796	175605.9377	435643.2377	498256.4611	1571245.681	705969.3295	865447.2434	2184737.147	2168913.904	1487798.211	2244221.244	1505584.282	398544.2568	312773.6029	1693885.667	3624393.467	5355986.476	9486435.994	1321088.72	1908006.01	2100115.519	2689962.062	1885050.047	1704857.053	2859744.839	1709964.539	1977616.896	1578616.91	19562.47453	1554662.843	1599021.524	2726773.329	1742934.92	3209695.517	80574.10613	26013.43216	2147771.881	1919689.94	2142722.535	22269.10023	1644560.12	2194683.934	3391425.12	19371.26735	1404823.569	2270845.316	2440489.838	17357.9084	84793.09583	2150556.064	2640410.56	18591.02769	2354917.27	3929492.442	464755.4311	25759.57864	1171816.772	1971861.791
C3 H N4 O14 P S_13.078	8689067.434	7791517.697	7957652.242	6149497.39	3526840.21	9005002.832	5504510.416	4919541.787	12830673.68	3851732.754	5402145.508	12748811.28	5693398.696	2490787.661	5416545.935	4159124.435	7221651.624	4043475.752	6501212.132	5698463.639	5970445.96	9332747.325	6663516.466	6164890.742	7684938.051	5101464.64	4944561.936	4642054.587	4568517.931	5388034.261	3200637.33	7762064.189	3316406.397	9945077.498	5535308.765	4964876.551	3621339.643	8040558.683	7920160.223	6331765.487	2592342.252	10449589.57	18345417.7	3384095.095	8840359.177	7042569.598	10441211.26	5871895.859	2170278.663	7342217.314	9628462.482	6857979.864	3166518.422	6937141.119	6226024.061	6151937.529	2132305.161	4757428.524	5253076.502	92830.73794	5199034.839	7437957.911	3701394.003	5109928.176	4812581.08	4267283.326	14058620.48	7394402.779	7863920.901	8012975.217	8057972.11	6729171.633	4074849.779	7556490.947	4545590.553	6796910.37	56449.92419	8642589.684	13077931.6	5826489.345	2823529.476	3774205.649	9945459.21	3548661.951	6851626.804	6067929.893	5695716.045	6314844.316	6260473.106	4061949.787	5180342.46	3301463.577	6179518.735	3828312.78	8732891.804	3224017.55	5836338.842	5563514.64	6266089.139	4476878.021	6773828.323	4449810.708	4904275.605	6043620.65	5311303.57	6990480.532	4598830.925	5286126.726	7798067.525	4095456.472	4102886.284	10208175.93	70636.27782	7074941.481	6233145.709	6168995.279	54641.57318	4337372.147	7039434.036	8939720.924	40150.90882	6473132.418	6187311.518	7124626.526	35368.28402	4474781.465	5655612.556	7475575.144	34734.2667	7063753.443	6414021.891	3658959.998	24117.25599	8622567.242	6550334.108
C3 H2 O3 S5_13.096	9180564.179	10322958.76	10608763.59	7524892.89	6958884.71	8521529.465	11817119.02	11638428.58	11462990.63	8594423.558	9543332.678	8064009.454	8663943.989	5340961.576	6838936.259	6740198.79	8104199.112	6192495.948	10450655.68	11391675.16	8414875.412	8097333.597	7256356.214	7398427.224	8039235.952	7125318.81	8387981.095	7913250.583	8926573.88	12359578.62	6702066.358	7791356.366	5610690.262	8928192.981	7945164.49	13786041.19	6592082.426	8923645.058	10024090.92	9815894.825	10323991.61	10381966.73	15895987.55	7309181.36	9639077.638	15444005.13	10136496.21	9204714.04	6675443.153	7434730.364	8592288.042	6690314.632	5698838.714	7559807.404	6098339.574	6870813.745	5154594.059	6767707.726	7019428.813	26987.46592	6869028.1	9461107.791	5643227.564	10749074.46	8876157.887	6388017.389	10978835.68	8673613.363	6236969.372	8655883.927	6239023.382	7363920.342	6533249.086	9200418.162	10983603.89	9932753.467	21007.21852	11150624.28	14455991.01	7555802.322	7787605.739	5584367.794	11339067.43	9462346.629	8497964.409	9317360.455	7152018.983	7610281.967	6488080.102	6952562.31	11916599.28	6742741.453	11696757.93	12517368.16	11465517.31	7065940.176	7775968.256	6753097.488	9017010.166	6087883.37	8066847.179	10395351.92	7173095.742	7578900.447	6819583.496	7738855.944	6748196.283	6876540.94	7265486.994	5757195.537	4899966.517	9936995.631	24020.25492	8567907.145	8429298.453	9192294.777	26195.95272	6238394.585	7653855.552	7912773.653	23331.91366	10361270.92	9174549.102	8764222.762	22604.17987	5907521.571	7378099.152	9354668.534	27069.28141	9815989.687	9532376.24	4442895.095	30102.07856	8737558.062	9122030.831
C3 H3 Cl N2 O4 P2 S2_13.091	33572906.49	35200364.45	39484237.21	28985296.47	13097914.54	32268738.08	31580371.37	33952157.43	53348448.83	27750147.96	32096466.39	45100731.17	28203101.22	17035575.08	25376552.86	20283388.96	24952122.15	20572393.69	39287706.54	39157759	29470546.87	33506667.96	29091827.25	27356845.1	31804265.06	21413240.11	27305801.82	19581078.49	28086396.71	35173776.99	12079933.16	33758759.48	18136108	42188821.12	15948653.37	29119151.73	22604565.02	41663417.04	38625321.87	37091892.69	32489768.27	39747880.3	73206650.13	28227163.29	40367026.71	37104951.32	38527207.9	29816933.92	11957455.36	29444457.34	33944671.23	27032499.16	16822582.36	31275364.49	28913260.87	24197720.19	14370067.68	22723430.61	23313876.74	689345.5706	24514232.93	32691418.65	18938553.64	31000952.18	29421221.51	19526244.98	53004556.73	32739759.18	36321177.8	36686854.24	39723351.62	31238131.31	21383834.58	26465513.2	33190079.84	37161407.36	33232635.17	36841832.78	57790651.88	26070421.29	31830839.07	18476761.03	39388455.97	29373296.07	29019749.36	26832062.37	25908384.28	28488612.7	27877924.75	23643397.53	36002735.91	20458559.65	31790349.66	31836326.42	44040836.37	18477980.69	23346966.77	26487232.2	34930336.18	16206075.68	30955641.55	30387412.14	21211024.89	27680834.87	23200556.22	29131792.52	28312109.31	14143729.98	25759723.1	21271607.06	23312592.66	49685438.39	21663.05143	30849897.04	28040928.44	24416239.26	23796.98701	21034396.5	29104778.4	39316083.12	19362.45615	27083208.9	28139982.53	31655768.9	18608.14704	20050328.76	22614625.8	27002711.28	21030.37831	35354804.44	37550111.53	10836220.13	19184.37664	31583866.23	31438382.87
C3 H3 Cl2 N2 O8 P3 S_13.011	4446195.121	4566545.266	4687434.228	3602006.077	2617554.817	4369167.907	3862963.362	4172015.301	6429385.515	3268616.261	3882812.54	44217.73315	3525042.651	1787571.367	3180722.388	2964554.822	4209307.268	2822732.683	4408196.421	4581832.775	3497263.663	116878.1426	3878891.129	3827034.883	4171512.248	3005380.699	3461031.76	3214347.12	3407371.601	4376376.11	2499848.368	4414103.087	2534361.096	5543927.31	3304702.48	3403532.591	2192354.005	4592473.91	1054075.437	4439145.03	4070989.408	5210442.881	8319899.614	3559039.358	4949560.778	1074849.728	4946833.363	3832425.496	1542059.602	3889820.711	4419457.018	2414624.575	2060035.198	3679256.059	3974768.085	2839049.921	2699125.442	3163121.582	3440417.702	27916.11506	3232702.051	3918229.453	1638192.568	3988611.282	3595137.127	2671127.56	6675541.493	50037.77944	4607459.394	4610233.966	104190.7628	3674492.238	3342623.624	4156197.917	4225017.186	3289805.736	4215741.604	4790903.539	8227863.948	26491.01141	155371.4719	2644028.479	23908.89926	461697.6467	4155559.438	3635420.176	3418882.344	3957524.976	2450305.579	2901299.105	4438562.828	2547558.157	4989015.183	4525685.58	5080288.562	2309834.538	3949475.277	3732083.532	4668792.859	2992609.607	3772414.7	4074228.142	2846986.526	3641526.243	3150470.247	3827252.097	3302831.699	2953282.315	3836879.698	2989761.046	3146133.152	225859.1133	26782.25138	3770821.295	3793539.93	3661936.539	26970.25602	2696744.247	4132070.179	4113903.599	24674.14673	3548794.616	3768468.099	3782043.98	22018.02461	2665367.112	3377492.663	4411998.975	23678.66622	4325225.475	4939230.765	136361.2563	24343.972	4084953.475	4700109.184
C3 H3 N2 O14 P3 S_8.887	709970.6771	253748.1669	828101.4278	343416.3229	306487.7952	1128065.242	686925.7656	783652.9782	1936640.683	523211.3102	677483.9083	930473.8087	610010.246	135189.6254	253097.3204	216393.4571	639640.2573	256983.0219	889572.1164	658206.1248	592200.9095	543696.0779	451811.3237	419326.1047	544033.9295	43749.8425	640576.537	594145.2205	323583.8284	1279547.959	239625.7527	389559.3522	129424.5845	1092009.531	731900.9255	241743.2891	930517.7817	919674.3591	956278.7132	872728.5934	621516.5475	472211.2278	2797614.886	391187.868	1365408.294	1313556.233	338281.4437	536682.0104	95048.14505	326055.0639	81182.9072	781391.0575	313385.2092	1075214.075	1099035.525	410615.0002	298630.1772	209780.893	264850.7023	375066.068	18402.77928	29492.16742	545004.8594	922466.3545	297894.7276	135860.163	988571.6809	396636.1152	17386.10601	21148.80219	1373131.086	23711.58354	24782.88132	1271153.778	852077.9956	32393.85794	796419.8255	27229.68888	1400552.2	17615.47702	17632.65152	584164.097	2134443.738	545720.8609	508600.2325	629566.2857	355342.1639	413375.2197	978493.2375	378158.997	796363.599	391875.1141	1132620.293	284009.2509	1010554.92	276877.4308	54639.46367	364718.2971	741747.8541	418239.4349	1196600.478	1199600.032	327075.8009	249149.2693	276220.8854	524474.7724	248576.5821	140153.4697	18214.49293	502364.8527	378823.568	1767097.793	11284.11205	173129.0625	173882.1716	222458.5352	11083.06545	141377.2383	192918.4919	257694.4393	12907.46674	149604.0332	187293.4162	241424.7758	14785.53004	78565.83192	143330.897	328011.8425	18598.13732	95669.70586	145102.71	109854.3233	27265.94353	263589.9326	207286.3952
C3 H3 N7 O2_8.213	6444747.705	5319548.3	4301473.554	4632850.936	4144867.409	3733877.128	4527252.638	4674555.569	5477199.132	4770300.536	4185495.595	5918459.532	4519498.957	4113368.454	4790902.987	5016710.026	4986452.257	4869483.575	5004493.817	5138895.072	6678703.903	6151375.85	5733156.353	5235517.734	5312304.968	4428738.515	6280140.065	5199887.406	6194302.648	6533150.937	4779610.297	4607398.77	4095072.606	5096996.813	4145073.573	2868908.557	3326062.352	4316025.06	4102418.212	3140014.956	4262185.429	4441582.843	5512172.975	3523680.956	3741928.495	2379913.943	4612473.112	6559519.498	5902713.976	4961089.021	6147069.586	5218209.61	5675206.601	4848058.677	5002098.509	4706671.002	4169514.312	5336192.62	5063585.641	5072492.706	4826854.987	5078737.022	5022770.845	5440097.037	4154358.247	4956792.662	5926426.687	5038520.192	5327720.709	5149088.419	5309444.246	5486922.811	4419009.088	5743002.617	5422242.512	4715381.925	3865335.196	5827917.86	5785281.522	6094405.157	5425395.909	4956837.559	5160399.715	5455003.116	4095270.706	5313736.289	5230215.628	5721169.139	5098668.213	4696276.574	5546720.223	4768994.756	5710568.595	4922727.601	5717252.771	6201990.553	5276198.41	5702150.54	4909269.099	5132191.78	5161804.681	4250398.231	3854262.58	4760336.219	4134883.817	4365503.882	4406979.032	2789278.671	3659578.41	3516763.326	3822311.076	2810661.651	28759.21259	4320919.2	5322719.025	5313510.167	24185.7667	5472461.59	5014105.063	5197011.236	23878.55945	5266745.852	5159874.205	5065049.572	23394.59648	4673298.663	4717762.341	4647969.363	22746.83495	5132881.172	5275947.263	5965225.478	21463.64263	4754212.746	4842924.405
C3 H4 Cl3 O2 P3 S_13.006	11429494.24	14483071.21	18047656.02	18486414.72	9075188.684	11924799.11	11327621.92	19577808.89	10994976.46	102446.3583	15810715.19	18605488.81	14003134.9	9727362.295	7333163.135	8436826.453	17197865.28	10895621.06	16806394.45	17359651	9429523.905	11523231.99	14174929.12	11585497.95	13045420.02	9962528.913	10223441.09	9757972.66	15515045.61	18995482.82	7723012.103	15437862.71	9814693.841	7636600.164	12566746.39	12746869.47	9622611.376	9218844.922	2823255.046	2021533.581	11645476.18	10422899.73	21710982.27	13119011.87	15745844.26	1098691.828	15676476.15	9495721.89	7989544.084	11850150.37	12885956.67	11265056.68	11463744.56	11421673	13603822.97	5857779.409	9070712.262	13660573.99	11436593.67	26476.74029	11343023.21	11423495.88	8573224.752	20306152.81	11728078.73	11243558.68	15877458.41	8522823.37	9767086.411	18538924.3	12818549.76	9837410.339	7868580.516	2355504.865	21578754.47	25883392.16	13047176.66	15709327.86	2389599.81	962389.7518	743649.8669	10518356.92	4157251.407	28908.87797	8972718.922	11134366.12	11878123.79	12850255.01	9935977.955	11847344.76	946244.5739	11466407.48	19372616.57	52307.54399	10328820.82	11867577.3	12535623.08	13279676.82	19990255.42	11288480.4	11330417.71	24012852.97	13337837.02	12588651.21	11750748.18	12145094.25	12785637.19	12060161.84	7789421.352	9154524.893	16125896.61	7980488.13	21407.39425	15443039.4	10594539	14230288.96	24078.80883	9874672.565	769778.9301	16556888.92	23220.10916	14125890.23	13907839.69	11673249.89	22411.54065	8732103.529	12426063.8	15060462.23	25485.5087	17432744.43	21032894.58	2177948.753	32447.27949	6584130.619	20608233.36
C3 H4 N2 O5 P2 S2_13.095	21500785.44	19657210.86	20710109.21	16591980.49	6737287.12	24211725.18	12716751.86	12725285.36	30043430.04	10801934.77	12508955.43	30965561.91	16344269.45	4088643.986	14128436.1	11441315.52	19054241.92	10759381.95	15415452.17	14229118.19	17039045.39	22972216.1	17930849.22	21267770.48	19097071.05	8888565.408	12230375.38	10972756.66	11081232.89	13298380.31	8408972.419	21667665.5	8912302.461	27449575.08	12947383.18	12095612.21	9651383.792	21346029.08	19931922.52	16538595.86	13970814.86	26674937.01	51686879.58	16538499.64	22607238.01	13160098.49	26714142.07	15346835.52	5695164.257	17323720.26	22343711.21	17031016.51	7804818.461	18641467.01	14818324.95	11882216.85	5263918.15	16274661.64	13978648.6	22543.67072	13137793.43	18727910.5	8750432.248	12373444	11673397.22	10098409.52	42509177.7	20310981.96	21913731.04	21242068.02	29827192.46	16661987.18	9835126.623	19046762.72	11192341.56	17203088.39	27599.73415	23175257.27	34610020.31	16863772.36	17978436.56	9263639.571	20766313.66	10777010.61	16949783.74	17975539.25	14612398.38	17257243.26	15837969.06	10163289.47	15564334.99	7934207.375	15681453.8	16319877.1	23114026.37	9392507.916	15928861.96	16468676.47	20558581.73	5745098.808	11216398.45	11657839.88	12126197.15	16376184.01	14036780.9	18984412.73	12465354.33	10051897.6	15869267.43	9638800.286	10269405.82	26287836.84	30825.8774	17616057.09	15697261.85	15825204.27	28134.73131	11729039.03	18859153.79	19832805.26	20432.68113	15635630.71	16466068.81	18941727.29	17335.17188	11073138.97	13856572.76	18606020.77	16551.18813	18853320.56	16332608.17	12798295.62	12381.22605	17533277.53	16651164.65
C3 H4 N8 O_7.863	6998855.117	11257046.32	6231685.629	6342824.43	3431989.118	4572012.346	3834268.818	4368879.821	6805948.697	4577634.589	3613716.325	8234495.643	9289983.199	4831780.861	6053826.798	4625100.072	7545843.702	3552086.44	4634516.664	7059148.513	6191538.176	3365298.792	1950740.091	2726449.915	3390915.02	2269083.281	3117734.002	2233504.361	2096794.024	3593742.684	4029324.768	9673768.21	5554190.957	8792987.394	5466336.695	3336460.599	4338560.662	5251359.733	6055265.026	4828463.624	5034976.363	4828618.399	7235126.746	4484498.02	5392928.947	4070609.185	6952042.673	7607551.265	4601252.663	5807658.995	7256361.958	6785974.05	5766868.859	6241122.442	7263711.321	7267173.671	2956014.158	5799732.186	5563936.791	6379387.356	6684109.475	8116775.104	7087881.194	4917439.757	6413703.531	4258950.514	7041856.99	4078435.846	6972251.322	4881489.69	5918134.514	6281345.184	4190659.399	7926595.051	4185381.946	4535833.56	4528109.841	6885749.899	9043842.031	5975440.789	4581821.464	4647235.168	5652638.983	3883330.353	4754932.312	6537808.732	7574326.72	5533384.803	7582013.614	6103197.925	4842376.87	5497283.785	4859153.335	2733564.13	7273178.851	8034531.577	2530097.378	10544075.78	8388632.627	6859773.836	10306627.2	5951971.951	1975030.992	3499805.058	2778841.863	7250130.181	2628973.292	4093148.163	6589122.619	2693580.535	5054612.251	3665196.336	10176.22932	5420659.734	5583160.225	4599426.394	9948.448878	5276054.649	5294227.175	6062268.698	10289.29867	5119488.149	4962114.086	5755673.31	8958.718863	4548249.551	4785802.083	6820328.422	8651.239619	5063969.073	4749534.918	6147052.992	8355.136458	4728547.893	5104019.922
C3 H6 Cl N2 O2 P S5_13.089	13130466.37	16027573.59	20482387.53	13402244.38	10571016.43	14272297.5	17494119.92	17816555.3	19082578.86	10128848.39	9744130.784	21216677.28	14998695.1	8814326.743	13293310.99	12148249.78	16487747.23	11502857.44	16586169.19	16809576.97	15029818.6	16761325.54	15220161.6	11888538.24	15860261.55	8562500.569	13318458.36	13725313.24	14729479.65	16623753.34	10772921.14	16196410.64	10370293.08	20884030.3	16313419.96	13897805.93	11008643.38	15640049.59	10549899.3	13492353.64	8342316.715	21393785.6	27871624.1	7480849.204	17156923.41	15251576.64	17519235.04	15008301.3	8088090.835	16330096.85	11300817.55	15231860.51	9333632.781	14547216.51	17996681.85	12056667.65	8300413.207	12860053.26	12867083.88	50666.63262	12497256.77	15299001.38	10867274.9	15499768.88	14889226.85	11418757.9	13381658.38	17918752.06	18128347.76	19581347.62	15872578.98	15705803.93	12259011.46	13564822	19028497.71	2419206.199	334090.8437	21052656.62	25848636.41	13049949.25	14745267.05	10556951.08	4966320.709	14504856.1	14234032.24	16201163.95	16667646.43	14782493.3	13654898.23	12319739.03	15684067.07	11830438.96	16382503.72	13517329.67	16665857.18	11822599.13	15892191.48	15204452.17	17445627.76	11653478.6	14505328.67	16207792.41	12378116.69	13324606.64	13264186.53	14897901.54	15018165.86	9429871.29	14559896.02	11571171.86	7954344.838	12826124.39	44704.56749	15237147.22	14718412.69	15223761.19	49021.66027	11363704.04	15120202.48	19630014.07	43629.8543	13754550.48	13652274.36	15122122.73	41734.31921	11528215.72	14241637.44	15720105.2	45435.39833	17375197.44	17907070.55	9726170.91	40381.70888	12261001.08	17395305.62
C3 H8 N7 O2 P_8.153	8968239.734	9027878.021	11148179.59	8503883.445	6320886.068	6817485.516	6399763.269	10051391.37	10183332.96	5512576.741	9101105.901	8207019.477	7867817.196	8536244.044	8863668.331	6463746.613	9234441.325	6006464.321	8104069.201	9817477.259	4731284.471	5267810.069	2417443.564	3499895.726	7471813.867	3924188.596	4750766.123	3918003.885	3734653.507	5593624.71	6652365.531	10896029.65	3887977.323	9986025.225	9505703.383	7431153.386	8538181.71	10811580.72	6828620.274	8079326.105	7110739.062	8088023.51	8604006.658	5630476.388	7929083.214	3683297.031	10139375.62	8848476.311	7108022.21	10879963.87	10398454.43	10235807.04	9418549.912	9004809.74	11614078.56	8336807.343	9467807.642	5813378.773	6372044.458	8229410.822	8172954.985	8572849.139	9680950.238	7009989.678	7602347	3675122.92	10715968.07	4055497.344	9017040.705	9803259.371	7947382.676	12480978.2	10648630.56	6354294.846	7998942.795	8333727.323	4564428.772	10072262.19	4572762.46	7552141.648	7612573.618	9905921.127	8560326.888	7263946.865	9277633.12	3596442.307	7056038.287	10837059.52	11461682.35	9117312.906	10058610.19	6040156.709	5959033.972	9454972.075	13537485.02	6911904.695	9053523.209	11242079.76	11410661.78	7905274.844	9106468.711	7091866.107	2382657.526	4458235.887	4431357.104	4404655.491	3693543.799	4422335.655	4817177.398	4654772.647	2845042.478	3714207.618	23449.40259	7747634.9	7311538.195	6248618.104	21249.93726	8700006.002	8049272.641	8671262.621	19975.67829	6984993.563	8482068.599	9225665.833	20079.57115	7310944.894	4201816.968	7819901.838	20515.93478	8722546.533	4468064.029	12475760.82	19565.35852	7680946.29	6001177.775
C30 H56 O15_2.206	536529.3455	847770.9264	529260.7849	1086958.002	500119.3586	1066381.82	442735.5511	307733.8072	373263.1799	955828.1343	333507.3242	1125892.906	1267759.65	623339.1396	883295.3418	627738.5159	595085.5335	342192.2494	510363.4187	459352.9244	130263.8089	36014.05837	34102.35456	85383.82977	28500.23975	59928.41269	27754.09848	93856.37875	145374.6861	41785.22609	1032631.691	1199151.475	762858.5516	930577.6549	558996.5469	800185.9325	190248.6449	749136.7796	1762319.899	209140.7234	288008.5694	556271.0716	1035000.603	318250.0437	1719445.455	360763.5062	1639627.332	752359.6931	729272.2251	1070167.381	858317.6333	818471.5862	821943.2486	584290.4982	603984.5437	304366.6606	1102356.49	220745.9075	486961.4815	837393.9393	784212.9565	1050954.516	1241635.455	562450.2935	983157.3002	513896.338	1111090.839	469557.6487	1035742.695	665452.0413	461923.3605	83262.29564	314833.9547	992352.6928	355883.1155	283235.543	810272.6628	1399323.203	1173670.891	468406.6622	385678.0876	868393.1318	197621.7613	616003.4486	553551.2347	666865.3669	535479.7355	695058.9034	501975.4818	267966.613	759763.3433	366621.4243	767624.089	445064.0265	1013815.648	343322.0199	439856.5938	750006.1651	622784.3972	625625.6203	1185679.619	600097.1608	99644.52024	63930.90767	53720.94909	46212.39448	39883.55102	139691.1281	71280.58231	75680.84115	40146.02003	107184.483	15644.33399	714266.2871	587519.8011	403523.1211	12239.21156	434626.8437	549789.5689	789701.215	8605.549632	875574.0116	547970.4527	571932.6393	7511.70741	371704.8837	342459.91	1146708.6	6552.0362	401931.2803	181351.9064	790770.7171	4069.475965	717721.3132	508539.2889
C30 H67 N9 O9 P2_2.353	18940151.37	31716190.99	20203417.66	16563113.72	14013016.29	6119581.686	8786811.708	12851059.4	14304080.11	16243265.26	12267335.14	52213180.37	13067898.48	37149728.78	41153093.5	15869492.01	39867529.25	4258963.587	21218652.76	34144949.97	111067960.4	22910262.49	74970110.94	65428336.17	82670507.57	60337631.69	57836882.03	68905328.65	73334723.97	92057931.59	18993191.03	21367664.97	12615718.8	19648175.17	9154526.995	4147012.977	6619648.224	14681468.34	4265366.835	15262347.91	12412391.29	41442514.74	80014057.97	31384885.85	19812717.66	7250384.733	28766423.18	7783019.954	23243666.75	18441224.9	16929656.65	17936480.06	15707646.19	14061085.56	5007407.214	9276557.978	10378786.56	34268078.71	28780725.42	23444195.35	4502862.012	13796402.74	7026450.545	11195790.98	4310751.117	15321876.44	12071214.05	15254228.53	13879746.94	10292630.25	14800133.83	9037007.252	10749707	4854375.153	13133883.06	9013010.521	41177948.6	12499898.67	14048405.78	20154866.5	3658201.246	22520429.08	5859889.875	26341236.73	17047034	23423455.53	11089107.4	15787406.5	12576666.73	11771514.84	11028573.13	12292262.59	15810907.49	12810224.29	5556594.227	36830517.8	41048961.22	32219135.12	25408885.51	7167968.107	2494806.302	26285950.15	83257726.37	77092395.74	63025901.71	111014766.5	8411632.622	77945281.85	11408812.33	59343043.46	86082766.27	62716850.36	34777.62818	25506264.3	48660618.88	14328569.07	26798.4906	8568355.174	29764014.88	33001169.51	13880.02385	28998990.76	34013904.36	37878159.05	14604.31402	10365589.21	25532380.92	31289161.4	27910.39767	26575911.37	38874162.27	32428180.89	25894.63952	5571663.079	33262967.72
C30 H68 N5 O9 P3_2.188	55163836.52	50075038.14	17677679.95	31952975.73	25947397.6	30780985.43	25099817.66	39871085.28	48995753.33	29079618.97	27409109.53	54935926.29	35983739.95	24548168.22	53560075.87	32457563.09	50425207.08	32228234.36	31875475.61	44003151.36	13136147.45	7463484.218	7502485.53	8026397.665	6358425.922	11082448.23	7332951.369	10920010.37	9609487.61	9525101.276	22341703.52	41707057.05	14190676.34	46597066.58	44637552.46	31935733.63	23823657.22	28709850.77	38597202.35	26062424.93	29567565.99	33262040.06	48350174.17	37091299.63	35418347.69	28485378.48	43070590.84	35720047.26	31397965.31	31618702.04	50532042.34	33282867.5	52449783.39	31256616.78	30957210.69	40912897.21	21264073.73	33604588.07	36171769	34624827.84	45484388.76	44278565.31	55304637.75	32941314.96	45680990.07	21130996.49	46282348.33	28343834.06	38534992.12	29711793.73	38220504.75	28033827.49	22600219.8	48985120.62	30576854.84	28536978.79	14369230.04	46705783.64	61244373.62	26429510.6	32758314.68	33889616.81	43254385.12	28728720.2	25271299.89	42389197.13	27953336.89	31251870.97	32735351.51	23504838.5	28858827.08	26222549.92	42115274.11	33263070.49	47561586.23	29559341.73	43816054.36	21822494.24	37017983.58	32666261.3	45222285.77	26748133.42	7712676.074	7292653.087	6379160.437	13170008.32	6887302.398	18483651.07	14560405.1	11909341.33	5360485.41	7060493.916	37575.57257	32503779.74	30688031.98	33133682.86	32596.9374	29922240.86	31531369.06	35575555.98	25481.01505	29774430.01	30845035.64	34490726.54	27017.51222	27418088.03	30652798.4	34099486.66	33518.28474	30863475.79	33231825.44	36029665.28	42516.48434	29264690.51	29359128.32
C30 H7 N10 O10 P3_2.315	3177089.391	5009164.263	2680972.687	608707.4213	6696211.025	489310.8379	1649682.703	11973625.49	3999377.565	3175640.016	3317115.533	25244980.45	3839844.958	15845867.76	8545945.849	19094522.98	20891935.24	17758796.15	1403546.515	8320639.618	57798406.04	36031849.73	41610756.11	39741560.86	33704716.05	35036813.52	30984766.21	2649022.021	3103831.689	59513632.15	7410572.204	10510863.48	1884260.207	1416569.538	1025761.956	1386544.195	2527067.082	1359993.895	2918729.408	4336293.187	2852177.425	1678411.913	10318839.41	1130264.726	5279778.146	8407166.948	2491700.243	2223924.715	3324439.383	3704950.667	4029202.425	8497116.072	9380955.809	7177627.112	3343631.821	1015620.329	55362.12796	9152863.97	15789280.41	2814822.381	538139.8035	3772701.706	3799716.826	8756634.352	5437071.236	7540206.837	5414590.202	7234566.224	7475489.612	1434476.343	5991116.97	4782141.925	470758.8484	1488952.936	1959082.448	6601121.405	14454997.93	6768018.343	25010027.45	21377100.47	16029534.26	2627839.359	107243.1407	14512470.33	3651323.849	345425.8846	6590975.381	10335961.81	7446000.818	1103058.819	6092829.238	12462646.46	3784028.173	8266109.676	11467611.66	22057675.63	21711529.3	5073329.809	10740709.03	13766388.86	15106285.15	15048502.15	11097622.95	40937935.06	32680701.34	9575037.625	7713382.793	42988117.35	33230352.19	16978043.75	52337373.11	37597868.68	18358.29357	9856237.685	17586783.66	12303867.98	13574.51651	19339102.39	15048192.27	3886732.241	10352.40803	16465468.65	5028129.109	23080441.27	9386.233137	14891608.54	696026.6388	16309151.98	17235.1982	18231639.59	3732978.297	19824341.61	14636.19583	4100469.245	18557911.82
C31 H64 N6 O12_2.193	131901345.4	114283901.9	76796964.87	77389824.49	48678723.2	65283449.35	60276029.36	94431262.84	119692036.8	59016085.35	57512139.25	122378172.5	72532588.57	54097851.31	111594993.6	64629558.56	103372820	72256213.13	68560549.91	101281703.7	19676787.22	10950974.8	9540457.054	11737933.42	8203919.728	14560322.44	10686229.29	14234772.66	11054410.43	12191284.03	54638693.78	99569547.33	64907930.23	103653953.2	95466181.06	74096753.73	48391255.99	66004287.57	90548853.43	50381786.8	62187192.34	69650724.11	107124894.2	77544753.07	47597386.21	52805180.7	110522032.1	87057849.24	63918161.89	68226157.28	113770570.5	65800591.24	115882009.1	67203871.95	68787721.99	104003659.2	45315437.39	73219323.1	68982950.4	68302581.45	32703648.81	85009904.04	123685121.6	70041016.99	81037810.88	47083349.19	106914254	61798916.31	88612555.29	73377002.91	87066226.58	64126659.93	51936632.56	110019791.1	71207957.63	62414524.82	60362826.39	96519730.02	137621716	51088305.72	68925615.06	62278743.08	81557906.37	60963466.73	60428122.64	91612627.57	67723852.69	66892829.03	65897954.34	54896605.97	70973750.65	59751936.54	106988669.5	77956678.15	104364617.9	62363239.25	29032154.89	35857963.7	25742578.63	63250244.42	99078786.68	51950876.54	11995681.78	10399553.15	9076159.515	17024206.97	10799190.34	27339177.34	21592186.48	15453273.83	7800286.882	11255530.9	44655.86758	71408991.58	67800797.97	69776001.77	16589.22687	66788620.95	69550447.65	75891235.97	43369.67418	76295037.96	72165035.88	64532214.73	33836.88431	60676212.13	64464782.47	68614515.83	43845.25528	73970565.52	79097054.45	81859542.92	50504.84927	59401529.61	65737652.17
C31 H69 N9 O3 P2_2.21	2474058.166	2714898.98	2936092.964	810165.9051	2041873.632	1888969.46	2418721.872	2270462.63	2534987.711	2279865.213	2191447.844	1360396.654	2354416.076	2132665.703	2242219.619	2059884.981	2502032.915	1976402.161	1805996.847	1067578.188	4090013.01	3788734.76	4902579.834	4689905.764	4947828.859	3962859.088	5757336.213	4072670.173	5695521.343	5573425.28	1937032.913	2597910.094	1694090.23	2524810.285	2300696.299	2063983.94	1927191.632	1928142.914	1732156.612	1770239.966	1615295.068	2174771.211	1656522.571	1552836.79	1041175.714	1380773.454	2206189.907	1731057.238	2155163.735	2517860.968	3152177.453	2772523.885	2702861.271	1929324.115	2477023.633	2307570.412	2629844.819	2287406.819	2818008.036	3656703.358	3076221.87	2688159.693	3023833.172	3257514.129	1996352.96	1666558.495	1989985.02	2226735.278	2532481.602	1833678.386	2505874.337	2305358.965	2127875.77	2573091.41	2789498.344	2526163.479	2813227.018	2425666.159	2529194.994	3041575.635	2390861.145	2713935.394	2903824.885	2264513.868	1969799.48	3040621.816	2106493.325	2936863.728	2317561.966	1772231.978	1900462.563	2081399.148	3280060.77	1639090.804	2300722.63	1666806.24	1799158.118	2267958.207	1758434.657	2046379.218	2066459.588	1917987.145	3027213.004	3924594.394	3653810.124	3799633.119	4298829.907	3205891.76	3930985.494	4142925.911	4196070.368	3723192.502	16666.73689	2348355.813	2503941.766	2634300.074	14422.54219	2438757.463	2189382.764	2686482.879	12204.42206	2683856.358	2390144.122	2705213.005	14638.07385	1946409.559	2230109.863	2945553.516	19443.92188	2122770.337	2650970.571	2789129.567	25111.6886	2130485.591	2414461.034
C31 H75 N10 O15 P_2.391	2179700.671	3447969.863	2659127.394	3558119.016	2660945.781	3118367.068	2953529.02	3271370.304	4432291.687	2515196.054	2361571.171	6657312.168	3363513.18	2638859.784	4941764.304	4655819.928	2754094.998	2857558.879	3151029.306	5472042.807	3152201.191	2140579.59	2515316.787	2084223.186	2110292.928	2696428.352	2310382.723	3436736.209	2828273.823	2978027.469	2743036.207	3637279.272	2905590.055	3237008.403	4094380.609	2891447.996	2419541.279	2877093.581	3234440.632	2540027.888	2414478.769	4113752.748	7102079.087	3993187.78	3217136.821	4221464.877	3072520.282	3160222.732	3266040.345	3437229.203	5034935.001	3343894.782	4547405.783	3634490.077	3468587.514	3737840.522	2793376.919	4756387.311	4885979.86	1878903.454	6572180.808	4849948.887	4064015.072	4626626.738	4638519.41	2254064.17	2512905.533	3032066.22	2496373.903	2867283.875	3865732.011	3534826.07	2217654.934	2988431.404	3182762.149	2518719.951	4177271.92	5980115.52	3736925.357	4420891.662	5006897.31	2738569.974	4437051.889	2991217.29	2720290.505	3348349.288	2980847.407	2995342.869	3634014.505	2795995.783	2507535.964	3027980.146	4549317.889	3203796.37	3342162.644	3971926.678	4074033.516	4453028.007	2707602.134	3343877.781	7139076.943	4119726.532	2114049.013	2300238.273	3327922.064	3341942.612	2510778.622	3811943.321	3283887.147	2673386.17	2289355.52	3142258.511	16630.10472	4026683.945	2933823.097	3227925.875	16653.55202	2603164.881	3023579.472	4240661.698	13121.39307	2992726.389	4261046.254	3323186.523	12679.57303	3779709.724	2229591.929	3996253.765	17022.71106	2600609.865	2869673.952	4610026.114	13266.13248	3383741.624	2908228.953
C32 H64 N2 O10 S_2.199	4621987.688	2710149.331	2750603.303	2874966.748	2044291.272	4059352.01	1876035.404	4958276.799	3543775.398	2654007.652	2046281.331	3139891.414	2746690.762	2036872.638	4458895.967	2362598.32	3651871.002	2093094.193	2200147.952	2079947.761	401221.8574	279952.901	359256.8669	269918.7428	185809.8269	261002.9974	280107.8794	347702.6328	224035.3706	252951.0446	2426212.806	3410606.913	2980200.349	3693784.635	1778035.044	2196936.617	2676512.778	3472235.059	4763922.904	2101626.94	3390533.792	2416946.136	4106225.599	2665465.62	1572174.777	2203574.437	3401477.596	2574448.237	2837642.368	3267188.601	4812000.9	2946095.737	4047464.251	2383854.175	2572669.341	4079891.339	2364227.636	3034779.036	2780927.571	2768596.493	3278930.988	2278553.553	3261083.867	1525214.693	2295249.229	2170517.195	2928712.203	3012698.629	3811849.049	2899480.604	2765120.404	2248802.05	2465972.668	4587148.547	1963623.208	3315922.601	2089414.835	5324402.79	5792300.14	2107913.485	2693959.29	2714295.63	1794955.526	1572039.644	2190244.419	3774459.907	2448007.144	2621919.936	2170339.687	1979944.668	2129184.272	1954807.322	3937588.95	2443276.222	2628957.468	2585727.879	4575474.217	3184328.597	2824048.089	2164224.118	3728441.951	1860163.625	280308.8814	276687.1148	261406.7366	360523.2926	227980.4682	640424.5235	465585.8088	628985.8072	114345.6624	234774.2751	14876.19402	2940280.356	2710734.253	2756325.344	14473.85582	2542498.75	2400477.127	3156494.632	17807.19583	3250036.753	3142591.419	2510909.896	12409.14466	2106993.865	2612787.053	2600309.508	17827.10012	2527722.413	3204537.516	3337767.831	22958.89875	2786503.961	2386100.745
C33 H79 N10 O16 P_2.381	7968973.258	10919778.93	9420716.761	8703428.794	5288222.981	5425408.21	6168575.691	6772279.376	4148325.938	3878043.04	3463261.75	14151425.18	8749252.962	8531864.036	14065718.5	10770784.64	8592509.543	9850678.088	5544724.727	12482617.77	5530613.764	4553314.315	5676718.282	4284985.738	2489195.037	7120427.628	6461965.156	8675552.984	4700129.165	5358325.005	4875567.565	8155914.673	6705912.827	5613038.665	7304201.512	4544495.646	3328855.262	6122200.256	5809381.303	5548943.516	3831592.8	10979027.75	18552424.44	9947830.874	6392691.951	8729943.776	7582844.698	7509951.987	6219770.54	4669157.941	12806975.57	6565557.289	9947654.813	4686788.196	6678806.406	8630493.471	4943820.526	11407173.26	12562932.11	14929972.26	16795983.3	11960709.84	18166262.8	12282109.93	13234132.98	4281760.849	8645871.56	5896476.763	8481593.437	6020286.046	7484658.286	6110560.348	5832653.861	11542884.14	6285907.112	4188497.947	9657211.949	10544926.45	20094108.98	11019832.24	13270241.33	5194022.058	13744835.58	10729062.17	3246215.607	8621694.401	7042526.476	6370656.408	8447904.352	5207287.186	5317087.704	5679719.226	7099431.448	6024533.67	6825349.468	10165950.16	16460077.67	14189298.59	14126195.24	7017410.887	14038344.39	6051410.409	5773448.068	4723253.37	6070878.866	10273129.89	5213063.723	12030704.61	9531392.835	9208587.992	3896827.224	1878961.987	19386.19148	8396311.893	8343062.112	8599544.651	19981.9432	9064811.707	5161957.395	5701368.5	19676.18768	9880315.463	10200139.88	8167972.974	16319.04369	8347321.254	7925043.317	8328687.315	17125.50546	8702358.405	5351078.772	10371383.05	16229.45648	7898258.631	7944194.171
C34 H64 N10 O9_2.19	200196668.2	178934061.6	126185031.4	127155305.5	80945037.43	109205043.6	91394735.82	144053825.3	183198122.4	101915658	98137317.95	224143745.5	130058667.3	97966794.65	199625739.8	119164557.1	180204905.9	123166597.4	116211298.9	171655213.4	51268715.31	25520410.47	26637014.71	27825382.39	21526248.67	35844887.47	26412655.01	37607885.38	28148739.23	31538971.7	89322638.08	157989082.8	102921573.3	163407208.3	158078440.5	117604369.2	81103010.31	107321091.6	142281541.2	95830538.16	102154197.6	116523582	188543760.5	137268221.5	97012373.44	105025939.9	173295342.4	135267453	106665398.7	111092857.9	181109411.2	43886149.63	180807514.4	109320807	108731730.4	159741024.3	30875376.55	121748134.2	118463792.9	118728710.8	165431067.7	144713390.4	202383478.8	119183135.6	147314476	77071322.53	170592326.3	96185243.89	135228426.4	114807897.1	134278163.8	99169913.49	83000178.96	175725743.2	116480135	102133097	104177594.7	172118816.7	229124797.5	92241075.09	120933276.2	110358615	152068976.2	108913226.8	95096830.28	151279294.2	105585717.7	104183045.1	107571711.4	88096959.26	109862018	98695062.6	167110180.8	125172681.7	176370537.3	116306342.5	157248726.4	165191930.7	129311454.6	115025026.1	165945633.3	92736368.05	29021019.94	27112713.28	23465013.81	40489974.77	25721473.97	64448080.41	49752366.96	41465298	23002349.42	30114499.59	20008.67898	123062108	112387411.3	117334698.1	53409.5101	110992463.9	115294332.4	125840992.4	82595.27911	127576980.2	111854325.5	122473042	62044.66459	103397362	112985463.8	121568526.7	64562.80975	115596196.2	129009681.5	134311427.1	69414.20686	102486944	110885869.5
C34 H75 N9 O3 P2_2.17	4002817.669	3699921.198	4484468.321	2283477.264	3424939.139	4170700.312	4409421.884	4311448.806	3687019.072	4323210.81	5280364.327	2333705.345	4631488.734	3504542.615	3712588.931	3715865.079	3835588.661	3418115.266	4527823.857	2264161.221	2593703.053	3843124.095	3562623.431	3323489.31	3981666.934	3293072.063	3872473.601	3425178.407	5344085.677	4563257.12	3553742.569	4513279.751	3262893.746	3921633.968	3975153.488	5144589.265	4051363.603	3879607.628	4155403.153	4051394.869	3818437.655	4851700.384	2353825.624	3323364.184	1504681.043	3754437.312	4936427.822	3151381.257	3467649.191	4597247.23	4535306.793	3476712.694	3937719.662	4320754.387	4410643.193	4034866.436	4390911.088	3626397.483	3500171.742	3614309.823	3690018.774	3268836.427	3538752.413	5393391.991	4375464.493	3450752.716	3068860.863	3615851.96	4341083.879	4604124.597	4272685.354	3967394.32	2709116.739	2898608.815	4861319.307	5137264.6	3354592.456	3740381.656	3155473.456	3344087.172	3759901.67	3919363.411	3692265.908	4053485.844	3591628.986	3865827.241	4049150.014	4907283.94	5463851.758	3203823.27	4554079.334	4319002.072	4331135.187	3301785.974	5375125.539	2929600.219	3785008.116	3403082.44	4076878.857	3119014.062	3384543.078	3760949.813	2911427.386	3830562.547	3018647.62	3527637.804	3971530.197	2888072.205	3664465.004	3693879.291	4004199.834	4821513.769	19282.92241	3390456.8	3360078.4	3892477.884	16593.95879	2850666.326	3461654.918	3650883.371	13360.14267	3359769.027	3245574.15	4646267.836	15584.92225	2484953.555	3314048.36	3521183.327	22569.74816	3050993.452	3328720.492	4070135.727	30032.56983	2835469.052	3535788.107
C35 H68 N6 O14_2.183	161642921.5	131354248.8	94743753.42	95002387.59	65695792.54	91153901.31	79908791.12	117070320.7	148900934.3	78661694.25	74974955.99	173296845.7	107799205.4	76199951.24	166098675.3	103270692.9	144165439.4	98709183.64	103903660	152784322.6	53367800.1	25494274.88	29263615.96	29181096.63	23006212.12	41989273.49	31138139.45	50255741.85	34668513.26	41627242.11	64093583.74	114685066.4	75400948.39	120848387.7	135471091.7	104671976.5	69895896.12	78422067.32	108611512.8	74707831.92	76766084.71	95331812.69	151077679.4	115242456.8	86418535.84	83344859.32	127764669.5	99573200.99	79617378.21	87935121.94	136932066.5	88482183.51	149961551.8	86978822.22	91636053.63	144637269.8	64872570.79	99365922.29	95535623.32	94246705.84	139042706.3	139945806.9	188909555.5	107098351	58066878.48	59611508.92	127271909.2	71173185.32	106230705.4	84913744.54	107443879	83568882.77	68948217.05	150363884.6	94242987.97	54417909.15	85001195.02	136147529.7	182255080.4	73894093.57	101132795.5	96291727.66	139742844	99884386.65	6423253.481	113322703.8	82234782.64	76854735.59	84636982.2	77798357.24	95805208.99	80758008.67	140928514.5	100019032	135664349.6	87618960.73	126798676.6	129999645.7	108076018.6	100074330	148574937.5	78999506.38	31047138.92	31446950.74	25824614.12	47591727.46	27008809.74	68528120.12	54941959.77	49606947.36	26735821.59	33142341.82	170491	95718110.73	94652218.79	92548740.15	227426.7195	85953851.72	90261206.8	101823754.4	829783.3691	100005129	94463946.56	105112088.3	51465.10321	89100997.49	96453597.68	106245038.3	130531.5536	27732828.66	123045938.5	117558429.9	868483.798	86773961.9	85140812.35
C35 H72 N6 O14_2.186	157572060.7	138802083.5	96070587.91	43171301.42	74214462.12	103853452.1	33373944.69	124763213.8	149973401.3	79732047.02	74220092.04	179849137.6	112322530.7	80022009.21	161816552	99197942.67	155234841.1	121134625.7	113560268.1	158357403.2	55137532.07	27644918.43	30904345.47	29551343.18	27577501.97	45884200.51	35472293.71	52520708.51	34098733.64	37149277.43	70310603.32	120854240.7	82407912.54	140591885	151088324.7	106851485.3	76214622.19	86422729.82	115922393.2	73528760.96	79327214.49	96933193.75	158067967.6	119586129.6	105155141	87687187.53	133820112.5	109223476.1	83747786.97	89899700.09	149835439	102352095	170704211.8	105364015	105335315.5	151325702.8	66973875.18	105026761.8	102739198.8	105480834.8	151855043.1	154760928.3	205824457.8	113250723.9	135458414.1	60308215.96	133203458.8	76057190.1	115814794.7	100690138.5	126579861.7	92492123.02	78326583.56	165468110.3	95703458.31	80735175.67	86972611.51	140385689	188676082.2	80567392.57	105154500.4	117663720.4	150293239.7	107316347.8	75332373.69	118441315.1	89965897.17	87936838.09	100697784.7	84111709.07	101898152.1	90344965.76	143525857.4	104128033.8	139488311.4	97207507.12	136244938.1	144987952.3	124186650.6	110542016.8	164418344.2	86346041.59	31768325.43	30700158.61	27809469.5	49782218.33	32174643.18	79878258.41	63885622.65	54869952.39	28192447.73	32398992.54	31215.3332	101913711	93116039.46	97248087.01	46381.56542	90621718.13	95885254.62	110753955.2	58922.29402	109163829.6	105314044.8	116283042.5	66466.93183	46763458.27	112513612.8	114873165.7	48595.3537	44672185.01	121947707.8	118867369.4	36359.84062	92885729.77	88794271.04
C35 H77 N5 O13_2.18	3735817.246	9691775.362	11091450.8	9200334.293	7204104.597	8669961.012	8872354.139	8708527.351	8899347.92	8802571.215	9364875.295	6954319.41	6276567.796	8062789.492	6114744.177	5011305.305	9049049.594	8209676.777	8351092.273	8622810.937	7208471.893	6992676.502	6795408.099	6612048.589	8570035.446	5707437.039	7895734.488	6690225.336	8627792.305	8576897.186	9196775.733	3958333.413	3869469.535	9183857.963	7942397.591	8734169.667	8642237.555	8082174.888	8803504.386	7516205.728	11373559.12	4015808.296	6213992.032	7157990.824	3181901.571	7796529.131	11358620.51	12690427.91	6751905.727	5632300.645	10166367.83	8650183.662	10178203.16	9032736.376	9852868.925	9352883.648	8724520.697	8129469.804	4410746.182	4158438.181	7278339.097	8626552.47	8290324.78	10670172.71	8541175.842	8240219.142	8779652.317	8282573.556	9025703.557	4465565.616	7695630.759	8474868.966	6228999.26	8061608.925	9203673.999	9142043.227	8616706.28	8140444.807	8043847.682	7388543.6	8040812.588	9312593.309	8976114.987	9415316.818	7513916.72	9787412.064	9006543.47	5633541.941	4557130.037	7517311.23	11491793.58	9163435.919	9750462.985	7766940.611	10110274.41	6509552.493	10146362.27	9153146.774	3646287.299	6686336.507	8743368.602	7578210.702	7217597.263	8643893.617	6179435.211	3854352.565	6902489.38	7386920.761	7828619.315	6969119.61	6812211.098	7552617.787	22231.10724	8650003.831	7531020.24	8863714.442	18453.14252	8214452.988	6975266.609	8310355.021	13929.66349	10193220.06	8438549.816	9080732.211	15732.19682	6992151.37	7706754.142	8203257.057	21289.43789	7296436.434	9182775.561	10364209.01	27134.46262	7333400.809	7524178.159
C35 H81 N10 O16 P_2.178	111462459.1	94953226.25	69842053.42	68030165.63	43680799.56	56085985.78	25370540.72	76473074.09	93333541.5	53687885.2	51886214.3	130736919.6	87309350.8	61006343.34	129064893.5	78632200.11	120992498.7	79364381.85	74755954.4	104052492.8	76413663.37	37236648.36	46840176.18	42076198.66	28086478.44	54544798.62	40605067.42	63176454.12	46553656.22	53477477.41	47333311.06	79170723.67	54459697.3	89922146.51	82489159.94	60480159.22	43281137.54	49013579.69	74366228.53	49231533.97	48977428.56	78807743.51	124264491.9	87489597.91	64749669.81	61223011.73	92289865.64	71278373.65	58452299.66	64615524.48	95906073.05	61545702.15	91311654.02	59732063.55	59195186.52	81110991.48	39171915.78	82095852.74	78415339.97	79124541.29	106846177.6	98037961.74	127523504.6	73923554.75	92825607.94	42123598.53	90444225.59	51119432.54	72571835.1	58842306.5	69658790.47	53413905.51	46404682.15	92892284.46	61197721	56035337.39	72833578.01	108870285.1	68271546.52	62202183.54	81268708.68	77190547.71	100098863.6	73330005.53	51814934.54	83751448.45	55677385.95	53275891.01	57530200.93	49437136.91	57163395.61	57428362.04	92289303.44	63681012.29	90147362.91	80652694.57	103086227.9	100333749.9	84371411.16	74169569.92	105586427.1	60234186.17	41307551.34	38790871.99	35081263.37	65112047.12	39235485.59	89523257.61	69072500.7	59186648.65	39580340.6	37542110.84	28196.25368	77909955.83	72076063.03	76226569.54	31392.34365	67962576.68	73558794.39	79982558.38	18643.05171	82031972.49	73964397.57	76336263.37	22727.05282	65239372.83	75130199.34	70342563.59	21622.05113	72205844.06	87891084.29	83620794.87	31754.53663	66372292.47	70399371.23
C36 H77 N10 O5 P_2.181	15544446.02	14127191.69	27182682.91	14498404.09	62022722.2	80011353.62	53671896.88	116952787.8	31517694.34	107118488.6	112031746	16827717.81	18925446.81	19781890.88	11558720.18	49812856.81	12386375.8	58639196.73	146122423.6	86841881.46	11565004.3	12069430.54	16683865.76	15581236.76	67105637.06	42497095.19	38728269.39	80300473.09	136386680.5	134204124.9	22936170.57	54058066.44	49282454.53	61356338.94	121733816.5	58874083.78	52117439.52	981664.7432	96642006.64	25796106.95	104807789.3	17110920	37075436.1	22206176.65	9027189.353	94253838.07	62627354.95	10901096.54	27401399.46	29569197.1	59984780.68	64274839.12	31512882.75	103977758.1	58744404.49	19738357.31	50371966.6	56827436.88	53975124.31	14110273.79	47822929.03	23388618.42	5241271.841	165602832.9	49411347.77	43391593.86	12220562.26	12132420.37	58539713.36	69861683.02	94128883.22	91914823.92	69848244.06	97172861.72	113605590.2	117438765.4	10152967.9	23678655.72	3516663.951	16223425.65	46183273.26	76758305.78	26251784.53	25459423.67	12357877.15	15128784.76	28225291.32	18420647.56	22647740.56	19338615.29	61802997.2	101633288.1	55389893.52	85546289.14	120998618.4	44750884.53	23951203.32	55120230.42	33938971.52	25082262.08	92844550.26	40830917.71	18811078.44	24702552.36	48124604.13	17830401.86	25334369.33	26865465.4	30791305.72	31416992.46	19053612.66	124058782.5	17301.40976	50963202.28	27637139.74	50495273.39	13951.82245	15005759.77	20343585.84	43863961.25	11323.95832	56740760.2	57115070.18	58339472.99	17397.02132	14140670.2	36156037.01	36391672.62	37638.25506	13397833.71	48203813.24	30444599.21	46191.59952	90515983.3	36875755.38
C37 H69 N5 O15_2.182	187887193.6	168050163	120624406	122523787.2	76306865.49	103621717.6	88404844.35	135716523.8	177739144.6	99668252.12	96979878.77	218328108.8	141031564.7	103306186.6	205349966	129030020	190690712.4	124637314.6	124451053.2	187197459.5	85759913.14	44930541.35	48492218.74	48431576.3	38748975.53	66659094.18	47328906.65	73720493.39	54520794.51	61653578.62	84276821.62	146576302.1	95546404.17	141182726.5	149387177	115577951.9	76329887.12	97767879.07	137040619.5	91640537.95	99669726.22	126961182.5	199456541	141098871.7	112533017.1	109009215.2	103820052.5	126382208.9	101425442.4	108968653.6	171455176.4	107776197.6	172632512.8	103236818.5	106852930.3	154671222.9	70909684.47	139745006.8	130445471.8	125788549.1	173345616.2	170664062.5	217689934.4	132156871.1	166990098.1	72673230.78	169863644.2	89897471.84	131105827.1	105629582	130721047.5	93658722.1	78742845.59	170826138.7	106053807.1	102010333.3	113069759.4	177674742.8	239919424.5	102163523	130785824.9	119202780	169727678	120367442.1	90233962.71	145650468.2	103449425.7	98818346.7	102376630.2	87454860.38	110111508.9	97887136.38	162486544	120139157.4	171276163.7	123137617.2	167998325.8	168263637.5	140210915.4	119615207.4	173186224.9	101644476.9	50886803	48363039.9	40626451.46	77603317.64	46521556.72	110101644.3	78186890.35	71466795.75	45915270.66	49693870.48	61492.47469	127644422.9	125783416.9	121929330	62836.97553	115984402.4	124857578.4	133183791.8	40876.27925	134008250.6	122514847	131029595.5	44756.47053	109080217.4	121588494.4	123742242.9	57577.24126	122069589.7	138322083.9	144727528.4	73972.3469	111200189.2	115763159.6
C37 H72 N6 O15_2.182	169763163.8	150384031.4	108004269	110261449.4	67442672.17	91712204.84	79011556.75	122771103	161321791	88906570.25	86353155.56	199481105.1	125101926.8	92472620.19	184227999.7	114330188	170240531.8	111439815.3	111360180.3	169105749.5	76405797.73	40244345.3	43034174.99	43314464.36	34484853.03	59022022.75	41709203.71	66140504.32	47943171.33	55604803.82	75637831.63	130869860.2	88075478.01	125227962.1	135818319.3	103247733.2	67648317.75	87254975.44	121811614.4	82368598.51	89391282.18	112318379.2	180361726	126954195.1	99041008.47	98257364.57	63809992.5	112787352.9	91107876.69	97594029.21	153095690.4	94662400.1	153893688.2	92264002.78	94614687.06	138667414.5	62014263.63	124759439.2	116147525.5	112266978.6	156309285.9	152041174.7	194743922.9	119165718.6	148287624.1	64823678.98	153265156.2	80199076.59	117932770.9	94836041.07	116500274	82948077.28	70616565.61	153179968.4	95252511.24	91431422.96	101862822.6	159588436.2	213845997.4	90960543.3	116888221.3	105233005.2	151740914.5	108111390	80842409.75	129986915.4	92266001.71	88243534.07	91075485.83	78944230.66	98921269.31	91169047.62	146362064.6	110034950	153958150.3	110815329.9	150275207.6	149519019	125128437.5	109462978.4	156767269.2	90223415.29	45331271.17	43079055.8	35758046.09	68896848.8	41345098.36	97844938.48	68768926.95	63552389.49	40900784.02	43989310.34	23518.68439	114463212.9	112715430.5	109783340.3	30607.71852	103257295.2	111761159.6	118689052.2	15728.65057	120935675.5	110120573.3	116421856.7	17263.21696	98302973.86	109240082.2	110106420.5	22269.72364	109547263.9	124919510.8	129557563.1	28699.64007	98972625.2	103954362.4
C37 H82 N3 O7 P3_2.189	4277629.188	4224563.808	4140793.603	5263740.607	3246936.014	3508328.703	3666456.994	3632181.984	3805685.704	4293479.832	5547711.152	3600432.097	4735277.302	4471307.203	4558799.967	5388449.71	5037995.882	5424713.032	5012256.434	4997416.492	6257695.838	6151339.54	5458067.535	5706054.319	6418569.448	4217324.615	6778436.649	4498585.036	5813958.611	6532928.824	4084379.433	4376940.838	4580024.13	5008759.51	4110780.59	3995584.93	4499121.257	3874617.008	3893501.656	3344400.271	4474740.79	4881060.71	2856749.72	4282558.712	2248506.956	3379554.035	3860586.913	4651630.452	5474714.363	5468013.506	5259192.75	3917803.538	6204647.908	4381904.147	4940700.644	4152206.341	4145545.719	4220495.938	4665341.187	5069433.474	3509105.598	5036494.232	5101796.734	5412667.784	4612773.098	3686099.024	3500210.11	3704410.309	4186192.376	4577170.701	4501612.845	3938388.745	2642534.742	3888067.998	3933073.024	3861735.85	3232334.352	3817305.168	3727664.793	5269663.817	4373385.641	5249841.36	4258364.433	4521054.968	2969300.151	3993764.615	4550829.149	5102234.809	4427271.435	3867472.507	4974841.032	4959609.612	4632220.992	3298897.743	5025634.676	3659205.499	5250014.618	4383226.802	5170064.267	3864532.216	3147583.416	4026223.52	4073377.602	5937456.177	4705095.239	5024897.653	4739175.613	4979908.244	5145286.099	4703027.425	4273034.916	4544565.342	18769.96817	4250901.852	4241509.879	4380273.878	17116.43146	4369882.384	3514379.705	4241230.671	13989.00521	4812343.582	4345203.842	4318031.991	15529.58875	3785633.662	4330988.653	4159466.233	20162.55777	4122358.83	4174293.926	5206921.203	25087.5955	3834410.663	3955113.83
C37 H85 N10 O17 P_2.177	68463490.14	61552367.14	42738012.33	43619371.11	30431951.48	38734484.19	34562664.09	52020902.09	64761037.18	32433862.15	32960104.55	86298163.33	59531106.07	44626652.76	78175207.96	51763878.52	79392065.87	51235440.12	56045966.48	76457773.98	55087077.66	26936607.35	33013546.12	28998243.04	27344508.18	43121225.76	31013962.72	53876283.08	36938075.02	42025872.75	30666408.44	53036660.38	40480546.12	55461232.88	60400879.71	43744264.52	31364874.18	33901770.33	51618836.23	30982969.24	32683376.2	49641288.39	76423472.3	55464749.85	48085916.28	41834686.55	58437013.47	45056821.34	37357275.33	40700626.56	62753015.26	43091832.26	67319421.1	41447548.47	41397865.58	56027910.75	29719529.88	52130755.88	51575159.36	53355844.29	70035648.22	70534143.91	91550671.06	56662592.4	72843011.13	26079159.21	59031664.06	32208307.61	48571224.53	37922525.37	49431925.05	34973152.46	32015076.68	65820957.31	41264672.96	35368001.64	46307295.99	73052761.11	92912407.41	40974722.17	53037369.8	52655935.22	76232389.02	57248035.18	33205811.04	54021640.75	34893854.85	35867466.54	38738208.5	34294282.48	41102940.88	40756207.98	59285481.06	41747092.94	58908885.42	50298563.81	66391590.32	68416017.25	55381261.42	51671819.04	77237277.31	40127036.43	29620759.32	30245098.14	25243263.21	45613238.2	28252111.14	66984347.84	51058087.16	47712977.43	29620065.5	26220028.72	23360.90713	51006435.43	46882433.05	49083904.2	19798.86039	45872792.2	47679042.47	51121154.36	15184.34567	54295467.84	50724410.76	53216967.81	17424.21538	46309983.59	48283844.68	24038965.78	37521.27857	57153965.2	57733249	59814011.42	28640.44679	44386129.91	45675852.34
C39 H73 N5 O16_2.179	141906784.7	124558857.1	87785185.72	89135910.16	70933780.63	87387336.25	72297210.08	101534851.3	131246149.3	72923240.7	71381816.8	171681519.7	108679983.2	85496007.28	158138297.4	102554934.2	155969852.9	107718194.5	106015410.1	153055494.8	77036115.44	42311176.5	50778835.23	47373679.33	39123964.77	65201819.65	50778403.68	74476981.04	57456958.07	62174985.76	62784819.11	113343142.9	67260186.81	123816734.2	121091246.4	92917424.66	62746068.08	70724237.53	97275586.2	67266642.85	72587180.12	94812222.96	163090798.3	115861642	96588284.8	83301324.16	121576009.7	96873513.16	76101023.27	82681963.43	131649681.5	89705047.32	140887993	81664984.73	84599787.17	124350190.2	31112518.2	105703992.8	101215573.2	102469028.3	145244036	144590519	188776369.7	107683456.1	137033264.8	59036817.98	123184511.7	68357950.79	101748471.9	79248487.36	103452636.8	76824935.51	64647033.58	131731081.1	52120245.89	78651036.01	83221037.73	140734993.5	107789819.1	78350298.96	107382499	99913808.79	139394957.6	98831254.47	71247597.9	112905926.2	77466059.63	75127673.31	84423615.36	74368414.68	92720095.86	80568045.94	127504060.3	91977196.47	120223645.2	94423001.62	137270980.6	136088803.3	115326191.2	110884828.3	152197704.6	80854120.2	45959487.49	47720411.27	39009222.03	75788262.66	45062982.11	106371923.5	49411821.2	71680855.39	44887329.64	45821351.2	40918.38751	100869097	93742153.8	97980036.21	46842.64884	91457259.66	99415199.11	104013708.4	52178.72463	104910362.9	100574008.9	104005789.5	35068.52934	79722358.37	101634933.3	107665184.8	41438.9331	60059019.58	121727107.1	115429366.7	49636.45037	88349081.02	90488265.72
C39 H81 N3 O6 S_2.144	1656519.516	1405212.864	3114749.613	895710.9324	1638144.392	2291039.929	2430203.867	1930622.434	1101464.292	2254634.317	3311985.031	706488.898	1952638.618	1493303.908	2309039.49	2558046.692	1877846.676	2212464.62	2434345.985	1513166.299	848050.411	1567339.007	1377582.648	1628126.522	2011018.081	1389896.254	2365619.515	1505070.413	3385648.734	2652786.446	1868099.24	2165788.634	2644771.492	3261181.025	2195292.811	2906534.621	2398349.163	2304843.287	2540899.439	2337867.267	2610301.377	3442559.82	587605.8712	1658365.025	1186689.976	2628161.15	1383152.631	1258175.666	2055282.422	2877665.169	3115062.037	3106714.427	2996816.269	3483969.1	2776757.844	2892307.665	3448698.559	1723798.18	2382802.275	2967960.434	1772779.591	1949458.217	2939990.981	4403724.404	3110709.388	2358348.078	1409345.91	2079045.501	1999189.657	3236939.042	3020676.874	1623345.973	1227549.635	1036216.309	2390322.466	2619542.375	1320272.579	1376333.997	809552.3662	1777630.476	2095714.68	2960535.738	2564675.831	1888621.149	1198815.31	1558099.287	2369119.616	3612747.277	3223774.372	1704153.224	2294026.069	2739611.088	2597296.772	1525347.197	4091426.749	1108548.655	2387509.02	1681161.037	2556117.427	1350041.267	1567878.618	2126946.675	1092685.313	1370677.09	1432706.366	1800211.16	1606044.621	1589805.307	1647050.073	2280964.78	2037601.331	2142158.855	11126.98639	1456618.849	2314946.275	1721131.363	10254.55463	1788610.415	1653115.536	1686412.199	10276.10572	1791194.968	1570522.388	2777073.064	13882.99568	1310061.567	1452075.686	1671643.352	24015.17457	1772752.391	1889052.88	1924080.652	29115.0954	1435339.847	1987124.169
C39 H89 N10 O18 P_2.176	43143300.56	36122650.2	26770197.51	28059450.02	18373098.69	21949848.95	19298104.35	31111788.31	36142483.23	21755913.86	20117106.07	57190186.66	37923488.34	30143213.1	48083901.91	33999511.36	48720500.42	33635444.19	33796627.97	43561950.12	37560605	19699782.9	24398128.77	21165801.95	17589300.73	27754479.84	22208358.99	34303767.84	24948527.2	27502900.95	18092256.53	35265987.38	21918165.52	33856598.02	32165119.83	25909054.85	19526565.23	22702954.26	29858118.29	19740382.33	22053428.54	32240089.34	51971057.64	37486296.42	27927777.06	29212182.84	37291497.64	29621090.05	24568219.98	25827240.83	37710636.8	25052668.41	41368845.19	24132468.72	25609608.34	34629169.04	16061930.68	36477318.6	33566171.43	32859121.24	45712887.87	45680731.47	56890097.6	32725861.73	43491711.58	16091031.52	35154123.05	20072631.63	25998307.56	22027496.55	29720824.82	18202368.84	17747969.67	37879558.28	23616441.13	21502046.86	31507128.11	46186245.11	59816762.11	25431981.21	34451998.96	30547429.16	45936145.63	30987105.71	21325296.72	38650508.13	21996377.21	22051621.88	24160689.61	18176746.71	22918560.3	23760474.34	36614196.39	24155157.1	37812034.1	30699456.06	43631666.8	46105624.12	35940413.72	32128993.13	40613370.68	28037202.17	20946856.2	21389788.04	17626687.35	33657196.93	19799536.2	45896241.66	32419586.63	31064301.64	19747269.4	19015705.28	24369.68242	34222715.65	28913653.07	33831266.89	20499.42018	30162935.76	31519303.21	33772265.95	15545.51722	35173121.07	31320128.48	35428754.97	17095.871	28354419.6	30511745.49	31980495.26	27951.6667	30593413.01	34668970.73	38213914.75	28876.44296	28809330.88	29959659.4
C4 H N6 O9 P3 S_13.167	3758346.974	3661733.776	3782659.235	2929400.445	1561897.644	3433766.519	2243059.633	2163741.72	5827375.48	1929098.086	2494253.945	7548550.896	3080653.254	27266.28621	2516935.087	1933845.998	3345827.755	1857159.524	2767016.944	2549831.634	3013042.17	4342359.604	3167454.866	3257185.312	3482066.975	2205460.408	45672.17027	1703680.82	1926171.676	2313933.964	1309968.625	3716274.951	1554326.942	4358600.07	2273674.053	2082978.783	1683043.437	4357613.027	3628025.547	2990502.315	31363.7127	38528.5178	8623144.555	2780014.387	3940050.217	2813361.316	5043224.646	2508164.474	918666.9767	3044142.934	3975247.196	2686409.485	973884.991	2848044.92	2695493.542	2165320.008	870074.5996	2330714.525	2536822.923	17370.86169	3000431.05	3479592.891	1539457.406	2217608.268	2091714.047	1827619.871	6389689.208	3664578.569	2800372.843	3757011.151	3580044.927	2992682.576	1753409.979	3359133.463	1914915.499	3048571.262	27463.18745	3616407.826	6156233.562	2810803.858	3087343.264	23297.77044	3751651.925	15213.09566	2964142.835	3070737.318	2548908.5	2976154.631	2618009.899	1709196.211	2601245.624	1366110.42	2645560.245	3027177.823	3721242.989	1439165.836	2669704.11	2607122.217	2612802.89	1908114.998	2995424.644	1996833.638	1944334.196	2742383.178	2424602.361	3352843.123	2130671.538	2203554.68	3168113.428	1706091.182	1807055.891	4758355.275	27858.78424	3120642.074	2859351.695	2636061.792	25027.75346	1963828.343	3288326.498	3444942.644	17472.91625	2869532.966	2938306.773	3279165.834	14286.38321	1989477.373	2433770.585	3436567.744	14074.80654	2937680.764	3075361.548	2023077.508	10332.18446	3082347.136	3031056.694
C4 H11 O8 P_8.375	1240035.641	1657934.245	2389882.112	1186153.435	679770.6683	782883.8998	935239.2177	1645904.695	1498186.59	1284631.466	1756567.176	1422240.731	1186490.053	1014823.012	1180359.066	870776.6653	1359091.268	747739.7419	1080465.951	1712391.995	993084.1542	731342.7786	509403.7822	501952.9653	1185324.895	513110.7066	684563.6227	899280.4545	884685.8019	1331640.522	2635259.991	3072748.737	2246221.917	2808617.043	2017230.478	757417.1509	1529480.251	820193.7113	1100923.447	723569.149	1084400.27	4193262.073	5240286.906	1853103.703	1788140.128	525378.8792	1998871.8	1368423.985	439550.6396	1212497.886	1632030.248	1213859.843	1389088.734	1208356.266	1476975.628	1497701.282	1313580.143	768714.7152	858823.4239	1480575.456	1118052.17	1317156.379	1271594.231	1098831.525	1383223.816	1607174.639	1857035.746	955152.4426	1796004.678	1175978.462	1666877.931	1442123.542	1066987.179	2295075.121	1304706.02	1710751.356	883759.5297	1234894.281	1635050.466	1699269.319	931963.864	928403.4246	1529751.219	946522.9954	836115.2085	1432216.631	1027263.288	1883416.094	1443091.735	989464.3089	1319101.149	915983.5169	1439884.544	1362270.517	1910794.894	778773.4575	2122234.117	2075035.142	1588322.465	1301712.958	1590818.805	1481268.22	708714.2762	861461.6769	1109922.645	1398647.097	809965.7562	472268.0349	1071857.272	924536.4945	487756.9386	299838.1841	17656.97872	1596572.126	1372335.009	1377440.89	12239.864	1222421.007	1581902.114	1689776.626	10124.9034	1547276.323	1330265.971	1708757.104	8958.90923	1471016.743	1423622.974	1382439.86	10326.62423	1503471.562	1668887.144	1485291.249	18971.14368	957397.1084	1733837.608
C4 H11 O9 P_7.956	20514.36857	21814.88366	22581.79899	19703.65779	22462.67563	20875.23423	28453.71509	45730.69196	45052.89326	66929.30859	76530.73996	22302.79704	21033.27348	18328.23452	18553.08726	17913.95293	25922.45568	23300.43866	30910.62269	40718.63205	21195.53179	20177.68614	19210.61151	20729.3418	31858.61046	18275.95705	26455.95898	27678.86258	30699.05406	34048.74943	3993011.363	4386488.82	4668750.022	5662236.042	4892063.059	3143023.733	5801371.889	3275333.567	2709189.128	4061915.663	5513965.61	8160920.894	23580713.91	11987625.75	15236652.23	16822273.74	80435.81415	73218.83888	42365.55148	37909.01282	55174.08212	66254.41415	30918.72215	72016.21312	28697.57167	43413.00359	31933.41505	128144.1939	101208.1185	67790.8043	117062.6555	197946.4336	216394.1931	171459.6078	171084.33	57641.71999	58705.18094	60040.21927	35762.26967	69285.36561	84352.90485	38877.55878	39828.61174	48259.85817	38855.42565	144944.18	276533.827	264512.2057	232144.753	85188.34878	56424.00739	141285.1859	154900.7226	32497.25956	43786.0402	84126.03192	75989.36299	69987.10296	88313.24372	55588.17886	37413.06639	49367.36819	115428.8424	96355.50665	118690.6503	161600.983	141399.608	182262.8583	166940.9968	158077.8403	139320.883	268126.1534	29348038.78	4478100.106	9436772.041	19484675.83	12135099.63	8289335.322	24194412.9	15740615.39	10580375.3	11127318.43	6373.679731	2020237.017	2165603.866	2238092.901	6516.713674	2575679.854	2064606.332	2457320.806	7533.012639	1961070.222	2308773.163	1658091.602	8582.418077	1690017.473	2526811.12	2306627.614	10335.551	2708663.759	3177638.273	1321079.742	18695.39094	1093459.244	2861789.413
C4 H16 N7 O5 P S_8.071	2626290.87	1791809.009	3205305.479	1149174.366	1949453.436	2089896.413	2375808.608	5062705.8	2052288.744	5031200	4363451.698	56283.38291	2408875.837	2183227.397	1763574.788	1538854.518	2070972.022	1553709.733	2116087.294	3621631.928	2270128.561	2861099.217	3072182.731	3026317.266	3477289.97	620904.1681	4586513.105	3998677.322	5024412.029	5391544.469	2241222.933	1599331.233	1393149.29	2147985.466	2199921.433	2118669.269	2073895.121	1567941.633	2317412.021	2041890.08	4604587.114	1511689.907	1119621.044	1557269.146	1692975.86	2974146.268	2660181.671	2676351.223	2334237.817	2032330.584	2472594.386	1774965.755	2594661.144	2060438.137	2485038.45	2864072.548	52573.78553	2165357.001	1699058.53	2095420.9	2114368.98	1728435.974	2341939.923	71041.33634	3059870.39	1961848.181	2546058.428	49412.84981	2434560.012	2420813.971	2218883.55	2541228.623	1817088.113	2718832.972	4435072.957	2655309.97	1607594.335	2294775.387	2977055.963	2111155.715	2032031.754	2189435.251	2475972.116	2426312.993	1981339.827	3158781.969	2658740.448	2498781.716	2257430.567	2191140.612	3506287.248	2918112.919	3573429.386	2093767.14	4381518.547	39269.86062	2631568.751	3271086.374	2562580.679	2235875.827	2727113.522	4009982.65	3465286.116	5016393.346	3424994.174	3591105.069	4694632.514	3193872.428	3763233.451	4518207.696	2908165.685	3404353.401	12201.42118	1519863.414	1209572.47	605447.9902	12551.897	2949047.822	1157184.324	646739.6974	12486.37377	1911547.469	1593927.273	1025830.912	15548.74546	2107935.163	1326801.994	766546.1687	23454.26344	2459233.234	1509487.318	644388.0449	56814.68765	1473125.354	2041577.877
C4 H2 Cl N2 O10 P3 S_12.891	5672193.642	5515702.967	5967251.364	4989571.988	2854706.313	4588733.595	4169575.56	3871279.45	10250291.97	2929572.629	14776.62796	31061.59911	4555368.021	1697169.691	3864124.95	3274239.803	4963783.438	3202208.255	5305030.329	4601583.851	4132542.959	5971530.435	4578767.066	4452148.895	5322666.042	3876701.354	4092244.739	17772.21156	3534304.949	4406361.871	2349574.177	4943203.185	2566031.486	7843912.583	4311788.677	4093211.776	2957835.266	5138032.309	635222.7845	4303849.224	14063.41547	7054478.097	15447490.87	21407.29396	7137452.25	989520.5475	6996607.651	4318396.179	1594000.852	4692252.146	6062450.845	2853152.822	3494729.325	5629233.203	4983194.577	3965016.759	2028332.09	21467.68656	3910262.47	21974.9044	3897412.844	4973488.756	2948467.206	4815612.98	3650894.09	2881507.089	12018638.94	5426589.182	4696864.223	5827233.91	6114030.233	5278945.897	4072157.852	5784210.732	3480251.319	14097.26493	5803086.301	28130.55692	27547.63135	23749.01232	23104.17513	2822510.085	18260.81849	20124.78785	4664309.391	5082938.616	4087667.725	4680136.293	4435803.557	3626007.276	5002476.042	2655125.257	5138010.458	14371.85713	5814084.274	2643985.014	4517926.578	4464423.007	4637096.612	18951.55105	5154104.32	3669259.585	3417584.641	4400199.484	3764910.002	21398.9835	3735671.182	4005782.64	4125806.125	3482983.518	15106.08904	14079.47935	27667.3172	4715694.368	4691801.18	4308285.807	25561.99559	3277652.508	4832926.534	5445419.69	20899.01089	4257429.6	5975239.056	5077624.424	18691.38348	2361758.328	4987791.416	3212800.523	20656.12482	4777672.016	4880431.407	16678.61167	14693.43934	5068900.187	4278469.92
C4 H2 Cl N2 O10 P3 S_13.112	5560632.743	5362886.741	5800164.492	4784646.112	2719817.349	4357396.715	4187203.211	5006266.151	10731453.15	3245074.275	4001924.677	9005377.588	4435066.7	1641193.089	3758080.252	3213430.965	4718373.595	3030534.243	5506527.753	4970928.042	25457.49273	5790414.785	4380807.903	4256178.15	4994987.835	3700422.144	3999535.259	3499890.099	3772505.213	4466815.783	2302904.708	4755779.427	2502605.671	7399594.081	4273489.346	3703692.173	2895291.467	5521649.034	5680753.586	4795933.929	4090896.453	6820748.58	15025838.74	4464697.46	6669669.842	1022366.174	6728555.794	4205723.232	24699.21128	4544010.029	5713211.082	2661516.46	2376840.593	5278714.969	4763220.101	3682091.93	1795982.003	3445784.155	3762010.228	6511747.448	3912418.12	4657713.033	2803921.099	4343565.196	3785338.743	2817719.35	11623730.04	5273877.982	4443955.758	5462845.956	5672484.347	5002911.312	4503243.475	5504984.513	3812755.118	5058203.718	19853.2616	6086596.117	9117182.516	4207500.454	4842307.419	2770410.374	4841928.876	3869592.863	4526496.301	4278269.28	4070122.152	4692413.866	4069791.862	4544639.293	5328788.859	2685937.885	4882198.453	4558134.187	6509448.195	2484955.154	4428989.897	4287128.071	4356206.968	3121258.884	5109486.092	3851490.395	3231094.125	6220128.923	3661712.458	5019056.807	3539109.111	3831388.069	3849310.307	3273002.776	3277883.938	5952213.422	20766.25984	4930520.402	3930342.351	4148415.277	20875.13316	3216330.903	4720677.471	5197063.22	15725.93019	4099860.341	5314905.821	4734323.811	14505.2163	3119190.032	4571259.138	3097381.011	15922.38526	4633144.221	4915235.727	3446425.277	12086.23056	5455125.625	4117962.502
C4 H2 N6 O6 P2_13.112	5928638.076	5698886.122	6015695.052	4393714.889	2886896.857	8058617.402	2671254.518	2911024.157	12442890.45	2301754.767	3211866.189	11256065.88	4149950.257	863280.77	3948014.887	3410339.781	6513893.134	1965256.875	3981780.627	2976699.595	3555686.515	8818231.758	4832646.506	4301325.431	5213538.335	3842071.95	4379771.046	2683488.005	2891350.907	2814513.203	1463666.191	6206882.933	1695477.371	9601524.238	2840671.261	2393420.543	2496579.022	8122760.416	6757934.221	4431074.062	2913623.532	8791649.15	27194872.51	4206942.073	6688508.721	5627926.888	8844200.595	3970821.333	865615.4733	4571850.415	6541667.173	4226260.984	1720848.094	5239920.07	4335812.195	4362017.005	843224.3483	3026724.016	3386863.499	4606595.224	3121150.759	6089794.509	2216569.024	2569020.244	2789775.972	2570144.426	16492020.75	4961256.13	5831650.388	5160583.678	6158185.423	5404065.472	2181859.504	4098954.369	1915720.723	4839463.973	29124.76726	6347139.243	11620408.35	3683945.736	3832492.289	2085663.413	9452167.806	2105217.337	5202801.627	3997309.735	3418220.577	4273458.729	4826302.862	2023903.079	3263003.301	1631092.165	3608299.804	4777308.182	9900704.22	1441386.556	4075829.286	3352543.363	5641767.933	2938374.232	5052623.077	2701946.894	2445440.73	4011733.536	2950329.319	4892417.057	2372560.52	3065016.68	6189876.796	2737589.591	1985456.528	10825720.85	32330.7803	4734739.457	4214701.329	3173652.373	24623.6981	2899238.068	4916786.733	5633355.881	16078.82707	4094129.255	3876417.863	5451045.994	20278.04402	2845713.122	3619492.922	4914398.711	13698.36343	3796118.864	3901638.152	3685154.532	10652.40455	4597193.731	4315026.403
C4 H4 Cl N6 O P3 S3_13.118	11589066.3	9605870.959	11323042.17	9404671.552	5779129.037	10221061.82	8479239.517	8354326.756	17072980.53	6544160.095	7537111.605	16741897.56	9010793.841	1667637.034	7633854.258	6447413.094	9695897.112	6391794.714	11137280.61	10988500.95	8481009.111	10223458.08	9220274.085	8781545.08	9020228.363	9639653.718	8335817.669	7425622.939	7534203.721	9128427.521	5281484.995	10470781.33	5173600.101	14129549.22	8946807.996	8215007.142	5930340.558	10729379.82	10795575.89	9279758.397	7883845.001	12355739.18	25447410.52	9109044.555	13179566.19	5326959.675	11738211.47	8268396.926	3267960.571	9349058.993	10606211.27	7676782.667	5042948.368	10435067.83	9507514.06	8207551.922	3899728.537	7128807.751	7699767.62	11874815.54	8158519.556	9579435.575	5654274.746	8646942.656	7509630.253	5685428.981	20968203.54	10478607.97	10308191.56	11688199.48	12329821.76	10078510.83	7929119.144	11238835.43	8083741.235	9536956.488	44425.89979	6390247.443	18165163.62	4255937.539	9941097.606	5767695.047	12725822.07	7710523.354	9318216.094	8893102.09	8314135.999	9507035.485	8958793.01	8090768.566	10717917.68	5524027.547	10303449.95	5101077.51	13537151.62	5280004.793	8911065.298	8926271.307	12254316.94	7108059.785	10249124.9	7828299.018	6606715.086	10500242.98	7588480.409	9931531.239	7550516.576	7987410.143	9320831.618	6325992.683	6344341.702	12428289.67	46504.32529	9747510.667	8600889.668	8399973.648	46923.62117	7114821.599	9593821.074	11873497.39	36778.04728	8646696.719	10311845.17	8274920.171	34455.14015	6574565.482	8969515.431	8800924.461	35971.20721	10034839.81	10158227.49	6555015.873	27836.3451	10062354.86	9342834.701
C4 H5 N O_7.858	35777988.75	41796673.17	38045731.47	27537976.6	24269571.06	23392132.78	24384558.88	34145450.71	40878033.51	27672646.64	22164176.72	47901689.14	35740727.08	25163016.68	33040359.97	29388280.9	42758858.94	22823200.21	30371439.42	38241362.61	25375249	27173927.27	18534967.98	21131317.44	22324190.12	15878996.37	18924321.21	21875683.68	22162030.41	21272486.84	25453654.45	54311029.45	37087403.45	43798064.21	35874812.63	22723248.67	31330123.83	42885881.07	49343668.36	39235192.25	36402733.44	33928093.68	47847752.96	32974287.81	28306585.69	26640093.94	69144149.81	43344312.87	25899480.63	42862724.44	51726712.4	45027953.23	41817673.15	40425616.36	39149409.93	45288056.66	27213655.36	51639762.04	48496788.91	49608319.99	42895447.69	49601952.76	41173647.9	44380899.37	46305244.79	33864147.28	57229953.86	33930355.66	52962466.57	36643394.37	38343090.91	35069226.62	28468316.02	42441190.25	29682841.84	33446970.52	33532450.64	50889320.95	54883574.77	41088169.67	41689553.84	36174508.98	45024439.87	31785919.25	36299332	55519091.53	40568799.74	44442225.2	57276455.38	37454486.28	38634776.7	30008561.43	45657283.17	47242264.7	53666729.44	54874011.13	78794715.14	85716124.29	71677819.84	54512601.36	67969625.54	58063892.57	24170723.42	30477718.61	24452733.33	40486554.62	27305025.78	27296768.28	40583584.92	29685255.86	22494653.63	34981533.79	89600.22395	42441716.49	39326334.22	37769083.82	124845.5585	33994948.41	42421257.8	44050197.26	92483.71222	39456111.23	39639529.87	43422143.47	77955.06749	38477043.46	40344196.14	38605785.68	87007.86705	40106325.18	41364065.67	39168504.71	103599.9239	38786928.24	39755411.07
C4 H5 N O_8.218	13502010.89	15358757.11	16495757.78	13806412.94	12756020.89	13934879.53	17489198.8	19783646.7	13300375.17	14532936.62	12745870.32	13208550.82	10230109.91	15681923.5	8938443.27	9065696.768	16432384.78	2007591.962	11956033.18	15092774.73	18789539.62	724465.2742	2245827.739	17844276.62	5413485.782	1970807.932	22726410.65	18402385.72	21143630.81	23529554.72	14952205.61	10018419.38	8839091.38	14731298.11	15167257.59	12492408.83	12601244.99	13109202.84	11550238.73	9600953.664	13208639.83	9027727.63	4985545.097	17959205.7	16352720.95	7911687.375	10410882.75	15009406.5	12014770.09	10885069.68	20697240.88	11440500.2	18176667.39	16922520.52	12717882.08	16685993.99	15833640.02	10975765.41	11503592.45	17350843.89	14129326.75	13781995.34	13357678.83	15684275.15	16393373.94	8414482.95	11290313.65	11086868.3	17959941.09	20962206.64	18891472.35	15425246.84	16230112.1	20275870.78	22772452.68	14430009.52	10760156.24	8119888.903	15401031.46	10553731.42	14624596.66	14074082.18	19120992.93	18722040.08	2046900.107	16677078.74	14418378.84	19027378.95	14561439.38	12714288.71	21776564.09	17153627.09	16885777.66	13212944.42	18478675.61	18299365.48	14822806.02	19665524.35	20398464.67	12063936.02	13740977.11	18094112.98	10370545.04	12124107.38	9383887.501	16909937.49	19342426.77	10410153.22	18254801	14931332.14	9961142.404	7762717.243	5927.021772	11563027.91	20391763.23	15535519.4	7914.138818	17673214.15	8862775.647	11834721.6	80501.39378	12821987.96	14052318.84	17987711.88	24821.23263	13795893.65	18038187.87	12343544.04	79503.12247	14509273.7	20081868.9	14482472.62	16698.68883	12454789.64	14111542.81
C4 H5 N8 O9 P S5_13.017	3058522.27	3474945.018	3680928.941	2860183.988	1418594.374	2851177.836	2475987.895	3046359.474	5938260.052	4546337.627	7970246.885	4342464.233	2574516.804	963654.5611	2133579.516	1968423.139	2943223.312	1592054.974	3022595	2755007.636	2636745.2	3640974.687	2775574.327	2647604.22	2876456.762	2044648.15	2126156.814	1929635.708	2334413.883	2844050.853	1499088.679	3705143.155	1677077.708	3710299.128	1446442.476	2194036.638	1568086.326	5080297.173	5532421.483	5012468.985	7453909.547	3565676.807	6468451.584	2487030.023	2964716.13	100679.783	3409389.933	2955616.866	1008140.808	2823419.466	3099753.318	1769106.942	1214246.461	2854893.728	2142441.595	1697818.224	955838.7161	2174569.585	2385431.211	153218.7503	1998119.196	2501395.104	1350839.992	2639814.324	2527657.728	2690335.43	5979318.859	127362.2931	862487.6674	2924641.161	2849417.688	2335905.255	1186229.745	445107.2067	31025.8842	29084.42981	2889787.395	3404847.499	6010294.364	22254.00775	21977.59496	1587162.597	1067893.674	16995.07212	2612697.219	2657815.359	2216361.228	2644864.491	2133984.672	1544493.069	2594107.988	1560756.147	3355300.953	4018275.784	7654299.72	1672734.946	2705880.026	2286538.666	3283708.691	1361942.574	2315604.261	2823894.11	1813343.996	48456.15482	2269891.886	2768990.669	1902436.921	1592295.097	110872.4735	1541066.675	2776933.46	6065281.557	22140.61349	2423248.458	2704129.319	2546928.942	23534.96047	1956382.831	413115.9481	3130976.327	18184.8386	2830888.523	2350166.699	2472671.183	13350.20719	1775706.9	2039878.604	2715660.628	15072.77556	2597081.074	3022865.049	286180.814	18450.07518	3954001.445	412313.1223
C4 H5 O6 P3 S_13.331	33541.66118	27157.60652	28299.66465	15818403.05	6962528.424	21783902.52	12670175.09	12507649.43	29738420.68	10517783.57	12212505.09	30033811.14	32850.48553	30626.91976	13323324.3	10804613.74	19016545.66	11083771.31	15401416.03	16921.4757	28414.12824	28750.18529	17531916.58	20850875.72	19616373.75	9177482.225	12412081.05	10887491.74	11030983.81	13194024.02	7947433.672	20803105.59	8599666.175	27932902.03	12927787.46	12035846.42	8688604.859	20668668.02	19465649.98	16235076.52	13403535.97	32567.59763	1123483.479	16591698.66	22923347.82	12913332.39	179218.8467	32459.2815	34094.19896	16446574.67	22784818.02	24233.21777	8072529.436	19183104.89	15156966.57	11718175.29	5223641.66	15785554.73	13630902.75	16936556.01	13449177.68	19292604.15	8938824.201	12222256.09	11591124.33	9511456.867	23046.49793	19338879.64	21707023.93	21852624.91	30810186.57	17181432.04	10109493.84	19090576.15	11104476.26	16647226.94	37557.66467	21455753.01	32693612.54	15146566.3	17484369.24	17894.87611	20944903.49	10777539.58	16391049.5	27558.58793	14496429.4	17399689.99	16394096.11	10621680.55	15645269.81	7950371.931	15596922.12	16107703.25	22709008.59	29542.50034	15409744.84	15871110.39	20921045.51	5941482.586	11501732.22	11557174.99	33519.58368	15627233.75	22769.99077	18662774.08	12628379.41	10367605.63	16403893.12	9727894.276	10128952.04	25910838.42	37834.78878	34368.97085	14940741.28	14478271.97	29976.17608	30155.59276	18062953.07	19549709.84	24461.93999	15563427.1	20844.73869	21255.01027	20512.98736	11463920.69	14073097.54	18680052.93	20257.68002	19037930.52	16175468.71	12736413.76	14496.8422	17317416.23	16308571.05
C4 H6 Cl N2 O4 P S_12.999	4535783.04	3126532.036	3498322.173	2101678.512	1138032.53	3443331.383	1914494.581	1967633.215	29020.76089	1574074.755	14232.2918	23510.32656	2435610.301	864734.1749	146788.9113	1960323.887	75102.15948	1075470.429	28622.06938	2070525.21	2465720.62	4866544.615	2214301.925	2472787.867	2147968.024	1757745.497	1399674.297	1819032.645	2197276.14	2333632.122	1464459.065	2604216.992	917420.0529	3400879.521	1722357.962	66056.0813	1891248.994	4213195.35	3797236.563	13796.46596	2587095.978	4082121.992	10587880.56	1794140.653	70015.59784	3319726.474	3540008.313	2272776.774	768916.5976	2098948.959	2478783.876	2407664.241	1069915.58	2282462.258	2301374.377	1914064.054	636307.9932	1570717.871	1635388.151	15215.85659	1483353.934	2717011.77	1274363.265	41160.66928	2269284.597	1437222.618	5628996.841	2304547.242	2513560.426	2261252.104	2871592.137	2813420.395	1274231.183	2473266.826	24979.79477	13522.14434	2849483.992	3374940.21	5459166.663	141008.2266	15615.31206	1216403.401	803358.7275	15359.24465	2353489.729	2417492.026	1626080.801	194349.8283	2163271.544	1333267.192	2151423.08	1420170.84	2752980.758	2676181.378	4872210.329	1210286.827	1905947.778	1931966.535	2608393.404	1400098.5	2377883.599	50417.17392	1674949.588	113054.578	1432963.608	2382320.787	156501.2632	29678.04377	2778906.926	15053.53945	1408171.761	5390819.191	24166.52933	2270495.652	2391275.19	280958.9974	19719.06485	1810593.404	2260667.939	2467746.509	13248.01782	2041830.204	1796217.371	2192935.171	11155.83961	1808709.737	1834451.571	2393842.176	13681.26372	2255096.628	176907.1033	14997.98669	13483.67676	2737215.53	31409.51537
C4 H7 N5 O4 S_8.195	5774213.311	8198724.352	8913536.203	3996432.012	3183268.633	3877360.776	3638396.37	4823181.481	4790296.458	3441373.584	3503111.47	3655390.596	4144659.136	3862440.046	3243147.676	2438814.051	3907433.472	2889899.603	3175067.802	5910701.42	2356322.447	1383906.275	1186397.032	1291712.289	2068703.021	1540098.307	1747425.58	1948919.805	2439690.499	3751097.127	3684179.325	3711068.246	3517017.181	5083427.916	3135996.123	2771131.01	3206582.865	4857747.624	3651158.937	2964251.28	3689873.253	4178538.087	5193939.208	2288901.347	3071527.929	2174344.301	6826323.105	5927047.683	3306603.778	4065934.865	5720333.708	4381987.924	5074502.375	4531671.739	5971514.725	4248734.9	3378525.837	2816152.254	3119841.262	4141951.688	4360605.848	3729374.458	4170932.176	4343768.232	4639945.772	2610752.439	1333888.978	2938820.78	4880195.318	3625013.156	4410342.566	5287392.421	3177264.662	6323708.154	5533254.212	4046047.462	2668812.719	4249775.891	6392857.064	3088694.21	3468058.505	3626233.685	4545543.515	3335925.11	2299068.41	5685033.65	4037105.249	4940578.701	5541664.282	4057426.678	4654848.227	3728390.596	6132253.291	3754269.581	6478327.163	3158110.214	4390274.423	4989714.072	3683962.756	3920571.959	4234821.084	4226930.788	833420.2484	1310754.503	1347542.511	1795861.774	1498485.21	1331951.654	2125801.281	1405997.696	1020253.315	1183516.769	8528.45103	3435567.188	4530726.534	4402157.356	9897.166862	3715614.89	3281762.866	4069513.104	12204.42775	3398075.999	3881367.25	4222743.734	12303.17272	3213699.002	4035768.639	4316262.378	13272.31786	4252344.289	4613602.334	3294403.17	18556.93544	2707175.913	4404612.445
C40 H66 N3 O10 P_2.185	141470167.4	122417564.4	83032630.01	83742519.84	59755023.81	79472876.88	68599621.26	101715701.9	126190983.7	71500780.97	67443979.61	155323639.3	100674485.1	68973535.28	140170391.2	96045078.14	129839361.2	88461066.4	86245079.44	129516674	48075783.11	23705375.75	25895087.36	26315225.55	21360885.98	37070055.3	27784087.33	43134898.03	31569135.01	35690782.91	61137881.09	106982945.1	66178122.23	110304220.4	115896120.3	84789458.8	60604532.46	72626224.66	99550955.5	63483871.05	69297950.72	85654179.69	138169594.5	98855522.82	83104134.74	77208612.33	111633201.6	91767826.13	72930760.79	80847994.48	121862883.8	79858583.19	130377950.6	78585394.21	79536129.98	118838968.2	56208608.17	89227985.37	84700049.07	85894659.82	122948956.6	119864489.6	156183716.2	93266276.14	87348876.83	52704827.36	116320365.9	65123295.57	85690411.59	74821489.9	93392643.86	73562022.36	60221498.85	127905164.7	83165007.04	72534745.11	80148342.31	125216056.9	164653780.9	65126449.19	88186342.13	86816807.1	120561185.8	85018880.59	22762174.05	100062607.9	73511466.63	70724888.31	76463585.3	66397603.65	81293396.05	69860601.97	121956232.6	86024198.67	120295412.9	79468167.6	111823523	116493032.5	93662547.89	88022540.67	126511993.4	70282519.49	28260839.7	26913038.38	21507264.01	42932510.8	24290401.53	61007362.16	48230739.83	42753160.5	23684907.18	30907586.58	222525.7555	85104991.3	84306586.25	83696181.8	224872.4723	77527234	80025213.72	89503118	837927.0874	92149160.46	83246477.83	88650150.57	129487.3464	78460043.47	84920882.55	91303470.76	528560.2442	48066507.51	101929199.6	100216515.9	75606.68356	77961554.37	76920995.47
C40 H76 N4 S2_2.39	483891.1517	346720.0967	487171.8541	164408.6059	344738.9274	438331.2707	416045.6149	350045.9913	309949.5209	468496.0647	370320.6779	224057.8465	401405.5786	248216.8021	392820.5177	400414.6974	288057.5677	417048.4262	481549.7781	216870.3051	1025329.961	1138478.335	1713490.029	1301683.511	1250398.697	884275.4318	1662553.915	972349.5279	2255427.1	1391685.597	242003.1639	377406.6623	354896.6371	404892.9404	543452.083	520345.095	471045.9358	365945.568	323761.192	351667.0298	459868.3715	612279.7565	606985.9017	712261.919	278731.4308	463821.2756	266052.2154	255777.9324	400493.9246	413836.2764	431785.7993	357971.3277	489474.7909	412236.1825	371335.1714	303044.482	343164.5106	337197.6521	491567.1022	322456.3128	249160.9199	213893.6555	426645.6345	486504.6322	321227.2725	241715.2424	213944.612	305968.4574	342618.9573	270680.0073	396788.4378	464904.4667	254255.4387	358132.5197	540395.7662	332821.2873	245877.9646	259873.6104	276109.0063	295663.0181	406950.9683	295934.2454	322367.9675	408660.0555	290366.003	321650.305	325434.9232	349067.2953	405409.1747	313712.8805	363182.2551	502231.1949	541059.8719	279111.1132	371867.4275	354617.5951	205369.0461	225357.0677	351732.0329	381883.3105	299480.1045	348707.1958	2178919.249	1758454.463	1456009.81	1768428.198	2300275.529	1827638.164	1848707.13	2605356.323	2807839.28	2857781.305	8822.408108	547683.7522	552950.247	604073.7855	8203.91336	536313.3573	549298.2368	641546.2372	7434.445822	560199.8086	519250.6144	689843.6112	7956.662031	406711.7521	610325.5039	573445.8874	9553.467441	518034.2743	519939.4315	589483.4191	8873.250464	564058.7828	579200.6029
C40 H79 N O12 P2_2.185	133984501.2	116562520.3	84262803.72	81470773.84	53997959.07	77588451.45	64341487.34	92177788.3	123639955.6	67050455.66	63737836.61	154784665.7	103266637.5	75721977.78	145640875	88432303.01	131863974.4	92979658.32	92783968.23	126847561.1	62071164.41	30237072.59	35097917.86	33823850.28	27007229.87	46644195.68	32398228.21	54342642.21	40246486.6	43519347.02	55195742.75	102102944.9	63784422.57	104330190.7	106900240.1	82707883.66	59062107.14	72969524.45	95738904.27	60389388.68	65710828.59	83282281.47	135774652	97729906.83	83270637.3	74099903.15	111075594.8	89548484.7	72117018.75	71872681.96	119577514.7	75987549.95	125174520.6	74372830.91	76069242.37	108169896.5	33194340.83	90133756.39	90447380.32	85641667.97	116641782.9	119464880.5	153396677.8	93179250.37	116055770.9	50209033.68	108459574.6	62806413.29	87957548.34	74874421.48	94181742.16	68288667.7	58288339.37	121377940.7	76904526.39	68342646.12	79090442.52	122828853	162418461.4	69158698.57	90787019.26	81808662.15	114264117.9	86508813.39	64490095.59	98613031.07	69164239.27	69372899.36	75109363.11	61665268.15	75771161.34	70444258.23	111767243.8	80952001.37	112814564	84407578.15	117063886.1	116344505.3	98874810.66	89415182.79	126701472.3	71010354.99	36116798.97	35469465.62	29141793.91	54926321.31	33103367.51	77158872.01	57501442.02	53402411.2	31218386.49	34428654.26	39677.40837	88107403.6	81472565.87	84645758.09	71364.70906	79127919.03	81102811.84	91865668.59	60304.3976	92753268.18	82758887.04	89303721.58	48083.62045	79255685.51	84835234.17	89069000.48	63342.52745	53253198.83	105794599.8	101691384.3	50084.6596	75617636.53	77592044.05
C41 H77 N5 O17_2.183	115377743.3	98366669.34	72391305.68	70154838.74	45303138.11	58564409.16	27359972.36	78842111.99	96636325.28	55779536.28	53980307.62	135338242.2	90902176.28	63389931.89	133877331.5	81680288.56	125425370.7	81927172.68	77639785.23	107820383	79176498.61	38768209.82	48525236.61	43656926.04	29532152.48	56855711.29	42287744.63	65756164.31	48980759.29	55841632.13	49050725.12	82166866.05	56069881.4	93083081.58	85585616.87	62873915.88	45111631.13	51073347.72	77222843.51	51015176.83	51038540.41	81761280.07	128526101	90356523.68	68313501.35	63743785.3	95973399.48	73766813.91	60856362.35	66950326.16	99082616.31	64349984.26	95265457.98	62320220.27	61593331.23	84052636.85	40895458.98	84881318.07	81374123.33	82302477.44	110242835	102268493.2	132144000.7	77014834.18	96722148.98	43990358.22	93976979.12	53059124.69	75075011.57	60890439.34	72484141.18	55458142.99	48095222.76	96476887.92	63387893.75	58194122.31	75430117.02	112795321.8	83456509.73	64508378.8	84262980.91	80347938.72	104225697.4	75859922.78	53702035.26	87181235.65	57760645.7	55362310.44	59862156.66	51019246.83	59191518.08	59617787.73	95328533.39	66061313.15	93744371.23	83249541.14	106856348.1	103825679.2	87819763.44	77020898.95	108143925.9	62894977.87	42888433.85	40336015.62	36425416.88	67881877.51	40704188.64	93524802.08	71756101.49	61697929.26	41367555.39	39272532.98	46763.92539	80575499.87	75030166.98	79114835.37	46969.40458	70509644.29	76024599.68	82956478.16	30665.64624	84700323.26	76949394.88	79472893.33	35724.21577	67543965.46	77599337.72	73392963.44	38463.5454	74667087.57	90793971.32	86572270.56	52885.20356	69316495.79	72793752.08
C41 H81 N4 O12 P S_2.18	131714419.3	116593877.6	81478869.79	83826023.51	67069722.57	84104132.67	69416362.6	95523809.6	125661008.8	67746831.17	66712902.44	160947515.7	101857623.3	79989406.44	147942604.7	94714091.62	145402034.9	101081125.2	101477424.8	147530588	70930220.93	39047105.19	47447657.95	44032698.24	36557554.62	60934876.81	48323401.76	70365655.42	53771828.63	58826622.18	58348652.82	105274565.2	62180227.85	116269624.4	116451148	89263623.49	59780694.66	66627509.08	90507606.77	63184271.35	67463529.96	89061539.27	152415611	109135520	91179224.25	77650464.32	113279280.6	90603891.76	70669319.67	77276523.55	123169669	84632438.6	134276388.2	78509167.57	80570699.01	119783766.7	27551246.45	100018963.3	94995884.87	95664522.23	136673284.3	136750001.5	180308142.5	103139502.6	128854633.8	54857546.48	114819421.2	63656694.55	95543866.92	74772266.84	97705022.56	73105570.24	61254072.21	127251357.4	34573546.17	73549167.79	78060382.52	132140488.6	79173544.33	72952539.87	99876504.53	93842211.98	133039757.6	95056743.39	66144505.38	104769130.1	72650884.4	70531338.59	79520501.51	71540656.15	90075982.71	76502893.55	123485510.2	86889638.91	112510275.5	88163205.99	126901096.4	128700385	107889869	105709312.8	145753065.2	76423776.01	42565229.81	44392671.04	36163459.21	70349800.58	41629538	99054343.41	33806929.75	68526172.33	41859351.84	42525542.39	22000.61135	94539922.91	87198029.52	92386983.5	30977.06073	85377069.62	93446106.77	97230794.42	40418.86214	98421199.96	94786903.18	98241156.19	20937.51015	75740737.37	96811577.77	102643954	23095.76797	44289710.57	117873715.9	109931195.7	27160.9337	83330699.37	84463483
C41 H82 N3 O12 P S_2.181	81949902.92	73032004.41	46667792.57	49629626.99	34225996.46	46711378.35	36655942.11	58262227.06	78572451.81	44241909	41092408.49	95699563.99	65527111.08	48669689.81	92648450.86	57143567.37	90578831.46	60133108.89	60314190.11	81113661.41	47446094.87	24425787.42	27526733.16	28306726.21	21770253.85	35094017.97	28212911.02	41430602.92	33846175.07	34242325.43	35845232.94	60502918	39755454.58	30731609.3	67464429.62	50120630.59	34010855.91	44673161	58461278.74	38743863.18	41711906.02	58113966.27	91018484.9	64077987.31	52545856.12	48057609.98	72330559.61	54499735.79	42260300.74	45920612.67	73681029.3	46996490.34	75876465.06	46572722.16	47049887.16	66680164.07	34141968.84	55325739.13	57356040.45	56562392.22	74958582.89	81701307.61	98979024.4	58645591.16	74343829.83	31062391.67	67038847.19	39773540.36	54139453.44	45608795.58	57131044.22	39872485.4	33884630.52	68082069.21	47337221.69	44410674.72	52302543.49	77879105.78	103763413.3	46534147.85	59297979.14	54670620.23	75564190.38	54430556.53	39565274.98	61556236.72	43377764.93	43098544.4	46093427.03	39798547.79	47449013.59	43487744.46	69827554.72	50072214.84	72971281.27	53307965.56	77105827.74	76022069.96	64193064.12	57182816.89	79975414.57	48176733.97	27872983.4	27250614.19	24150556.81	43318265.43	26482800.68	58779815.62	44502861.54	39144194.59	25735960.75	26070203.66	45031.57315	57275797.37	53353892.26	55743275.01	32549.29865	50251321.67	54615877.49	59908584.59	43848.49391	60478200.66	53313841.76	58715641.2	32595.50492	48735457.73	52383105.71	56883063.71	36090.02112	50734763.59	58836398.79	64780703.76	48164.39965	51447013.16	50935046.01
C42 H76 N4 O5_2.401	1351049.003	1293238.881	2041018.644	998590.5611	1251631.767	1797316.084	1702863.879	1222640.016	920137.8073	1821486.185	1715408.101	915990.4036	1934975.064	1074626.602	1384005.327	1440401.73	1187975.202	1500357.388	2406184.569	1018530.698	846740.7595	1463613.702	1974668.171	1581426.345	1545881.011	1207264.215	1995769.258	1043205.213	3081727.629	1524414.165	1055402.609	1160723.289	1893662.086	1775792.749	1407313.602	1988948.806	1687191.062	1383022.228	1438002.576	1502754.14	1755924.06	2099544.673	718346.8094	1297591.641	598713.4377	1544954.648	1141210.524	1303555.425	1947521.354	2152710.716	1647976.847	1350417.736	1459179.47	2177930.401	1916079.538	1662345.754	1589082.207	1431456.872	1546082.331	1572522.727	1118748.347	1042242.465	1491462.787	2466927.471	2031318.865	1232345.951	1191515.371	1287908.474	1302550.945	1830096.464	1582621.196	1680882.74	779703.4622	659731.6087	2143765.29	1668623.755	1365265.126	1132087.833	849385.2932	1199651.718	1442736.032	1681545.208	1410899.285	1505639.549	1058919	1176299.737	1571269.384	1724002.016	1743360.95	1343363.168	1860512.244	2088317.611	1402967.178	1118497.631	2122259.718	1065206.182	1622375.982	1221659.841	1822590.3	1100564.358	1270708.93	1625883.646	1091407.928	1568288.166	1160922.088	1512091.595	1400766.535	1156865.269	1396471.458	1606488.076	1573967.622	2480417.396	9713.369663	1309723.918	1301467.358	1420244.333	8628.832843	1260019.739	1286147.486	1442478.726	7843.918797	1174375.717	1348114.74	1661325.694	8157.691847	1195718.111	1272503.726	1285710.721	10046.50897	1128812.2	1255189.609	1581071.722	9168.870284	1144805.412	1386442.173
C42 H83 N3 O7 S_2.124	5728824.81	4090844.642	6452660.224	2386617.828	3603998.47	4300695.066	4654161.973	4181376.435	3579179.976	5499640.671	5488792.982	2681563.675	5723678.756	5197679.196	5387974.107	5676964.349	4196347.111	4335183.096	4920062.202	3000926.816	3767464.603	4114172.496	4025438.191	4337387.711	5293979.814	3049898.395	4610952.982	3417827.779	5102358.543	5070871.42	4403670.018	6431725.126	5419293.766	6081051.191	5395775.266	5755868.225	5448408.994	4392164.136	4484373.9	3498614.221	5634833.587	5663533.263	3329313.017	4877948.739	2345598.607	4596172.721	5081286.547	3490835.878	6127231.33	6475425.191	4812293.828	4207062.192	5749416.949	6749995.14	5300853.043	4678235.029	5406514.235	5258521.858	6234508.534	4663121.263	4218619.984	4289074.544	5141166.463	5727736.866	5097695.878	3788185.866	4033613.544	4271295.213	4357320.357	5873501.871	5130551.599	4712698.873	2606436.843	3730189.986	5926825.02	5432918.748	4016960.829	4120896.406	3566277.526	2637285.963	4905552.289	5034916.816	4748632.274	4556557.777	4147045.518	3483421.921	5143445.892	5740745.856	6402289.375	4533434.634	5034606.328	6117669.131	4607303.163	4034294.329	5306922.711	3528110.986	5120635.825	3870781.703	5361343.567	3490290.185	3511395.004	4352878.301	4739841.052	5864770.764	4330115.143	5675944.748	5332314.233	4936366.711	6089696.125	6009707.406	6967158.793	7964958.513	19182.38733	3888589.545	4253449.447	4308111.301	17280.57166	4200462.911	3986872.392	3424161.24	14502.80125	4833410.983	4248995.61	4322641.429	16216.0815	3512236.893	4949510.05	3638901.039	26094.85734	3662445.271	3843462.298	5247072.18	32893.66385	3889339.915	3803510.82
C42 H88 N10 O P2_2.33	3656206.876	3189598.874	5383851.635	2176276.535	2258345.147	3011824.44	2922736.718	2450157.132	1804552.302	3996645.498	3960642.507	1711500.783	4391960.925	3090596.652	4136140.567	4403907.452	2584756.941	3374429.217	3828231.74	2437085.181	2724750.584	4303364.057	4837902.081	3567617.445	4191753.474	2076329.59	3795345.011	2652946.7	6740597.469	4661105.561	2767768.107	4144579.299	3904042.861	5343090.395	3545900.153	4565662.312	4157497.222	2154546.345	3673788.934	2552581.608	4052350.978	5704005.413	1609026.067	3108838.473	1576477.401	3419602.753	2903309.41	3383018.422	4705296.151	4034462.553	3620285.56	2473462.572	4246496.518	4965235.233	3750251.566	4120944.891	3586147.955	3555686.523	4386775.246	4563956.427	2321893.089	2777863.839	3788029.199	5712679.816	4032981.372	3455326.73	1955594.458	2638230.822	2860540.901	3708567.721	3556080.773	3359807.788	1085974.418	2235071.628	3939432.385	4105522.831	2817336.818	2131617.242	1949457.692	2863727.69	3362511.238	3411249.405	2916148.21	3272282.985	2130546.551	3088510.277	3991280.825	4442197.208	4916474.03	2766097.125	4535143.436	4549535.969	3543591.139	2220444.48	4559453.483	2370203.399	3956370.995	2604529.395	3578399.821	1915286.559	2089749.439	3058236.805	2524694.248	4314758.865	2662734.027	3479154.89	3777165.665	2947736.541	3764564.865	4474300.692	4424045.793	5393218.904	21441.04518	2758387.469	2633735.617	2940964.021	17797.5349	2617532.466	2587346.311	2917931.293	14022.42226	2734589.777	2548318.207	3832959.799	17724.77703	2199623.612	2399366.335	2397051.017	26139.48544	2899143.715	2614299.687	3270192.347	23943.99804	2461056.169	2718203.088
C43 H82 N6 O9 P2_2.183	78314646.21	69836763.25	44359577.94	47761038.38	32676413.01	44492484.79	35111600.47	56055782.75	75451431.91	41869051.37	39113940.86	91826314.95	62505235.46	46670901.01	88262302	54663706.92	86732971.68	57773792.28	57669741.19	77911235.65	45433749.48	23303467.15	26384964.85	27150791.01	20904800.97	33403109	27011315.58	39558382.61	32189399.98	32644412.42	34300530.57	57746889.83	38181786.84	27912604.26	64632235.82	48054522.78	32478974.89	42695677.05	55520270.4	37005126.87	39983871.84	55581453.95	87415314.64	61404536.39	48807846.33	45983118.28	69531669.36	52109837.8	40448725.08	43982490.7	70458535.96	44627116.09	72826688.42	44346885.31	44764382.99	63778180.62	32393532.46	52932875.16	54900690.91	53768397.43	71543563.01	78108169.18	94721068.92	55877785.9	70667942.93	29751572.92	64220684.71	38272144.53	51579983.15	43818908.78	54815836.54	38087890.04	32393657.04	64235494.66	45279529.89	42712614.64	50038540.17	74154031.36	99510995.7	44627269.18	56987428.6	51928550.19	71740403.84	52109442.77	37915664.14	58820221.24	41624431.9	41270922.34	43879463.81	38141314.62	45610650.28	41641309.61	67405574.66	48070440.09	68923177.9	50990314.93	73916702.38	72635316.36	61198663.85	54447930.44	76156149.49	45960919.4	26693353.44	26165715.83	23166383.6	41291736.3	25375498.48	55641744.06	42415139.45	37333810.67	24524485.49	24741420.03	28038.48558	54871816.59	51023113.49	53294793.74	18085.52445	47859221.71	52329364.87	57386594.96	32561.24231	58014998.98	51090937.23	56093430.49	20142.98321	46591188.38	50044873.06	54272857.08	20161.09573	48576825.46	56485832.18	61789413.12	27891.39693	49205765.58	48855793.9
C45 H55 N3 O5_2.195	3430651.646	2368150.45	1332092.322	2553803.931	1382045.351	1728883.391	1543311.347	1558283.122	1932528.661	1434674.442	1414657.765	4454263.383	1938486.281	1175095.499	3115473.753	1589962.225	2380942.507	1543950.548	1357471.823	1769786.118	421360.8244	287537.9589	275497.4885	246020.628	168138.5588	348425.6998	212170.366	318438.4444	345899.1012	220122.6118	1436304.992	2014686.343	1762552.88	2034419.547	2544151.709	2016820.066	1022027.094	1626712.712	2235729.45	1390668.354	1447838.226	1719337.891	2682765.439	1783713.876	1353138.887	1602386.665	3448655.647	2107602.564	1591147.964	2145988.977	2633860.089	1878658.724	3019113.582	1394164.522	1632585.429	1691792.528	1082913.024	1809567.216	1540493.633	1591204.521	2258581.461	1921201.933	2693901.508	1465115.196	1922709.098	1501988.965	3101968.996	1891275.72	1904218.7	1756827.266	1772435.644	1430444.01	1777307.743	2505665.147	1326632.806	1581501.177	2019701.237	2896676.482	3566968.369	1455998.971	1824147.552	1662150.723	1834837.066	1742735.171	2046493.885	2124657.734	1557927.982	1253829.503	1629515.509	1648985.476	1489770.994	1522072.843	1938074.268	1830626.497	2037905.722	1299196.025	2082667.86	2243089.914	1506697.388	1674287.274	2529308.187	1361013.905	419947.4941	465827.4165	254482.5568	335092.8109	181283.7342	563392.9696	416124.7135	333103.0528	188645.2025	235913.5094	25410.11681	1915867.704	1710418.918	1393819.983	18474.28788	1093984.208	1875982.434	2291147.471	11441.94491	1625842.89	1796988.246	1616237.504	11248.11153	1347318.158	1648906.757	1606306.22	12090.69269	1639653.166	1594573.677	1712514.443	11790.05657	1931134.529	1561282.941
C45 H84 N6 O11 P2_2.379	15685597.82	18375401.59	13656275.28	8078998.851	5157882.062	9113291.219	9825055.105	7342507.401	15248927.59	9892062.626	8987361.857	28576420.7	20344482.35	15454055.61	24718393.71	18473446.87	28785496.04	15776191.22	18210712.75	24471843.61	17420615.45	10651388.21	10519364.67	11047361.64	8762244.797	11742636.62	9029279.228	14632169.83	11728273.42	14525173.38	9005630.125	13382937.61	9758968.651	14610209.11	13236287.78	11696667.85	4400273.676	12037847.44	12396326.59	10579299.7	11385465.04	21164292.01	34152402.25	22274283.94	6521573.758	11007786.02	15203137.72	13666292.31	11158785.04	12293502.94	16347344.78	11884816.43	15735641.81	9863680.075	11404216.16	13923076.03	8902457.31	20197122.08	21046840.17	20279475.08	26455120.56	22053582.32	30022849	13327384.67	24163587.06	8674869.838	13776676.28	9794149.99	13410084.22	9478712.53	11216067.86	9567167.775	7981484.41	13932166.77	12291544.79	10287063.89	16704457.93	24226499.34	34241294.67	17817807.52	19576433.5	16748068.32	23042826.63	19525148.54	8138050.103	14801444.25	10568241.1	10995308.97	10110088.34	9416759.87	10473501.97	5155419.967	15797118.9	11442174.78	17361557.92	19524493.66	25395453.75	22102253.07	21698264.26	16474975.36	26142190.73	15913558.42	12741866.52	10144434.78	10639424.09	20346711.1	7747370.144	19894347.02	17418544.94	17468471.89	11989286.39	10638647.95	24553.44151	15640518.16	15382974.66	16862887.37	38960.89421	15150460.72	7873424.269	17629954.16	18138.80923	16704084.18	16311618.4	17057146.43	16533.23049	12498895.52	14735625.36	16710872.18	18727.75446	15741807.14	17404769.1	8890195.222	29028.85409	15054359.28	17682562.91
C45 H86 N6 O10 P2_2.182	43483203.85	39865117.17	29633426.64	26717757.14	18555535.12	24511395.04	19916765.04	31858635.88	38926588.02	21723540.24	22069976.63	53460397.6	36088276.83	27271876.14	52409325.94	34305169.55	51294706.17	34070153.68	32878250.72	20768264.16	30408153.74	15538366.7	16811420.32	17811951.9	12806866.67	23151530.88	17978571.63	27753427.24	17799717.95	21837629.41	19352656.51	34451856.88	16622301.61	37023277.27	31877691.65	26290319.85	17995938.43	24202224.84	30879362.68	19894285.75	21508865.5	28044876.11	49679814.94	37186270.77	26935272.23	25935133.47	37119138.73	30933668.76	23572225.94	26638084.95	43042934.61	26463391.59	39180984.86	24472308	25927274.58	33870831.48	17450673.24	33518840.09	33672151.55	33212131.98	42302682.36	41272081.24	50035266.07	32949361.75	40798007.69	16965734.06	38257502.6	20801111.34	28228147.9	22877907.49	30787082.55	20356787.27	18892528.76	39679105.45	23411778.33	21861848.66	27807227.76	43980850.13	58014998.83	25098278.23	34249927.24	30943687.32	41325551.92	30585596.91	21239827.32	34808580.16	24131264.71	23525348.07	25904835.78	21182449.1	24469062.4	22568656.14	38093391.86	26983662.44	37878189.37	31057553.47	43465754.71	44162653.74	37340401.52	33295641.42	43717096.48	25539459.8	17422123.56	19192914.18	15229811.66	27602150.9	17848098.64	37954572.52	27590030.62	25374043.4	17176783.89	16171925.07	35141.75163	32263629.05	29298376.53	30324554.79	18301.33684	27772100.64	30314631.04	34038812.11	14156.80483	32283858.82	30385442.44	32253060.84	15538.14866	25150930.04	29181862.87	31970386.42	19727.78625	29851648.72	34082611.6	34534830.1	25023.71071	26242298.92	29302448.82
C45 H91 N4 O15 P S_2.375	26736541.73	26711542.79	28506804.84	19538998.77	14772846.66	13485573.29	18487329.02	17426403.83	27555822.32	16241610.7	14414799.23	52473240.16	31552384.56	25721611.65	38499669.55	18527475.4	42839509.42	27013034.91	29730945.19	38826172.05	55337798.78	39510971.03	47307121.21	43036678.69	39940361.46	44172325.87	44963474.26	29799508.96	45391126.63	55109724.6	14275992.53	21135530.83	15255123.34	29044646.96	20319896.2	23208667.16	5963812.806	17355932.88	23889799.17	15100265.02	18339118.89	35730702.62	57326381.44	34380278.04	25883332.08	28526481.26	28262264.5	26635153.95	22451450.93	25134025.28	27116727.03	19486395.41	32253649.28	23111172.07	24464576.73	22825412.17	14427374.11	34754033.87	32884289.95	34325966.65	39071726.58	52058081.77	58291295.56	33241401	36780807.16	12739037.99	23589101.49	14673374	18834723.22	15432268.32	23923178.65	14540358.03	18958796.89	27100162.42	21181204.97	16244532.85	26201930.49	37159420.81	61598646.42	32052711.46	32475419.72	35190902.61	50746866.17	30513094.25	16446935.26	30918315.67	20655439.5	16994132.36	18559456.51	15212623.84	16301356.89	18355703.71	25137787.69	16931215.43	28602677.64	30431825.98	40851118.23	38046933.22	34912659.32	29354035.1	45559357.83	24495186.05	43380191.88	42458005.73	35722333.75	81488317.12	56772725.69	40610365.38	32554729.2	32161604.06	19634962.44	24561330.45	39966.09104	24857111.56	25497546.87	25428578.11	27198.1372	24087051.99	15257122.93	28375384.78	19595.23647	28123560.89	24727737	27428572.59	23324.28156	22746573.81	24986890.71	16432263.71	37122.52911	25464986.11	27645837.71	29540446.18	25083.97494	21635452.67	23112897.47
C47 H90 N6 O11 P2_2.182	20933488.24	17986607.74	13969068.37	13996260.73	9773494.815	12193430.93	10976661.45	15527954.21	19440846.69	10205266.97	10611044.69	26277995.23	18291326.81	13869185.68	25849141.68	18637288.38	26613853.51	17780848.22	17995713.08	21317141.66	16878312.94	9130486.005	9976395.923	9315276.581	8350121.169	13206987.27	9709976.207	15530015.72	10796085.03	12623241.38	9130239.353	17444446.79	13925552.5	18866853.16	17513631.7	12675187.86	9498473	10589342.97	11632264.42	9686127.94	9814420.7	15355296.01	19002514.96	18891008.34	13441699.16	13342641.63	17941589.71	13813421.35	11187679.73	13458896.72	20605240.11	12865241.6	20123797.29	8789914.958	13276922.53	17656956.96	8736989.372	17823779.08	18432917.25	15174481.79	22717130.38	22245544.56	28409960.69	17152383.14	21711070.33	8818504.845	17397513.71	9940710.85	15591867.36	12856869.44	15558349.46	10806928.68	9869740.135	19131547.67	12582789.36	11094867.22	14013420.46	22168656.73	28713875.46	12019163.71	16600590.71	16573983.71	21729780.96	15337731.88	10019641.39	16200083.29	12286660.51	12153662.87	12940170.86	10879776.19	13660476.55	9097649.416	18298724.44	13504969.2	18720914.65	16328030.62	22792902	22621758.77	19519969.3	17262959.07	22526932.51	12923336.94	8957768.253	9821034.048	8744906.309	16048247.82	10986868.81	20806083.06	15882638.02	14783915.63	9950217.022	9507542.778	19143.3458	16390417.95	14837295.73	14936249.85	17508.08423	14022097.72	15134178.41	16725756.65	13867.10404	17120890.04	15371735.64	14402663.77	16846.34098	14114249.13	14988446.2	16068080.13	19460.78123	14487498.93	17334915.91	17058916.65	24223.38711	13908147.65	14601228.22
C47 H97 N4 O15 P S_2.182	8356629.581	9457739.003	5466046.413	7288728.837	5096142.722	4706315.963	4818964.629	6886095.394	9087431.718	5604634.903	5440291.712	13165279.45	9049858.352	6893408.146	13234303.35	8880494.317	12962191.36	8606385.461	6673152.684	10377371.59	8173998.967	5168128.185	4895349.504	5206629.357	4908455.747	7227355.143	5218360.224	8595147.084	6352842.679	7174387.619	4860912.397	7980384.335	4409419.947	8958090.205	7802889.911	6069305.723	4464239.965	5162862.269	6398466.47	3962545.921	5973783.651	7090601.231	11071517.74	9209750.667	5971889.809	6739290.037	8891429.557	6882010.274	5281237.179	6396227.866	8072666.002	8326418.59	11456769.9	6378820.489	6194078.439	7295439.73	4307026.624	7437488.711	7804259.012	8438590.679	10724218.38	10736593.99	15344474.38	7850291.137	9882025.428	4173089.923	9052289.426	5464282.466	7649745.644	4780242.472	6995136.099	4292490.666	4429460.249	8527689.934	5993833.701	5745321.393	7374824.548	11458303.25	15046499	5926492.049	8723119.828	7723512.852	10627682.06	7316541.545	4377275.593	7170334.364	5273643.618	4532459.824	5774636.453	5304170.94	5535010.155	5973655.836	9581099.228	6724520.606	7513720.982	8165650.868	11166300.26	12079148.47	8613017.147	8412137.379	12161206.74	7316660.376	4989203.234	5394343.556	4313813.745	8314910.616	5537552.432	10988826.48	8030304.426	8465790.852	5072767.065	4701136.013	29410.10665	8553915.509	7394477.371	7373686.796	31304.8424	7953825.532	7081581.365	9434594.132	25713.78253	8447252.721	7772596.624	7946232.512	23560.0457	7140143.936	7578136.031	7839862.983	37585.48874	6816960.453	10494265.36	8856206.503	39280.08953	6630831.177	7327744.665
C48 H100 N3 O12 P3 S_2.369	10560660.64	12618654.2	9540701.088	8124140.133	5606138.683	7093808.859	6402485.368	8713901.127	9304897.872	6050198.934	6032989.989	21952849.57	16097934.46	12133070.19	18897325.84	14994696.21	19491547.24	13664323.62	14010463.47	18024283.42	15168193.24	10270771.55	11734248.79	10916481.17	9629926.129	12903610.74	11286595.16	15060057.88	12662894.14	13451228.01	6950329.68	9248119.398	6393029.289	10937695.51	10460429.25	7685772.403	5697323.393	7411074.679	7760870.056	7779897.852	6945993.303	17320166.72	26646919.95	16774673.84	10722231.79	14148313.41	11284498.63	10187424.97	8324165.387	8778881.677	12688852.92	8710931.578	11680116.36	7363945.076	8442498.222	9476265.466	6021149.668	15867132.43	15198984.2	15696425.51	17505195.63	19082212.65	21728750.21	17790114.33	16008053.22	5628567.196	8392825.796	6621427.616	8714069.548	6543642.952	10295350.57	6538518.054	5919996.692	9656745.945	8053019.244	6307855.763	13783752.63	18168181.22	21468142.44	13473377.4	14674372.35	12893645.03	17429765.61	13748058.01	6760265.209	11342451.38	7525563.174	8574202.603	7819759.345	7898625.695	7102264.509	7603102.883	11452672.95	7695199.325	10865952.3	13057338.37	18896410.57	16886903.52	15501781.45	16421879.83	17594255.86	12392825.61	13896312.86	11105692.51	10211477.41	18946362.88	11285106.66	22056251.22	17364429.47	17572313.13	12482537.8	14062052.13	25152.97247	12838933.29	12284286.6	13339611.8	22529.146	11673047.38	11347702.62	15366691.14	17407.78892	12597262.98	11691471.82	14468471.39	29319.34846	10793257.18	11204215.68	13656519.66	19529.27486	11923965.29	14295520.53	14262680.35	21444.65237	10854242.05	11908751.49
C49 H101 N4 O16 P S_2.178	4354109.89	3863418.387	3109110.481	3259101.413	2030025.751	2740470.174	2448964.174	3386708.394	2757065.597	2409862.927	2561395.881	6221854.693	4357500.555	3275430.674	4968276.925	4340156.179	4568660.186	4198568.722	4254892.508	4655581.661	4494104.475	2454338.043	2951678.002	2817221.373	2450631.02	3460972.981	2835592.737	4234228.66	3185076.68	3560370.038	2292423.457	4113116.511	2724053.68	4062811.294	4201128.057	2633109.971	2233285.6	2835503.477	3533007.331	2417113.339	2769392.297	3704924.202	4528194.278	4118437.344	3431511.726	3134292.916	4345545.606	3634611.094	2594135.646	2937190.07	4535329.219	2836861.314	4507890.492	2773172.191	2806213.924	4092203.886	2239921.049	4254010.739	3839509.217	3903002.516	4747364.278	3686609.438	5792941.143	4452240.456	5094759.559	2013411.432	4317795.42	2442680.568	3443262.483	2893945.865	3660971.545	2366561.267	2202975.541	4245648.279	3079678.764	2618495.37	3788012.339	3708379.256	7128916.684	2839483.696	4508142.971	4147005.88	4555531.532	3646962.958	3435825.329	4006405.172	2683924.813	2893029.24	2877012.099	2435258.147	2871893.543	2913793.471	3977618.577	3328436.222	4386159.442	4024644.871	6901149.426	4809550.779	4521324.245	4060332.792	5223546.573	3359980.064	2796525.626	2830609.225	2623422.211	4583163.567	2680288.565	5810524.632	4348543.723	3858676.478	2622144.561	2586927.883	20589.71228	4173689.467	3638750.501	3957866.112	39631.80721	3651712.566	3809475.995	4392752.134	19082.92849	4183227.634	3801540.261	4084356.332	14735.74707	3514408.99	3693345.93	4011817.117	28180.60305	3886628.657	4131854.122	4611985.961	32013.25793	3467116.042	3696239.905
C49 H97 N4 O16 P S_2.177	23116161.07	21306376.12	15683424.58	15114929.39	9460018.591	11989460.92	10418254.06	17583269.12	21643722.82	12583250.8	11062146.17	31107468.57	18068019.59	18433257.48	31948773.8	19388982.91	30612186.33	19040279.32	19755177.22	21845946.41	23290455.27	12479600.62	14382113.7	12846040.6	10749021.74	16594592.1	13149326.88	20852029.67	16031823.55	14858685.87	10628384.97	17609478.99	10776203.31	19420982.52	19360670.21	11483602.35	9237401.709	11333698.42	18159161.8	10846409.97	12329615.49	18099018.18	30717251.75	20824463.02	16275042.74	16115565.37	20853152.93	15828370.65	12190720.12	13170373	23003375.01	14420753.51	24219653.4	12009862.24	12569458.96	19705820.36	10751200.69	21813257.07	20256236.6	19195134.75	25837028.57	25451443	32155026.57	17936212.43	25021900.34	9111340.528	20698585.98	11770117.64	17554926.58	15264632.69	15285160.76	13571942.63	11416168.34	20221163.91	13689081.91	12098033.99	15283153.13	26556774.49	33304278.81	15057797.72	20326339.13	19076169.39	25913931.92	17533671.75	10821709.97	20277081.08	12441420	12197300.25	13533989.74	11157276.92	12763612.83	10531320.49	20261064.34	15590265.47	23203319.86	16130024.66	24665895.16	26141804.35	22738823.58	19068439.18	28252683.63	15012454.25	12952688.48	12814042.54	11182628.56	21522860.85	12885402.78	27585601.45	19988211.63	18468010.95	12798879.21	10475551.14	22773.1138	18862663.03	18014897.64	17401076.18	20451.03617	15471628.63	17957841.64	20183136.63	18779.47496	18625291.39	18148152	19370137.09	17403.13942	14733300.93	18018774.9	16948510.61	22355.61197	17451096.89	19253610.3	22574436.95	27928.13599	15221238.38	16467783.14
C5 H11 N4 O10 P S_13.357	103989.3808	18947.85309	18998.19506	2523476.291	1117086.12	4444503.054	6738.001139	1198840.555	7682344.806	1206866.974	1762163.489	2861763662	347977.5333	29253.45561	2421176.061	2016822.626	3312044.206	968959.0651	2247762.866	6505.212967	21265.02649	15681.15816	7874.861742	2332966.331	2799592.701	1794112.251	6735.456177	1251353.454	5387.118925	1383720.321	1430177.452	3724909.941	817692.3236	5209013.788	6602.70356	1088295.708	1257341.625	4789465.409	3898856.079	2544586.966	1732096.995	150792.7982	22666.48069	1854627.657	3960606.295	3108076.504	410136.5377	61409.25971	54301.06142	2581980.178	3368265.721	6863.366368	684875.414	2778200.77	2244280.372	2588050.513	5512.520237	8225.618225	1740977.258	2293753.446	1519299.243	3262677.255	1016480.692	1287809.892	1434135.072	13444.26236	10950.80678	2790640.372	3095409.068	2773147.272	3285800.183	2748642.817	6298.850432	8284.985662	891072.8295	2658366.461	106827.0964	7839233.94	11099961.54	1961335.209	2360151.353	6214.36052	4071125.2	989130.5825	39715157.41	21201.26099	1620804.191	2133476.789	6404.010486	7106.533636	1994230.706	761900.5764	1858016.548	2612303.789	5698336.61	18902.58088	8562.980395	1815435.959	2423625.993	1375915.053	2814618.605	1274406.897	284656.5638	2346492.492	9860.977836	2635510.335	7233.64806	1424346.462	3477104.935	5950.719654	7324.401244	6176760.596	63670.59276	72835.28146	124377.2287	1586175.436	17055.2936	16712.24966	2897871.3	2868107.558	9005.59591	2252624.216	7471.049324	7786.620977	7341.7376	1521119.243	2180616.379	2593235.865	8056.791384	1930765.591	2062622.171	1469160.334	5204.587648	2593647.446	2396029.639
C5 H11 N7 O2 S_7.964	4350122.171	3664028.354	4508412.422	3996715.732	3065160.837	2518337.933	3998648.457	5144579.046	7312841.38	2899892.586	2912494.522	4180751.358	2636460.191	2474483.695	4513754.994	3832704.651	4266079.223	2810499.946	4739752.453	5577562.111	3519624.935	6601131.711	4823294.352	3975991.487	4533215.749	3056931.914	5064891.744	5338258.354	5620672.064	7939800.994	3054793.013	6543702.334	5721074.947	6033124.655	5127169.428	3680809.332	5184633.569	5495483.576	5343003.374	4150483.92	5129497.926	3287084.942	4677020.597	5297768.901	3960758.47	4050501.218	6704197.59	3700825.171	2399486.838	3773098.366	4476657.904	3215361.118	3885870.281	3778813.905	4314194.055	3649729.751	3489082.403	5227988.993	4039529.648	4203465.521	5045917.122	4100786.362	3264602.675	5564894.51	4987792.949	4914842.181	6790645.912	5536743.156	4029767.598	4085178.165	4148578.625	3435869.942	3611099.574	3816032.157	4334744.301	4111596.828	4439780.889	5643502.063	5458982.987	5819882.164	5191201.498	3815605.697	6891557.493	5013897.079	2968561.009	3885530.461	4933518.1	4202652.041	4539288.08	4258593.03	4813433.701	4000164.5	4138321.524	988992.86	4171190.46	3087850.279	5566491.576	3072380.183	3960708.828	4134724.214	4095308.478	3365558.561	5531418.205	5803737.533	6182194.955	8358314.513	6326947.226	3494805.482	8405453.392	6410662.152	6564372.427	5897035.531	437782.3682	4973293.902	3796725.973	3794447.487	246345.2556	3213240.481	5604672.142	4096436.481	374866.9035	5479276.121	4565361.924	4720503.206	75115.6724	4435761.538	2717358.037	3910773.758	463279.215	4365003.791	6459293.646	3460433.959	964310.0129	3903712.311	4606967.309
C5 H15 N7 O5 S2_7.934	10845.25847	12008.70307	11084.37481	19134.59199	20187.8331	16193.41493	20648.29058	32712.68104	37980.67613	47130.45519	49876.70771	9607.818554	7950.683986	8931.962715	11283.12042	11386.30574	21423.59323	17352.88322	24666.65493	29789.05361	11467.32519	12314.40002	21838.85891	16412.4143	21364.16132	15002.1986	19309.022	20630.5094	22395.25045	24691.43693	1165835.604	812767.8914	1054911.789	1545870.026	1312894.315	1325313.625	1876480.95	865501.5061	743283.3397	1322971.557	1570706.524	3991566.795	1677943.942	3210153.197	3582287.203	3410280.7	10512.09135	24397.58776	16383.79496	13803.44044	26557.54788	25021.58811	24481.64199	24274.87776	23812.60205	35460.12199	21169.96857	18917.08225	31931.59462	25929.94403	44012.41772	71899.22552	109480.1746	85231.07697	65861.11876	11888.39139	16252.1621	15471.04459	24394.59557	22528.60451	24153.58149	29623.27365	27666.24185	51879.95003	54209.91872	52303.70595	61231.16697	55891.58229	50652.57377	15866.0426	18939.62859	68866.72629	67732.37101	25901.17377	33655.42411	36681.24734	30650.63494	21557.01107	45245.35298	35726.51568	38830.19497	22648.65208	32181.83139	48716.09261	73213.20886	92231.76819	25971.87652	55354.41247	84128.66807	69007.70097	40273.83001	136744.2239	1780097.595	844922.7935	1297997.466	1655239.286	2691207.445	890983.2043	2287941.677	2043362.146	1634169.237	1359925.691	2580.153566	790543.0627	945715.274	761585.5248	3844.225897	850873.3441	605441.278	730706.8397	6165.624884	721470.6889	870518.2049	747175.6142	6926.726988	845490.3055	817874.964	793890.4204	7841.637263	1048376.376	1234309.224	436534.2766	13204.1926	440742.7628	978816.045
C5 H2 Cl2 O S3_12.833	17611577.48	21901263.8	20450556.51	14406333.8	14408390.08	3906211.238	20624650.35	25438413.48	9588403.297	42151.98843	49852.82826	22236.95908	19460465.71	6912918.168	13265843.42	15548748.93	18847986.99	13863901.34	30002816.46	21478554.51	15704924.71	16738775.58	16864612.22	17910200.52	16052237.42	24046.52364	19101081.26	18596735.29	19778316.48	22295789.03	9978419.173	15878912.25	13924953.51	25692379.96	18489470.68	23203527.63	11686154.92	28700651.87	3905942.317	126988.7614	50889.19945	18933417.94	31441202.79	23704.46592	21741254.06	853046.937	21453557.71	18001169.8	10471537.79	18322365.41	23228722.41	11346854.33	11147307.26	16882580.67	17272829.45	13881835.06	10422754.34	14073924.17	12900461.88	25197.17565	16549258.21	17978871.85	11068071.84	1719589.698	18144082.03	14777387.45	21951374.14	2649582.585	18273294.16	21118595.05	1541760.595	17689424.26	14808811.84	22174.41635	2658378.696	36466.08292	15700984.02	22049.89828	22563.07	23412.98638	24671.42527	14806924.49	22075.23807	26806.73484	18289632.18	20788140.13	16113555.55	16683665.28	15263403.78	24062.30072	1139310.923	11303457.43	26816.31627	29176.27944	19659393.63	15828851.11	17531245.94	17787386.29	16574495.35	16577612.5	20188619.42	13190832.89	14563245.84	17878368.12	13974894.69	27123.92436	16698099.3	14609956.98	10373116.54	19854.18176	31889.1608	31345.45127	18710.49258	18061960.47	18747842.86	19448300.51	23386.7794	13016130.33	18540796.73	19094194.86	25211.35468	19638125.61	19366542.63	25201391.65	23333.11757	177892.0715	24597.21403	21894149.49	23486.06029	22453927.61	26899.64297	32318.52503	28348.6776	22822479.73	3305055.687
C5 H2 Cl2 O S3_13.101	18799198.21	23234189.26	21678816.83	15033993.62	13448234.64	13923740.87	19741437.31	23098335.75	8623748.112	16256865.91	20094116.16	24302676.49	20764942.85	7356496.525	13965636.77	16348392.73	18777772.44	13054541.7	30505375.03	20307559.74	16672509.31	17662324.61	17213359.23	18229471.07	15219594.63	14382420.76	18263687.81	17847389.71	18631415.01	20812961.69	10624136.92	16478491.3	14389921.49	24827005.92	17705853.98	22308292.57	11225058.81	23768865.13	19396936.45	20288096.05	19297157.64	20217476.94	37683580.16	18425123.97	20191096.16	22645419.01	22939016.47	19200271.58	11164469.86	19182954.31	22359008.77	10543450.37	10317699.04	15766761.66	17074633.83	13250495.9	10020396.2	14476658.66	13202701.66	18600894.44	15807523.91	16756318.3	10478090.94	19545913.92	16843097.86	16713089.71	23049477.95	16081872.69	22271164.12	19952683.11	15737337.1	17916201.29	13860071.94	20660129.43	21367943.24	29626104.06	22381.86994	26122427.07	24985804.37	18195931.92	17653830.71	13698975.68	21156771.67	15591685.79	19536823.59	22083520.75	15876170.26	16375119.63	14120906.01	12669077.33	18259141.26	10835318.44	20836471.64	22304904.73	25878269.22	16765993.15	18075693	18335566.14	15772256.9	15163164.79	18981321.25	12078001.19	15566650.25	18746146.59	14558043.69	15058758.78	16692486.81	16612229.9	9608862.989	13028452.92	14748717.44	20223208.58	25468.2815	19324592.83	19979784.21	20581981.11	29563.78469	13748664.52	19278596.23	19319492.7	27537.15996	19634341.88	18569471.7	24670378.65	25111.07965	11839228.47	16873806.55	20993690.56	27556.71581	21570710.1	24978805.8	10362205.97	28432.45797	16986397.6	21062686.31
C5 H6 Cl N6 O4 P3 S3_13	3310385.627	3372796.704	3607242.763	39307.50057	1947494.875	45447.16452	54991.71268	3003079.307	16054.0209	2168831.118	2462941.591	4750644.155	3018262.554	1178956.076	2346763.652	1978949.654	3487261.252	2176467.736	4020563.361	4564901.499	2609084.111	3762386.449	3191166.133	2825648.045	3706467.39	3060373.568	2928562.693	2600799.057	2690235.649	3368428.817	1174853.914	3476503.019	1685733.697	5220682.792	3070596.559	3174831.842	2309107.923	3490970.611	3716540.2	3274785.413	11589.97553	4253659.757	7515006.184	3082207.745	1452558.957	11220.84713	4043541.774	2549862.487	1141186.718	2879907.308	4179287.074	3330233.85	1883972.12	880868.7393	3194454.62	2600190.173	1402904.038	2309610.053	2526945.413	17773.84382	37498.54395	3868919.905	1990302.95	3209134.524	2673735.699	1810401.514	4854514.088	3349258.862	3791961.194	858139.4299	46558.66648	3722215.721	2337507.596	3834463.851	2926852.896	2259284.833	3352432.03	3515309.551	5333634.064	16542.49786	882662.4952	2107396.32	15992.63242	16743.83772	2943537.289	2667821.987	2849626.694	3207136.99	3017976.909	2372046.703	3831257.307	2059072.485	3929680.885	11849.40105	669993.5216	1657475.269	2807375.103	2897288.312	4343498.759	1972674.258	556612.5651	2608378.914	2174086.543	2600047.938	2364104.963	3317007.043	2522032.838	810298.121	3737960.169	2148768.04	2257789.693	4126369.094	18149.28937	2979152.823	2611202.494	3206823.279	17062.86205	2003933.487	2986681.834	3616050.686	15573.27268	2991832.748	3146219.617	3593244.012	14673.53896	157379.6103	3120654.091	4007387.124	15968.91621	4024092.004	474350.3079	14018.05545	12494.1268	3302928.87	3043219.336
C5 H6 Cl O8 P3 S_13.066	17644200.01	15953467.84	17342882.4	13441212.21	9489269.834	17943797.66	14478955.89	14943530.18	25427468.5	11643257.18	9757606.891	21271488.88	13052452.72	5544882.571	12037141.03	10457941.23	16098126.02	10438891.25	17833149.07	11716412.52	9549688.605	16321697.15	16195359.66	15228498.18	15260832.54	13961078.3	12916329.84	12867896.93	13042935.77	15877952.01	8712557.269	16633085.32	8561822.651	22485447.1	13833059.91	12120693.91	10119011.92	18392175.33	18860228.73	10844931.29	13760002.93	19358600.01	32280326.33	9817542.647	20701957.12	8850944.557	19771820.47	13191399.24	4152020.094	13158243.74	16833823.49	9289040.124	8393579.82	17440497.92	15207425.83	12970217.29	6627124.891	11722783.33	12448856.07	58897.04809	12807241.51	14764918.65	9444596.325	14809924.6	13210955.93	9400959.382	29486536.12	11456022.81	15754375.3	18141137.32	19309908.92	16121112.37	12471948.9	16678668.48	15756461.76	16541652.27	16240669.72	13168173.16	27251822.96	13903160.28	15530157.02	9486230.406	20537009.88	12315883.42	14319602.3	15415150	13185402.14	14011136.86	15122753.34	12436382.12	16705284.12	9726993.38	16676520.05	5975067.285	22714586.99	9326446.112	14085110.88	14032961.42	20028814.2	11000737.61	14887022.98	13691753.08	10458729.95	15493550.99	12026868.28	15156812.78	12156718.72	12088215.25	15656441.89	10562719.45	10909782.19	21664469.44	65498.3731	14814296.22	14200305.84	13957637.23	61081.06852	10990470.4	14758527.13	17960802.38	51063.54637	13920050.38	14936122.38	14284276.91	47682.5517	10751828.46	14374396.41	13113444.45	51482.99235	16663066.33	16851515.08	6707716.537	40430.18101	16994655.82	15651232.63
C5 H8 N2 O9_7.968	171732.7548	113219.4762	113127.4067	64180.35056	36838.70136	25279.43361	21398.36766	19581.98964	19239.33451	12262.05106	11402.61386	216785.4937	168163.1077	114342.4041	88786.50602	68265.03172	55827.96067	39779.78129	21443.36457	24778.72721	114008.0473	85020.54157	48272.66764	50946.43358	45135.45014	30371.61289	29128.93576	22452.55383	17834.87587	17959.4546	403762.4568	1049948.646	683325.3515	1008026.62	507343.939	468367.0433	586491.1228	786691.5449	616224.2261	632015.0245	498415.2167	1110561.09	1676374.112	1124336.062	938540.4076	857813.4499	288820.5369	174732.9206	129094.3803	72849.33636	56410.11134	45573.70792	45484.884	48840.96268	36451.89616	46568.06341	25433.87334	81125.20079	158084.5844	74540.866	61960.94515	78272.07615	35772.14304	25495.83515	24332.10192	94442.22122	91957.87558	61416.9394	57641.62856	44215.0852	51281.38739	47172.92693	35288.16075	37465.67921	23485.01025	14254.20845	262088.2121	266410.4868	154402.903	77958.72837	94074.35365	66632.12867	39261.77755	23694.5309	186080.8696	127105.805	50193.20288	48756.15606	55669.28849	34599.92616	27497.93243	21753.64544	28224.4222	19934.99273	20031.7	105607.1314	83973.11922	74105.30794	68051.28856	53382.94154	57708.75412	25032.09611	3631394.802	901831.1791	1727685.981	3356643.713	1333267.128	1552159.152	2280541.66	1649259.285	1592604.288	2102644.599	98998.88435	454249.8918	317923.0027	206578.7528	29833.17236	139731.5945	459690.155	398878.2437	16840.31018	343380.8259	334496.643	356438.358	13895.16324	284339.964	289065.3585	271902.0751	10808.88268	282636.2616	247173.131	444626.7489	6762.941207	330629.0307	289897.8803
C5 H8 O6 P2_13.363	49106.56714	25412.45981	24672.50269	19912517.88	3442235.998	33041995.48	14120710.95	12876866.68	44610314.69	11654320.5	15028992.22	102740119.2	45547.38139	31867.59179	19463035.86	16291157.29	25413079.83	10588201.66	19011165.25	11860.96604	26903.63799	23105.97286	13572.1971	20422725.7	22477875.37	15809937.06	12620379.75	11670581.53	14327968.48	14956776.45	31556.12035	25203403.8	9437934.948	34512093.24	14593360.55	12899950.64	12576580.32	29685317.75	26517992.91	20623117.75	16347643.53	53187.29502	28649.01055	17967467.51	29624865.64	22921327.28	217618.8087	43376.47434	42052.92177	20764831.15	27385924.82	20983963.38	9337050.883	22149471.12	20171302.52	16870543.91	9899.527975	14569159.3	15191757.09	21067871.64	14947756.72	25771008.96	11353611.34	13330733.28	14244631.33	12375977.66	17536.90215	23856480.38	24253267.76	23201689.89	25203258.72	22147230.92	12028428.05	22466905.77	11496840.3	21956491	97061.37586	38982525.71	57660804.58	18376879.8	20603977.52	12058.55662	35798806.01	11540325.66	45247998.6	26482.2448	15691409.72	19397970.1	20884446.03	11595376.06	17447430.09	9443635.866	17774902.82	20510862.89	34353835.83	25756.17025	14717.31713	16258577.07	23375004.5	14348966.97	22835792.69	13274838	68154.32101	17690.01755	15993.12071	24172032.79	12691904.05	15639057.59	25706972.33	13605568.71	10994633.22	38472002.84	137251.2525	826169.7237	34036.5304	18182891.46	24499.85161	24187.85026	21830313.36	23841392.16	15858.07213	18371657.54	13415.10985	14067.12459	13527.98676	14052000.42	17212643.17	22354813.42	14317.85142	18164556.56	19325003.93	14754183.23	9876.077473	20291565.75	20053980.47
C5 H9 O5 P_2.417	1261902.445	1812604.644	1198783.677	1359221.358	1045861.904	1067684.427	1232193.762	1491870.206	1582279.552	969328.1036	1130210.389	1988984.083	1439826.213	1690651.779	1064359.799	1127200.683	1218792.031	2171515.382	908853.9383	1335414.888	772829.6878	1195082.263	1325072.437	1732484.173	1290138.446	1028856.074	1419134.76	3910979.83	800516.9539	1063469.552	1144710.674	1671242.702	1387680.77	1045271.203	1070248.418	1137903.505	951114.8672	1304534.844	937961.6445	890391.4433	1242179.536	1649085.851	4901676.989	1908939.639	403848.2928	1022814.844	1501537.898	2042678.428	1372759.916	2372711.003	1452015.149	1783425.106	1479812.185	803718.4695	1147192.239	1123372.337	1391844.737	1380519.355	1669873.639	1230852.665	1594681.897	998937.3904	1301179.032	1542329.401	1730067.097	1083560.383	1082959.348	1327636.832	1149877.1	1219495.619	1677326.234	942314.4475	933793.6715	1131219.724	1347074.457	669236.0864	1234683.178	948091.6449	1682909.675	951710.1113	1348262.96	895795.791	968094.6516	935301.3608	1061634.134	1591495.152	1293615.4	1331144.834	1048302.564	1230435.182	1266494.198	1449925.885	1348378.479	1419305.967	916491.3013	1543380.783	1134908.319	1194075.674	1262232.089	1017829.408	1817070.493	775606.3121	1812642.031	1223017.997	887817.9306	1040649.024	1503655.804	954300.2113	1142856.864	1081606.951	758741.1822	748046.0528	748212.517	3799103.933	4278125.088	4184620.994	549104.1944	3433657.12	3517091.518	4087782.169	829831.1208	4460552.252	4185809.229	3809569.015	834234.7634	3600700.419	3701297.362	3998374.883	585498.5143	4165906.855	4146171.45	4342885.621	415711.6938	3380536.058	3912643.928
C50 H88 N10 O9 P2_2.372	31465943.02	39945886.73	29908233.5	26915229.23	17542434.8	22565357.15	21186800.17	25733380.67	32511543.53	19825176.76	19260718.31	82652467.32	46785107.59	36645297.19	57335254.97	20196333.56	62354000.27	42216733.11	40019956.25	58419230.88	47469256.17	31543852.21	38328729.28	34585594.1	29728025.8	45503845.73	34060367.96	49086489.14	38899393.79	40003536.53	21376800.41	29989882.48	20334891.22	35474256.88	27529603.36	25678124.38	11150217.42	23284667.74	24005931.09	23039567.02	22443039.65	52870814.75	76067005.13	50517403.48	41709907.86	43572212.63	35159436.38	27986385.84	24876750.2	16824520.46	36897249.07	28393080.06	38121807.65	22900570.32	15850710.44	30420748.21	19067847.92	49914723.81	44682016.38	50407676.88	55897521.19	57810791.53	65783483.02	50014746.45	53040198.56	17512480.13	25941672.8	19974661.3	27611811.63	21669931.3	27562702.53	20903290	18644852.59	28981745.59	24694955	20666537.8	40194636.81	53642604.05	67711685.56	46590477.97	46278937.39	41614602.98	58176962.37	44001057.47	21931201.96	35337896.67	23854854.75	24564298.69	25190513.45	21264866.05	22123777.32	22301460.29	33893398.42	24554611.2	34943518.51	47451797.15	56534448.63	56147249.08	49535517.84	51241829.24	54481788.91	38088985.38	39529103.01	34781995.75	32968795.68	59343435.91	47490172.61	68010118.43	53951864.93	57251458.65	36586295.93	49171979.88	28149.23244	39487627.7	38365909.21	41163623.93	24968.38796	35201654.04	32171687.61	44888940.41	32442.46924	42673926.25	37401225.09	40719257.8	31749.49261	34368760.24	35389629.02	39294563.55	21243.43878	40017685.32	41374192.36	42963957.96	29131.10388	33672257.58	37625419.6
C50 H94 N7 O16 P_2.347	18999887.08	24307879.49	19159667.4	16654812.13	10053596.02	13217425.65	11651593.05	14395576.16	16749916.6	11140854.61	10911594.96	36983965.58	29464644.01	24725354.02	37049477.6	10760143.08	40183176.34	24096788.08	26940481.43	32587096.29	40398201.05	25773652.63	27859430.31	26207808.49	20490242.61	29375257.72	23388369.68	32318616.09	26384869.19	30808597.11	11865571.71	18648915.77	12749194.07	19983366.36	15235557.2	17374931.18	10288247.48	12877215.24	13322819.72	14080178.92	9117904.925	34362215.55	49357897.09	31721703.74	19668490.01	24702041.37	21686214.35	17557719.25	14173020.79	15657727.92	21483022.07	17105977.07	20767224.94	12850514.61	15732811.17	17418321.17	11359389.09	30504292.05	31179460.39	30446963.92	32914260.7	33101935.6	37291285.28	28437543.69	29654314.04	11459633.18	15946910.3	12767363.05	16078029.06	11283031.83	14766467.56	11645588.38	10274189.46	16229495.05	13559142.4	12185644.41	21657616.05	33422807.23	42854932.93	25328054.06	28542472.5	23893917.11	32449846	25960097.57	12732709.55	23883377.92	14847425.66	14985848.23	14466664.08	13920819.81	12732577.61	13000788.78	17277595.3	13522582.74	18918259.89	28963282.98	39645709.11	35389184.94	28689063.3	35852843.17	31115916.98	22088211.46	24945966.06	26238309.98	23811382.97	48227525.81	24991178.6	44311193.69	35003668.56	34946651.69	24677946.57	32774315.7	24571.34596	27262838.36	24091014.37	5960249.493	20398.02263	24028698.45	25205762.43	26042329.36	14064.72742	24868651.16	22690976.31	24406891.71	15826.46622	20875437.54	21147285.13	23071807.77	17319.2533	22248092.85	23371291.76	25913289.73	21761.46998	19737499.4	21792509.29
C51 H101 N4 O17 P S_2.177	13922170.38	13354521.31	8686645.689	8385999.609	5724187.155	6582065.37	5462395.494	8593644.953	10933246.08	6345830.113	4947697.85	19728061.75	12106610.44	7751370.846	14485204.92	12734740.73	18061227.51	11625940.28	10373630.67	12367986.9	14035715.04	6159828.945	9231569.932	6356124.563	6542403.935	10043698.13	7218088.336	12052388.7	9694926.206	9498895.267	5789077.539	10178152.74	6755042.131	10451835.58	10011953.32	7293980.683	5636287.758	5972646.385	6384021.641	5529955.966	5895380.494	10377225.25	15156532.47	8301278.797	10235009.84	8516814.131	10019646.89	9397750.07	7620592.308	9256251.582	11507757.58	7967863.306	14217366.24	8059032.551	5544533.766	10845765.65	5022138.139	10448186.08	11508378.34	11434184.6	15936586.74	14888497.43	18453647.36	10435176.84	14333297.19	4795232.748	9185971.246	6938441.51	7780455.408	7730586.953	9314013.382	8770751.962	5202533.262	12380649.39	7202119.732	4746780.598	8281835.938	16008180.57	16727812.97	6678054.084	11163216.62	12106649.98	16140581.56	8480975.848	6508455.826	12512373.39	7409317.907	5991487.321	8025609.075	6644754.546	7538279.84	6036954.724	9613975.594	7779692.817	9914498.433	8241086.895	15454211.07	14187462.47	11681382.79	7722709.422	15882003.82	6676750.852	8432454.382	6931425.209	6946416.273	10854149.88	6169714.535	16335920.17	11838239.47	11672921.3	6091288.806	6209060.234	25821.1371	10031512.78	9161161.868	10278957.63	21077.5121	8943933.877	8862604.516	9973861.361	15783.66764	11825719.23	10509733.03	9884839.906	17916.67765	8173517.153	7611295.16	10107328.67	22757.58413	9712876.724	10016026.43	12100950.75	26659.85973	9106086.785	8690977.584
C53 H100 N6 O15 P2_2.366	61404894.9	67759280.21	53745715.13	44542685.86	34603669.37	34764164.65	30304722.37	37508500.53	45447772.55	32636871.58	29689321.79	135475332.3	106543405.3	76207543.96	97577568.32	66484058.21	105826772.7	77092541.24	80807343.33	100633687.7	139361545.9	76104729.06	94991824.93	95107773.72	81353575.9	100741076.6	95265813.04	131051699.3	106922573.4	123880331.8	21461871.51	49008259.77	33230742.47	57820550.26	45167159.12	42428311.94	31300833.14	41781506.82	38177252.64	37617118.43	35985502.18	76354202.62	154224810.1	95820224.91	60302096.47	76954588.18	71278425.07	56057798.3	46498905.16	36407634.83	65319022.22	47879077.36	59409983.78	44964706.16	47937892.96	47000207.51	33599815.34	90143725.85	79497369.98	88297796.02	102985697.7	113155062	114335198.7	84732977.08	88367490.98	28741279.3	41638005.61	33378341.55	43502724.43	34996283.2	44429459.1	34252619.85	32197740.53	44433268.04	42024143.95	32162161.08	84336264.77	100760788.2	108972655.4	68200458.6	80750254.64	73168556.37	100721089.7	79381166.92	42491178.66	62386965.77	37865241.46	42719527.8	43604570.83	37119279.43	38835380.94	19553102.93	55806067.71	38546529.77	53193678.11	81821531.1	112359120.5	101560233	85838087.58	80476372.11	95364742.58	65948755.56	109506088.2	84306852.57	75216788.5	131557179.2	85302925.48	155313738.1	120617024.3	108977512.6	90447092.91	101076481.5	60351.64308	53461183.02	80702330.79	81119422.49	25454.044	64279265.11	66678617.14	77813298.42	33826.46314	67306253.93	72732250.4	87628915.74	31741.92474	35631077.99	70090955.88	71354761.95	44610.23756	72985157.67	73269186.48	81687857.24	46895.145	59661321.1	66277465.86
C54 H97 N8 O6 P3 S_2.369	49645521.8	60083398.6	40639014.12	43563156.16	30751945.49	34558957.56	33733105.55	25199001.06	47849788.33	30168167.29	29420074.82	106880342.3	84178066.07	55093491.66	101892432	74882152.69	109941466.5	69629366.9	75357742.87	98621082.19	85916695.72	53197323.89	60362818.76	59655413.55	57589073.57	66216055.59	68678569.96	82134241.03	40571620.32	71995769.67	33185698.54	47818899.77	32928087.8	53285890.85	45092640.71	50862210.1	29094086.66	34550447.24	37474021.48	31675172.89	23262760.95	78215776.35	106946376.1	91609681.13	52399237.96	63694835.99	53847002.27	48092072.37	44791483.68	39351142.59	57704428.4	45262735.3	56852526.95	36430470.86	46416067.77	45852455.33	33197108.58	82215334.38	75533398.05	83522074.7	91730181.48	82825170.99	106555395.1	79068195.66	86611031.31	29845078.05	38926946.06	32866386.7	43108927.37	31182877.79	41428571.77	33226777.39	16118576.88	46311670.14	40696153.56	29186843.82	67171282.85	85538929.68	108424547.5	68565974.71	76379573.84	63756308.05	96989016.1	69325435.57	34538615.43	51990352.94	38994844.76	39568850.97	39910314.68	39190317.48	38111490.3	32609989.4	52725252.3	36280876.59	49066008.88	62012729	100385763	96979487.42	83005638.36	76617397.12	89528170.74	63622332.22	62225729.24	56839079.81	52833285.4	95516230.68	56845045.43	104743209.6	82521298.56	85578858.95	59865307.76	64096575.11	31903.61959	57865282	54466649.82	70027434.2	29415.14395	50451650.3	52379745.86	57879725.25	20885.35075	54788512.97	63026540.12	69046744.94	25510.03197	51444586.41	61947803.46	68211764.08	33817.27672	28479182.81	59317237.97	74719340.11	53010.29095	46860692.69	57924894.67
C55 H102 N6 O15 P2_2.174	7863570.682	8253460.607	5564082.251	4811847.948	2822487.459	3969589.851	3397317.168	4639625.635	6222922.028	3670241.38	4127130.185	11914697.52	5640623.704	5482273.868	8551180.258	5577577.223	12987326.73	6489804.22	5620858.809	8540692.748	7910331.243	4101359.182	6556520.302	4173439.136	3371605.77	4875688.336	4362918.098	7110346.455	5012769.098	5535051.111	3917691.166	4226928.997	3822918.137	5435217.615	5688189.544	3707621.27	2896997.375	3624080.259	4438362.803	3142103.939	3373613.823	7463456.496	10779449.46	5454705.003	4399697.011	4621926.833	6492760.366	5650609.937	4387798.791	4368763.434	6834843.942	3918168.101	6539887.29	4186218.322	4168163.595	5489833.165	2876189.245	5876759.113	5683647.259	6681515.513	5778377.628	6707778.668	7382025.689	5373168.149	7243984.209	2787708.919	6721701.935	3758078.151	4547908.886	3683807.81	3694290.343	4006107.16	3041950.009	5860574.023	4104010.841	3516809.637	4768282.157	10505381.96	17197249.58	5126414.378	7265243.827	6358105.814	10333299.17	6483597.652	4513947.72	6058194.806	3537671.294	3335201.882	3744979.297	3365768.16	3691522.088	3828454.978	5836440.434	3610462.761	4682396.071	4129998.158	8125431.432	8310249.43	5763563.469	6290000.926	6122226.9	4444291.742	4386429.509	4530792.228	3440415.485	7061339.74	3958285.047	5655609.914	6551352.249	5701603.935	3964859.837	3328813.276	209464.7894	5904286.746	5768770.725	4925231.834	117373.5606	5135104.196	5193428.869	5989610.513	226050.1641	5975898.458	5191068.776	7878005.907	92510.41246	4782053.786	4643636.966	4782667.766	88780.06984	5326032.61	5690867.774	7371067.387	90699.90024	5084646.428	4878097.437
C58 H105 N8 O8 P3 S_2.364	43806568.91	95116744.55	71698762.41	58011690.34	36063831.7	22807949.43	38052267.55	44642813.37	30895735.35	42273374.74	43045295.49	176177863.5	134567460	105072504.7	133480547.5	115132073.3	149778700.4	94969746.1	99857387.26	126176356.9	220037998.3	129466037.9	147476053.8	153923479.4	133824056.7	149047353.6	134117983.1	188226626.9	156450635.7	168616562.7	32755769.32	64000932.65	43575246.16	72100170.68	58785665.91	51969588.89	24714083.42	47438498.25	46978825.89	46543372.89	41735800.96	161150057.6	197586712.2	119925306.2	73067523.61	92712742.4	86714857.5	74462678.35	61750785.56	51631561.51	74232833.8	56133612.75	62164934	49885269.72	54673759.95	56571984.01	40772101.65	111989805.4	94970686.03	114791902.5	122799114	131826713.7	132780652.4	114472383.4	110796129.4	41609777.08	47695198.89	42307315.04	53047177.66	40208351.22	51914077.26	40360887.24	36060036.19	49839075.33	48222877.36	36131403.24	108430652.8	134177012.5	141221105.6	89913291.31	107717481.1	90757878.89	118097478.5	100307743.4	57481638.55	86494314.08	54742923.49	53089890.18	51531275.27	49397507.74	45958556.86	44398653.02	61959404.76	47464456.28	62721740.37	104606338.3	146171653.2	143369893	107815172.2	99419813.85	113692012.8	82053824.21	165260103.9	137758751.5	126670553	212719167.4	128765176.4	220627206	164654647.1	166259336.3	146013308.4	132263036.4	36398.92651	77002557.1	110789216.9	89325024.16	29680.31339	93173060.14	78502552.9	100736478.7	26055.55412	94327096.65	94391128.16	99708764.54	22001.74595	81764885.68	87443079.32	93674003.5	32679.52753	90294851.91	93084100.01	104182161.6	23694.1241	82721875.79	89105659.55
C59 H115 N7 O16 P2 S2_2.349	2584058.97	4088014.324	1823063.659	3244836.318	1582275.147	2047041.546	2106353.399	1797769.535	2090786.337	1630519.241	1486813.317	6028642.878	4459538.893	3790416.066	4860787.347	3690504.367	4587639.598	3621082.693	3552610.132	4323142.742	8097000.656	6285546.45	4636081.731	6093346.451	5380166.907	5637555.71	5311439.085	3944437.886	4590318.757	3732326.96	1904604.388	2502726.644	2062753.337	2422953.322	1768862.332	1587107.59	1463389.263	1924149.085	1671515.524	1906378.224	1681160.896	5711800.298	7373863.082	4460491.156	2711003.446	3502776.474	2848577.087	2713693.678	2225079.333	2380058.073	2682861.412	2178995.883	2278414.723	1553072.646	2018807.513	1773221.07	1477662.48	3881358.221	4355221.585	3777538.61	3648230.104	3397705.193	4004858.837	2931651.042	3041398.52	2121277.378	2076961.198	1690113.962	1737274.105	1489959.44	1698602.832	1693873.346	1719858.602	1868200.39	2241649.405	1533911.57	4568171.98	4326869.955	3772292.923	4071137.838	4262881.822	2820503.468	3179602.428	4635122.355	2234604.488	2725815.675	1696432.569	1908637.659	1579128.889	2200591.803	1890631.693	1609897.12	1884852.698	1923698.029	2022158.821	3305793.622	4676503.526	4004935.109	3599231.797	3480122.46	3483890.162	3053253.035	7706621.201	6573689.158	5617907.207	4808433.812	4373183.625	9540774.192	7838125.767	5412837.295	3409073.395	5211280.53	37962.20772	3486701.285	3248131.991	3223739.114	22206.01589	2467155.146	3799015.6	3353012.201	13238.66943	3397690.428	3524354.519	3403636.598	14046.27537	3299741.163	3059607.869	2917548.043	14003.35224	2954814.562	3590265.519	3635483.781	13106.17717	3296834.042	3105485.139
C6 H10 N O2 P S_8.212	3314269.904	2901176.186	2832730.865	3696245.839	2395258.978	2329724.616	2523005.49	2111020.711	3112456.757	2727111.155	2455629.88	3308262.173	3261465.671	2619610.727	3492782.376	3652693.558	3230664.835	2762378.52	2687221.185	2556537.208	2952898.194	4416724.334	3741794.488	3420121.734	2735717.224	2978712.754	3159769.305	2772324.745	2997245.721	2910379.72	2149346.554	2840875.189	2380667.154	2928552.827	2422491.19	1855347.216	1912976.939	2456290.573	2462404.372	2046183.407	2498559.252	2199136.226	2070116.339	2281289.099	2023991.674	1550590.105	3374741.197	3704343.81	2907073.647	3357998.37	3455530.949	2930025.515	3405130.605	2742517.669	2644396.747	2899974.306	2387941.83	3627353.113	3063600.948	3163458.249	2604568.311	3041950.553	2958687.063	2719790.015	2265824.909	3505035.342	3901871.317	3239643.243	3176277.922	2909757.379	3038255.808	3294427.901	2459756.908	3257393.996	2584688.752	2707881.785	2644505.728	3008281.152	2882347.902	3678814.428	3559505.295	2853144.947	2910565.909	2935240.502	2888741.438	2480698.527	3015659.359	3665921.944	2885224.122	2830979.653	2932370.463	2547008.754	2644469.042	2778383.256	3061931.254	2398112.689	3794965.336	3462171.92	2468277.228	3010465.527	2866017.483	2325671.756	1845622.794	3367409.166	2698343.986	2617631.209	2576359.442	1841294.873	2079617.843	2069138.431	2394990.086	1847410.139	28076.76002	3107668.313	2836460.875	2418777.899	19774.09106	2323906.143	3502695.903	3297064.299	15387.77153	3083884.704	2952391.863	3045276.064	13382.39346	2709552.838	2649744.932	2617653.082	11864.39542	2707193.717	2682121.938	3567373.422	9654.628854	2893694.089	2736636.217
C6 H15 N O7_7.975	3684609.646	4759181.095	4590804.267	4093906.915	4372257.082	3473119.72	4939963.363	15035531.59	5360159.658	3503931.135	4359217.509	3433384.488	3265979.025	3357109.636	3626214.847	3629240.427	5581361.22	4053803.142	4587610.107	7125502.677	6502584.288	4579014.295	5856160.534	5865112.21	6446003.701	6548795.712	14366387.39	8533163.241	3934110.273	6280175.821	16286265.7	15201729.1	16323356.17	22382561.94	18627032.46	15385752.67	24803777.25	12872228.55	12933229.99	33514891.41	25396908.02	24953520.92	47653563.52	45481189.6	52636859.28	52724723.34	3221067.426	3957771.912	3123326.862	4733315.93	4661611.434	6860226.845	6914088.594	5187610.449	5791937.876	6994233.537	4748230.915	4903326.667	4747006.93	3309124.16	3535493.323	2354841.187	5563407.962	5660105.92	10920913.75	4475923.645	4445641.792	4782413.938	6310280.733	5884515.832	6289598.505	7060469.83	5477422.349	6465812.77	7209255.413	5521835.918	4322681.207	5419128.55	5673398.501	4398818.117	7025212.559	5732886.047	3135561.74	6258533.835	3033560.166	4072728.444	5714041.991	11514762.18	6011786.015	5212214.779	6423520.999	4418338.052	8054707.073	2357984.986	5107366.346	7717522.759	4547911.77	7450066.959	5135244.202	6539868.246	2000666.501	4412915.921	44995719.06	18288058.7	29288663.1	49226477.25	44652819.84	8991475.023	53962803.54	38273269.52	27850542.34	26062560.79	1093037.296	12388768.16	10047309.68	12221655.54	1369612.396	12481491.16	12731718.54	7947550.344	16558.65394	8466225.603	12945018.28	10640232.31	1988713.198	12987055.27	12859932.44	12863886.16	1765360.618	12376078.51	15380995.66	6195757.912	2603475.599	6403196.56	17294317.95
C6 H2 O10 P2_13.106	31015093.99	32069256.98	29771381.1	23605691.85	10103603.66	21570090.65	21302033.21	21305724.71	44065378.85	18080945.02	18667950.7	46120082.77	25897567.12	9903441.716	22152853.49	17388107.67	24970530.85	15522231.16	25921944.19	21012509.28	23086108.21	35489571.5	26857134.76	22424388.35	26695776.2	21919813.93	20534624.52	17720264.68	19491604.14	21088879.72	13075540.56	31471355.71	13618589.29	39426947.19	16507303.2	16830201.34	14036494.08	35376513.44	28956484.44	22459577.62	22469922.1	41014965.98	74680766.13	24622081.84	33396387.06	22154366.94	42691559.65	22813967.37	9052789.935	25742958.86	31416940.18	22272722.51	13000939.99	25113785.41	23891216.66	18129756.38	9106826.144	18588891.12	20812863.41	10818040.71	20287301.78	28301876.22	14279293.63	20779564.03	16744827.42	16822236.51	65624884.25	24152993.17	30271426.59	31127440.35	26498798.53	25950497.31	13905730.81	23805822.6	18271219.25	25355397.18	31189485.42	32115223.43	49423730.45	23526547.82	25244737.78	14047398.57	37073594.53	18980651.63	26625238.44	24848357.57	20841674.72	24203338.03	23088377.19	16146091.47	20697103.25	14515487.8	24371544.49	23258816.61	38835212.73	13926233.9	23913201.22	21929713.13	24949680.77	13741868.8	25328735.3	19602920.61	18031886.34	23879078.66	19884567.19	24708804.01	18780697.46	16767053.65	22452539.31	15825384.73	15306931.94	39315670.09	81494.42946	27075991.3	23686617.51	22735190.45	76425.47971	16897436.92	26213408.56	31555657.76	54970.50151	24083646.98	24801326.58	27868898.74	48010.7066	16526857.22	21957624.42	28047996.57	48681.04078	26767278.1	25788192.23	14696177.23	38022.10021	27216435.05	26683728.19
C6 H2 O9 S_13.1	14938055.46	13966785.65	15160239.37	9395124.024	4495697.211	13695290.11	10078953.94	7990875.426	24713301.43	7306296.667	8690126.959	22919045.86	13667361.03	3503021.707	9856036.692	8126504.943	14603347.31	6305876.154	11211245.65	9315329.054	10068843.63	17192906.59	12158614.99	9522823.27	12732897.49	9955861.875	7462746.741	7739380.217	8459673.472	9005765.328	5433923.754	14817527.81	5545221.587	20587359.72	8560820.07	7851151.363	7200679.676	16993613.02	15816799.23	11819258.3	7852446.086	21741022.25	48794142.41	10134568.29	16235465.92	13545679.97	19247221.24	10670730.93	3380274.973	11483023.2	15050999.45	13948946.17	5063727.893	9050220.247	11054586.78	9339652.994	3246958.913	8420484.26	9012020.545	18781.14592	9005257.811	16468438.42	6353389.707	8277728.824	8127412.235	6464650.636	33073166.71	13342952.02	14539764.39	13782693.87	14781292.6	13367191.32	6873466.722	11653599.46	6024179.18	12652511.44	15190547.86	71424.66059	25097492.9	10098648.54	11599112.29	6547358.439	17512701.14	5368318.137	10812366.93	10679789.25	9133185.933	11313008.73	11824065.22	6646067.137	10101641.47	5515755.144	11247557.84	11669472.78	20396213.13	5306704.723	10808125.8	9608394.131	14009684.87	7965702.218	13201882.94	7090005.77	7772301.695	8397684.244	8399338.389	12213384.38	7469872.206	8905139.442	14485379.08	8194481.79	6632192.368	21225396.45	31023.37125	12109436.17	10909283.76	9954280.397	25913.97911	7653582.354	12032558.88	15459134.81	17915.98904	10545352.43	10783068.35	12557756.53	15684.90845	7877122.543	10134989.63	12726004.37	15490.6736	10857717.23	11241567.28	8901240.216	10943.78268	11741674.63	11706999.93
C6 H3 Cl O6 P2_13.091	5773019.286	6458743.612	6376202.316	3731907.205	3385144.9	7408957.497	4980371.559	4908562.432	9854487.08	2879743.364	4496571.567	8071266.25	5643245.591	2313821.401	4781433.733	4159172.838	5970468.261	3365088.731	4817991.142	5403998.265	5099664.631	6263641.588	5105369.845	5234755.749	5317482.622	3820191.007	4074146.866	4605031.782	5209829.277	5550543.035	3210106.743	5958766.281	2974937.591	7370863.997	4627063.921	4718778.145	3894851.593	4735694.456	6595309.047	3507344.32	5029596.922	7954897.14	16672183.16	4156025.585	6648543.113	6163168.923	6715457.493	4933512.485	71066.05233	5067337.366	5015768.14	4572335.62	2740930.995	5516022.065	5258268.617	4620569.921	2085715.911	4104535.354	4282866.574	19791.82963	4513444.899	6892863.003	3250933.159	4930989.951	4581508.304	3452655.063	10864781.29	5305173.732	5832921.585	5206008.961	5928165.586	6146800.971	3600206	6433223.848	4323855.603	6267716.187	6078052.567	5954741.176	10084145.12	4812897.056	5346780.649	3429312.238	6315278.126	17804.67789	5427518.629	5531880.323	4634848.882	3787563.637	4761692.617	3774934.434	5492279.157	3666395.374	6291242.596	128495.9738	5880390.831	3321028.62	3844040.337	4406897.303	4746948.607	3828118.262	5376058.163	4794224.739	3865165.053	4780096.648	4230186.484	4311187.079	4055572.056	4463574.268	5689696.989	3952023.372	3453082.631	7657195.208	21145.337	5189919.483	5307702.257	5067173.154	21636.98596	4021840.462	5207136.472	6018334.797	17798.50118	5255889.164	5480413.76	4144226.469	16077.74046	4091577.963	6359717.355	5029966.417	16955.22784	5651880.331	5153172.068	3835505.716	13885.43394	4994514.296	5715299.258
C6 H4 Cl O6 P3 S_13.087	6086610.67	7598462.081	7254459.763	6482956.137	3673093.349	4432726.387	5005434.147	5663615.782	8530691.878	4437751.187	4990042.662	10404006.39	6199974.905	1986496.553	4832879.398	4529816.592	6726319.858	4182288.655	6933410.631	6122222.351	4091177.952	7495237.787	6267495.753	5307726.831	7081434.478	5555301.999	5208587.533	3447524.784	5249382.531	6199623.757	4200340.053	6594111.8	3567656.728	9471582.205	5224621.112	5359271.136	4251394.368	7159492.592	6183423.93	6683497.005	6228382.272	8668504.505	20960741.82	6116017.749	8389032.545	1270839.982	6521888.441	4229389.521	35157.06422	5688647.257	7999051.321	4106648.082	3174630.769	5816232.363	5534722.074	4521879.927	2558328.09	5245627.509	4599392.857	20769.6583	4332199.113	6394681.987	3875651.146	5719354.275	5314093.784	4044847.8	12842192.03	6726640.209	5750501.902	7394221.479	4423130.007	6218440.678	4118761.6	4824929.067	5633485.13	6725092.538	7261061.241	7347831.327	9579478.231	5532194.92	6537001.164	3717602.845	10340331.87	5307468.582	8110524.226	5815019.187	5248406.172	5790125.996	4675175.336	4157144.705	6113386.514	4035788.161	6370711.119	6073624.821	7579983.555	3661118.079	5774751.676	5850664.954	5863824.992	5054381.451	5939726.359	5389979.891	4374702.794	4521996.121	5266696.124	4913797.845	4889298.415	3878491.613	5236382.467	3908750.467	4455853.843	7794719.285	21888.99002	6199657.208	5692630.343	4653684.399	22603.09431	4437429.731	6377999.864	7167589.253	18107.45498	5216441.646	5706588.977	6876627.871	16212.52134	4182783.87	4554810.908	5559385.966	17303.17514	7082070.797	6403590.819	4210353.201	14229.11819	5141466.408	6321117.669
C6 H4 N4 O2 P2_13.102	27215524.91	24444263.15	27060585.97	19825148.35	8111819.093	32851066.52	14138708.57	12955275.5	44897744.51	11773001.94	15190377.71	41905758.26	18954331.19	6263147.534	18465412.42	15617591.4	26053139.65	10642721.39	19051999	15147044.92	17082877.38	33114467.13	21413209.89	20949407.01	22663221.92	15844998.37	12567684.48	13237610.46	14382576.19	15025567.68	9760674.38	25442255.44	9589025.076	35064097.79	14538886.03	12881322.62	12575674.46	29944369.94	26757375.94	20815379.02	16527654.39	35810602.95	80760517.21	18390083.56	29414074.27	23161137.56	33085932.12	18001570.51	5741184.359	20415087.85	27782930.9	20950272.42	9279040.076	21987901.65	20041778.74	16792842.07	5646634.088	14871209.81	15555036.8	19152.58056	15118130.18	25582749.66	11284163.67	13370645.35	14315607.05	11606975.44	59837945.23	24166322.99	24741773.03	23356744.74	25029289.54	21986721.66	11941563.02	22345322.91	11558452.33	22167580.82	26020500.29	25969581.45	42884889.77	18188202.37	21067559.53	11160990.95	35730653.82	11560109.22	20102425.11	18496188.5	16044467.7	19812517.11	20777268.28	11517825.25	17438225.74	9451472.463	17849713.78	20670623	34693958.43	8806286.537	18798128.78	16542162.18	23604562.17	14342852.3	22677922.35	13350874.04	13089515.04	19038167.02	14900133.48	24807898.31	12930868.43	15696203.02	25537212.03	13537278.89	11083774.1	38795939.79	31032.89393	20884280.4	18928818.74	16065754.72	26311.92364	13658825.32	21949063.77	24474983.23	18278.69469	18845740.18	18722635.36	21985780.35	15973.43625	13989739.47	17090559.47	22281472.21	15974.21565	18121622.98	19374757.35	14854366.17	11372.65695	20443012.47	20280242.46
C6 H5 Cl O3 P2 S4_13.081	11885587.06	9406331.024	12849935.44	7542805.997	6441786.609	6793095.509	10581004.44	11212966.54	13404487.7	8234183.004	10685022.23	14330297.91	8578468.052	6647819.004	7909694.862	7272875.687	9846899.832	6568253.041	9235745.933	9696037.594	8633707.728	10109452.74	9454031.514	5845746.174	9012895.433	3328131.031	7067223.963	8234761.453	8934815.58	8569539.875	6285441.266	9875331.787	6177325.265	12498225.79	9029148.985	7218287.605	6549065.7	11675714.56	1207504.884	9907640.469	9534484.056	13149009.15	19516406.54	6550133.64	8598638.315	1013632.4	11773245.04	8837041.478	4522296.246	8847967.017	4218590.746	9107573.011	5448127.77	8655179.695	10496289.92	8123250.48	4754374.187	7822469.879	7600816.636	24074.26138	6845710.337	8755292.293	9016778.234	8894303.723	10131519.16	6959365.045	13433909.43	11193553.89	11094413.54	9402260.576	9914477.223	9272415.126	7420192.606	6356358.234	11927971.27	681510.701	10653015.4	12498725.77	16114582.97	8763151.893	9848831.31	6044677.555	4999542.979	7993824.502	7480945.654	9403688.639	8497394.843	8602921.581	8374025.565	7112798.433	8261335.414	6711296.533	10230451.06	296234.6033	11228839.42	6553794.718	9547012.267	9214060.717	10537540.88	7035699.503	8090433.11	10083446.22	6919142.92	7546572.908	8087124.817	8068918.897	10312800.16	3823784.067	9262912.914	7030948.661	7813181.618	13834840.64	22445.01703	8728611.777	8406589.583	8572141.567	22921.25674	6671772.244	9406966.211	10491637.54	20782.86947	7633789.507	7203459.307	9815713.005	19221.87518	6491248.401	8802511.731	8279210.98	21116.42338	9742041.446	10343100.66	6359094.862	19953.87717	6854596.942	9508836.208
C6 H7 N8 O6 P S_13.092	3619046.179	2998697.225	3455863.016	2355954.79	1065724.067	4483424.254	1277384.201	1224500.409	7920359.531	1242591.392	1823349.189	6799663.428	87027.86365	368099.6198	2076369.034	1761265.808	3305176.843	957908.9061	2294380.143	1613151.484	1808160.885	4504550.41	2515704.369	2444142.461	2777669.556	1767217.875	1249303.977	1298173.093	1367672.71	1423136.141	684250.8482	3574987.604	792977.0925	5172821.784	1516602.826	1100581.002	1276188.43	4958310.848	4057572.307	2622359.68	1790398.144	195691.8547	17855701.03	1850096.556	3908303.066	3225349.242	4988535.139	1975069.728	369292.729	2356966.243	3341503.69	2931398.648	809932.7879	2749472.482	2220462.181	2593448.333	392197.1479	1425031.992	1717117.041	15981.52346	1504183.26	3225590.502	1068884.383	1317263.723	1478685.237	1046291.732	10270678.05	2690466.267	3082284.697	2634585.978	3172725.54	2714766.959	1001297.373	2635849.453	916540.7315	2829239.73	79813.97963	3300548.244	6017755.272	1811760.722	2520862.815	1036440.048	4111908.766	1008552.786	2362368.177	2588940.527	1616101.715	2125993.137	2701595.167	1012966.716	2021701.105	797678.4753	1906074.597	2710362.584	5909095.125	661448.5906	2163165.764	1804574.207	2824257.652	1354717.258	2654284.645	1312577.874	1400590.399	2113871.501	1504508.956	2622869.35	1219875.682	1630993.218	3404111.977	1393141.607	1063757.167	6391423.533	37595.25332	2720584.551	2115423.748	1549259.946	24405.71842	1505361.757	2754545.894	2853606.224	15335.02536	2247634.724	2393788.439	2641013.754	13358.07986	1496139.128	2162912.238	2609053.903	13104.98588	1947619.958	2123933.043	1515745.184	9097.931193	2592192.558	2488900.318
C6 H9 N2 O6 P S_13.105	30287964.94	28704158.89	30314934.42	24493691.31	12868037.1	28249478.91	18440210.12	13487398.94	59833466.13	13159047.68	17163456.95	50586934.68	22074048.47	6116062.877	22270505.91	22636007.59	30501015.17	12023584.91	23105352.16	16761691.11	19600495.05	40108529.71	25936907.62	25392618.93	28515212.74	19470823.02	13735524.75	13993633.55	15386173.66	16380867.92	9612518.769	28782944.61	11769121.45	45404715.12	16420646.92	13285288.97	13757651.41	39518300.38	33611323.08	23924571.16	18590157.54	42456433.26	103503864.8	21605286.92	33351304.67	27550977.05	40204666.19	20450418.93	5824039.376	23790488.77	33434416.04	25192833.69	11449581.62	26339328.81	23897428.57	19272626.26	5841323.242	17586319.87	19311947.37	18114.55987	17671598.77	31815178.2	12216074.66	14282881.72	15451293.9	13917505.74	76759993.96	27729118.21	23720688.82	28252359.28	31789940.42	27940976.59	12424658.04	26675299.34	11601974.32	25992904.25	32221573.45	31373143.75	51143832.59	20679822.21	22720085.08	12530039.07	43312968.02	11923339.63	24287823.86	20484710.9	18768833.15	24883208.36	24563248.86	12271850.78	17215870.49	10173284.09	19703766.61	26959641.65	45968124.78	8962207.841	21910735.98	20127689.25	29206657.41	15953403.74	26326805.85	14595744.32	14004145.57	22477844.26	17802470.75	26926019.09	15274474.1	14418002.05	34420001.12	15106325.46	12801085.99	58442256.17	32576.72918	24978251.71	22016136.3	17136286.8	25649.4479	15682894.58	27083683.47	28929302.55	17282.44969	22602285.1	21550185.53	25826060.72	15248.63909	16065902.51	20273767.16	28469175.3	15187.84273	18124296.24	21103542.21	17079161.35	10246.92328	26308552.78	23298988.12
C60 H109 N8 O9 P3 S_2.364	59161086.46	74293163.95	57291404.25	56638497.11	48330670.03	50246282.03	47643196.36	44908748.03	52986656.2	41796057.76	49542315.13	129116784.7	110454923.6	87193341.4	127116626.5	100314696.3	161698323	102375912.9	122391945.6	86230958.2	213283703.9	132915912.2	165817352.1	136973026.1	135848202.6	164352004.2	162479193.6	208997554.2	176249658.6	204520474.1	42890001.86	65453025.03	43028667.94	76332112.11	63028334.16	63702614.78	42301737.8	52050332.95	49230758.79	50563620.09	46444680.74	122485592.6	168951332.2	127164179.5	84486366.5	108069970.6	65103315.58	56908373.69	50078522.49	44276427.03	82640142.28	62105977.82	71635713.71	56896403.93	59076041.62	60569329.06	45132389.86	112820279.2	99115846.49	121548747.9	123045204.9	144448900.8	154260515.8	120480308.1	115492725.7	38423295.28	39688306.75	44723109.02	57334479.13	42556092.51	58213137.93	46319792.39	28887861.32	54362088.73	54112928.87	41478532.25	94051753.1	114712584.7	117013423.5	89494258.28	108851285.4	102561753	150632709.1	105863938.1	41255274.36	66780165.94	54721541.87	56475384.59	51930258.1	55597615.28	49535692.95	48180934.87	64224261.2	49837756.99	69609538.69	94290342.67	143285973.2	143547656.9	120573042.8	99865851.66	127088649.5	91938240.98	128959333.7	141257715.7	131825927.7	241647285.1	145743889.6	257865752.1	209915536.2	202124545	181077610.6	161670857.9	57284.34058	99576416.2	93577007.11	105414977.3	33498.55297	93516421.11	75635257.87	115245760.4	24431.06676	89970605.43	103743577.3	115410169	50109.66992	96869390.03	49433117.75	107250729.6	29696.29473	98507412.79	109510777.3	113263055.6	26802.85849	87360872.58	87243157.84
C63 H93 N9 O15_2.35	3334166.186	2675707.163	1962074.367	2441067.912	1486323.022	1429099.461	1881363.502	1749709.19	1985132.194	1299973.462	1315764.094	5445244.125	4280661.153	3328815.2	5075568.628	3507386.309	4885862.976	3245231.011	3421509.992	3522742.976	5532342.653	6091295.099	4822862.276	4265418.363	3836028.119	4502616.652	4125611.409	3839479.367	3318629.069	4148453.089	1818984.848	2291583.598	1593608.825	2061261.755	1857406.575	1706421.424	1497497.487	1809630.362	1480394.594	2057810.184	1448386.918	4546264.325	5363002.212	3605072.147	2332115.085	3020375.772	3372690.512	2653521.355	1744559.595	1659477.473	2732429.14	2155574.549	2409138.559	1273808.081	1870933.962	2015691.777	1533459.745	3580842.971	3428331.653	4088860.517	3632917.633	3373659.315	3961299.236	3020430.221	2920242.324	1979796.243	2108300.407	1836606.571	1839824.064	1436674.935	1854462.909	1565944.056	1701450.665	1962751.71	2524061.41	1422342.847	3537248.562	4043034.753	4115789.706	3498369.854	3014587.877	3788059.986	2724482.022	4106494.03	2420107.861	2437963.263	3076121.703	1829862.688	1603224.637	1821499.345	1743203.817	1662466.866	1782270.818	1742361.654	1801109.195	3140327.823	4029568.31	3911335.638	3517442.009	3220541.554	3530369.871	3072940.325	7624919.424	4702926.248	3983002.925	5261663.851	3522073.46	5771918.869	4686892.644	4194067.601	3651946.257	3896109.143	32725.66409	3341720.562	2790648.136	2693505.515	19493.79562	2416157.643	3256301.546	3628672.095	11572.15855	2894202.676	3022947.579	3051277.042	12418.85745	3013384.523	2901159.017	3047337.143	11442.72414	2586567.827	2676829.278	3463095.555	11268.96745	2896509.935	2974607.917
C66 H121 N8 O12 P3 S_2.363	53692663.03	80142379.6	62174187.24	55824468.99	42595389.76	26797342.85	42378514.9	49487563.08	31722543.41	47822262.69	35460017.27	131806692.6	108433393.9	87616253.68	129184093.2	95617013.38	149997862.8	104768802.4	105003257.9	124466161.5	267440401.9	171660695	208264011.4	176938401.9	173872208.1	188127450.1	195196763.4	270149121.9	257139517.4	322790611.9	27830044.57	63789841.82	38259386.22	66016467.7	49586148.27	50702265.11	38563455.55	50806493.88	53788170.13	40055416.31	41391235.02	130738673.6	184585694.9	126139753.9	72145090.17	95220014.91	63694984.34	38991152.85	48074321.39	52655266.86	70369267.54	54316011.86	79040220.04	49407914.17	58975880.22	49045699.62	43631605.45	107166499.4	95712808.58	123754161.6	110420066.4	145726620.2	136432407.7	119434041	98978715.24	39540145.46	36640274.47	39363034.57	48139338.15	37012442.2	45374191.33	38711875.9	39003947.91	51571704.82	51581959.71	37036339.48	79341775.88	96215554.08	116340286.9	89755602.98	102717778.1	89758139.54	133021549.3	105240473.3	36118300.38	74501156.57	45874107.47	52075676.76	54428850.84	44857299.03	54806388.81	47029998.2	65399242.19	45966177.72	66221100.18	93014977.79	134006909.8	132036491	104364834.3	103969216.9	101840997.8	91143806.93	172695479.4	198357413.5	168702051.5	276242348.4	173813889.4	285267932.8	236053426.7	228826255.9	213743508.2	192119124.4	28357.82297	102593880	99756927.79	94562895.01	26427.47909	91097964.58	94542958.52	114636674.2	27209.68105	97757053.16	97273888.98	116393464.8	20931.78775	86286365.16	89013441.45	107730409.2	28505.33401	87409283.87	107954581.8	113608796.4	27623.68042	83071966.48	97571736.7
C67 H104 N7 O10 P3_2.348	2953860.451	2704658.12	2355968.9	3003635.357	1649600.184	1540271.757	1792553.686	2140954.634	2173298.757	1612718.269	1489112.422	6683560.349	4752322.886	4003036.115	5071528.093	3836806.855	6465864.578	3525052.246	3562052.967	4002429.869	6780972.235	5927493.609	5816279.387	5375176.718	4877371.596	5503641.452	4935185.051	5427153.826	4161535.656	5028972.587	1906381.343	2968990.273	1874703.477	2446405.928	1960590.742	1919926.038	1348761.79	1922977.698	1657445.782	2541050.274	1623545.252	4760303.672	6266376.487	3508296.31	2732679.796	3545826.343	3392967.826	2657345.557	2261418.556	2187660.983	2580405.676	2295253.168	2180547.737	1670885.099	1942276.955	2179978.814	1485136.909	3918083.644	3851627.443	4011471.791	4117316.299	4011195.214	4122261.79	4492689.608	3157543.371	2297610.119	2220751.853	1902877.148	2044637.328	1528396.661	1769784.269	1587097.2	1389247.97	2041019.285	2375047.778	1645583.688	4587300.793	4103280.93	4172270.077	3751475.778	3920954.873	3409072.804	2993853.039	4539618.112	2449869.424	2482224.088	1785245.884	1934481.069	1718479.297	1919823.421	1855327.516	1817024.809	1990076.902	2011947.062	2199752.379	3350391.536	4607864.545	4051372.156	3494641.093	3475014.463	5511726.776	3146268.721	6821328.168	5375567.507	5490744.444	4160756.414	4497163.955	6766878.903	5175971.521	6250612.926	4662703.759	4338132.714	40275.82669	3585154.467	3730439.824	2938245.517	23563.25621	2445743.634	3761889.728	3893180.063	13586.10447	3383577.133	3372945.983	3707328.419	14185.00855	3381139.261	3142419.571	3352983.212	14429.07831	2865008.366	3488067.27	3880841.042	14167.875	3418023.903	3129732.836
C67 H116 O15 P2 S_2.362	37276418.25	78159600.84	62312568.87	56342863.61	37738052.05	26917971.92	45351032.26	63664476.04	55477908.38	41153306.53	43675693.98	132927380.7	117430924.8	93742075.83	127912608.9	100510579.8	162871318.7	109307015.5	110951412.1	132633609.1	233535921.7	154059899.3	195518491.8	163580269	165468760	195108153.8	193092086.4	230670981.9	256506280.4	241170957	45839575.06	76842230.05	41216671.42	74075641.09	34181503.98	60574085.25	28764757.53	49311777.88	46956894.8	46267818.04	44443214.94	69044370.95	184123107.7	137309730.2	87090945.63	106629692.7	64769405.82	51681553.65	50444243.77	45412316.82	85672057.32	66215787.93	67271936.57	48964784.84	63940986.8	61955849.1	44913723.81	115474134.6	104236845.2	131112590.4	129315740.5	142667759.7	147062671.2	132365215.2	111615947.2	39726235.87	24075534.07	44735582.29	60831618.95	44557343.53	58707646.48	47045361.78	39579351.77	55611021.64	47083504.02	33398450.14	89514381.28	110698679.3	128615033.2	95076892.25	113373417.8	108604312.7	169124154.9	111277686.8	39031652.08	42895107.11	55523053.99	59772640.83	57987201.63	54225245.11	50469686.97	47094854.6	63018373.62	49429522.6	72203924.71	90071717.43	153425111.9	149822142	110168012.1	127625623.6	126095004.5	92305883.9	155003282	171986087.7	149833646.1	278512120.4	171458263.7	281956066.1	237830439.7	217391735.8	175081853.2	193688875.4	27058.93213	102221179.1	97240758.45	103848628.3	23973.33271	108011772	87512660.35	120829966.1	53115.15735	97742507.88	100656949.1	123046552.4	30826.96009	63846633.98	101812591.9	113049826.4	36630.26086	93753324.08	109109723.8	119060134.9	69900.05195	85017811.81	98251676.17
C68 H101 N6 O8 P S_2.158	4702655.951	3731913.932	3252015.408	2903251.083	1809605.315	2452574.106	1853278.283	2890832.385	3836129.542	2157679.42	2284803.416	5180323.615	3840120.115	3262629.708	5436621.759	4000543.095	5374517.199	3715086.196	3979137.007	5132809.809	4336693.637	2452157.11	3000950.318	2998685.201	2335598.489	3179153.993	2878052.503	4115883.589	3377425.024	3895554.965	1860434.947	3769702.137	2150707.44	4389148.115	3092137.931	2765184.092	2024662.247	2408349.507	2599229.287	2037318.015	1985860.749	3362739.859	4608201.098	4058188.863	3264918.665	2866415.263	3536184.585	3180889.934	2532798.469	2609474.115	3733656.385	3273550.123	3837511.554	2919303.038	3149443.472	3478367.987	1810610.294	3522294.666	3612403.922	4204866.546	4465572.092	5475798.803	5646033.599	3577807.166	4386196.021	1638639.007	3511033.681	2304234.737	3311336.199	2726276.315	2971464.522	2075485.423	1935562.295	3609951.015	2960451.941	2313823.66	3246001.725	5030065.589	7173969.554	3206678.4	4117799.904	4356935.684	5168486.351	3900189.14	2470516.478	3495067.635	2656117.362	2408626.691	2698553.898	2428053.69	2532443.314	2387305.728	2976433.087	3035455.373	3584879.175	3578561.236	4573105.625	4246002.666	3933286.555	3468650.719	4350116.861	3708707.173	2517822.217	2903005.743	2701508.187	4491743.95	2426188.016	6089572.127	3890880.401	4088335.14	2488626.02	2371357.251	33118.77301	3948235.589	2832853.336	3533822.363	28452.3265	3352056.217	3566676.838	4045451.662	21568.36555	3624700.895	3059579.696	3977868.188	24488.85187	3241410.381	3236952.278	3567028.764	36350.00538	3475956.823	3237515.444	4524396.737	43422.94751	3196848.047	3161405.019
C68 H128 N9 O13 P3 S_2.347	3800639.872	5347068.381	4841981.043	4171174.281	2603750.869	2861721.847	3623916.532	3972410.277	3753842.828	2683334.163	2222570.024	9269790.806	6404399.959	6433599.026	6859937.294	8201320.408	8783600.129	7317797.565	6350830.491	7638239.791	21033275.7	12801940.51	14021397.65	12474242.68	14561046.83	11377996.41	6784783.489	12334258.35	10818580.21	13368005.46	3034257.569	4535307.063	3300710.007	5194917.686	3472966.942	3337560.906	2493930.365	3111623.732	2465100.855	2901615.677	2396038.444	6921545.849	10414206.56	8964766.924	3016204.056	5811300.345	4191257.723	4855523.084	3657345.194	3940728.875	7160622.093	3899707.017	4350694.463	3061309.939	3285330.389	3556583.392	2550145.125	5706310.844	7997684.972	6530502.291	8642495.249	8677217.737	5138493.81	8954362.508	3403760.003	2633102.746	3641540.4	3412289.118	3857534.213	3096778.005	3694791.002	2806028.951	3167786.568	3161581.115	4549945.532	2369853.362	5358252.478	5904513	6342222.018	6817271.035	5263335.969	5968521.278	5036083.351	7398479.945	3210422.83	4907804.041	5880852.346	4141177.673	4041025.842	3387267.744	5014687.174	3529304.802	4353387.126	3045452.715	3711126.539	7242192.794	7583861.144	9401674.94	6189590.618	4747218.507	5804714.853	8320749.935	15379397.21	13195568.5	12694369.7	17720531.5	14463037.41	17937476.1	16182529.69	12100416.74	9637015.073	9999648.951	23550.38771	6779137.672	6400413.905	5009812.838	23730.1651	7157916.345	7011101.146	6241072.214	18254.14225	6643332.549	4757618.026	7766041.463	20590.97702	6594447.608	6612342.851	6878548.394	21168.19843	4980073.415	6504236.702	7550408.711	21521.67673	6233855.369	5961413.511
C69 H115 N5 O15 P2 S_2.345	2255421.613	2262307.089	1873524.674	2530985.362	1551473.54	1590228.915	1608275.696	1632992.452	1960091.358	1359684.457	1450870.489	5169223.204	3878827.857	3495080.921	4886098.505	4163144.405	3984598.93	3282832.513	3195409.422	3394788.386	6985160.883	6723549.726	6034608.817	4939714.209	5030767.472	5599114.447	5179870.655	5007221.357	4244694.014	5656411.773	1668211.137	2101932.243	1639537.842	2153017.402	1589959.286	1715364.068	1335587.889	1452038.326	1513048.786	1745668.06	1506094.169	4930859.148	5167962.421	3590952.473	2462079.333	3008088.459	2774662.175	2146576.667	1665578.537	1740721.281	2603149.791	1930982.747	2949635.098	1489617.986	1849881.507	1664277.583	1360868.634	3525700.154	3135885.991	3425874.542	3785008.557	3918913.988	3224002.38	3168955.317	2848551.847	1832792.949	2017379.393	1820153.419	1659396.1	1514794.527	1728703.852	1529944.917	1482063.518	1826338.236	1856233.131	1369164.721	3256823.57	3802521.732	3573585.955	3130161.921	3246481.694	2741676.298	2804419.933	3996207.52	2253875.99	2556677.544	1648628.25	1705052.167	1726629.766	1860143.584	1651640.49	1661433.436	1609957.394	1724544.555	2153242.136	2819090.185	4149619.434	3617751.813	3332297.066	3092464.627	4349794.233	2633212.795	6933994.494	6641994.753	6063287.67	6359911.211	4799822.948	6418667.589	5644781.403	5352008.257	4492417.026	4208156.05	39720.16916	3444290.601	3304660.352	2824026.677	24373.40315	2113558.424	3575007.159	3997590.349	14553.62589	3172599.039	3070210.734	3394805.529	15787.44993	2912931.156	3044881.225	3031508.746	15618.87351	2606878.473	3335438.859	3788421.439	14506.78394	3167989.498	2866552.631
C7 H17 N O3_6.89	3367842.179	5482405.723	3192980.664	3045891.572	4741270.697	2877987.267	2881170.249	2376844.188	3999511.531	2899037.183	3211452.477	2386801.621	3314250.43	3311944.653	2705568.886	2483418.464	3227587.597	2939276.93	4387513.837	2831884.299	15447561.67	3328814.068	3612187.293	3264259.241	4616314.257	2165186.922	2613613.307	2643512.803	2721692.815	2706112.419	3489880.784	2177106.721	4093680.788	3045316.237	3497153.173	2879695.095	2736558.437	1576159.299	2166834.737	2790572.529	3197032.3	3276695.102	4234753.846	2514434.192	2685599.317	5281725.632	3745386.876	4816807.293	3019919.296	2641605.114	3398873.606	3683015.583	3065156.959	3661215.263	2918338.071	2344662.934	2909002.751	3234115.705	3077231.74	3380693.079	2524382.408	2810018.058	3862952.598	3035338.873	2926568.308	3184896.808	2150762.165	3375764.286	4335784.086	3598385.217	3381323.658	2993983.55	3616444.319	3138169.044	2879697.113	2938147.989	2861422.142	2847001.603	3114063.93	8510804.607	4184821.542	4074049.368	3177669.701	3581770.821	2948514.346	3324144.944	3296465.265	3420353.604	3747986.098	2359335.657	3328332.283	3100858.806	4450254.54	1822978.361	1819555.234	4568652.438	2949174.942	2390107.032	3470377.459	2926730.955	2219846.036	3375123.732	2980327.777	2178026.93	3309101.267	4069900.738	2945848.68	2339496.291	2812402.444	2216770.46	2780904.544	4167636.512	185256.0298	3659710.989	3173059.267	3566865.495	215197.8432	3110800.511	3545710.401	3589565.529	118224.497	3220815.462	3409756.115	3449041.057	183868.9665	3463414.087	3247525.275	3532700.672	10336.71543	3558267.949	3797679.988	3719696.821	154699.9874	2685591.989	3439751.672
C7 H28 N10 O3 P2 S_8.182	4283709.68	5932234.044	3186719.763	3488586.641	2251354.111	3385920.863	2713905.595	5241716.063	3719295.324	3499710.639	1808184.273	3536532.628	3133190.18	2440926.679	2616305.102	2228406.601	3543900.534	1860453.796	2118347.274	4561165.019	1715654.616	986945.5349	753487.6459	915089.2294	1194405.573	955996.1598	1057584.924	1109575.075	1407560.088	1977883.25	2061019.685	4553560.617	3266701.379	4954546.677	3876024.322	2261493.732	2549546.299	4025883.969	2664544.12	2179782.254	3044914.081	2596062.111	3515706.379	2259524.434	2756605.177	1352515.378	6081742.781	3850168.219	2239941.659	3866644.992	3185625.943	3694761.28	4062435.577	3466092.703	4456432.763	4316823.759	2577409.116	2431457.04	2500793.598	3358725.509	2899461.255	2914060.754	3215583.154	3127573.142	3387519.064	4224256.61	4642694.327	2927302.032	5697892.29	3300045.457	4343884.102	3947450.09	2744354.867	4760065.075	3757880.697	2369708.34	2170803.648	3710751.735	2768375.389	2539120.157	3084102.632	2517176.164	3578924.823	2219477.698	1788668.635	3969161.694	3269205.168	3469482.782	4014074.257	3020292.212	3668875.192	2426616.643	4282701.309	3035406.358	4872028.053	1810983.185	3506378.879	4225423.724	3759342.462	2851783.575	4384572.323	2992679.452	517689.0479	1428527.727	1111280.54	1691176.589	1180989.697	1225561.033	1333200.793	1636921.445	602133.319	746902.0496	7377.758461	2968977.676	2549985.362	2970373.527	9109.047606	2606636.563	2575935.224	3309962.512	11404.57566	2651905.55	2438511.677	3133377.52	12246.51612	2415049.677	2826634.054	3132799.635	14619.48919	2989775.115	3184281.653	2184208.026	22095.83872	1728737.032	3711111.569
C7 H3 N4 O3 P3 S_13.134	11414603.71	11324608.14	11257278.99	8026081.994	5948259.767	13099071.91	9620118.495	8716930.748	15872026.56	6497351.396	7723722.24	12333128.06	8135235.412	3959664.002	8202292.468	6884731.927	11580832.8	6480932.573	9562570.559	3694814.259	8831786.499	10761258.65	11560128.04	10362266.92	10981654.9	7777235.364	8462265.652	8099241.169	8143357.845	8474962.399	5609788.805	11426334.17	5450065.887	15776103.8	9142821.731	7874625.04	6322567.34	12753135.52	12455937.27	10632433.34	8076159.815	14484170.93	22556267.93	9464341.913	13313696.87	10369165.92	14610728.63	8620818.84	2741280.978	7950099.904	12305243.27	6449864.527	5257563.568	11631409.4	9748560.792	7832919.978	3833995.113	7860110.241	8124351.954	9182479.534	8053394.791	10516130.44	6113053.38	8866320.642	8095609.713	6065210.637	19742477.01	10554464.31	10399232.41	11468530.78	12477769.25	10776772.41	7203155.299	9989035.812	9471296.696	3751696.112	43313.98465	12081082.1	17800795.27	9051036.757	9834329.219	6122123.119	14304945.35	8458918.638	9197039.468	10629763.06	8373544.874	7545904.765	10407895.98	6862496.647	9694366.947	6087578.719	10269676.03	9608261.917	15120347.23	6196153.442	9134294.578	8657951.937	12467027.83	7203483.238	9321105.917	8108990.108	6787516.519	8920357.021	7539469.45	9667774.236	7280554.463	7362932.37	12284983.54	6833393.422	6503808.724	16075582.07	44225.75291	9438004.57	8980367.75	9239134.711	50536.75776	6841290.78	9458851.802	11108312.05	35645.53514	9080751.673	8613825.371	10582978.35	32124.97831	7022827.211	9307205.817	7350110.567	34366.94882	10457530.88	10011337.04	6994560.854	26178.18193	9228924.15	9897496.009
C70 H129 N8 O14 P3 S_2.363	37052481.82	54391903.37	36480458.75	34968207.13	22353869.83	17972295.31	23560948.58	29189909.11	30281161	27540758.05	23187598.01	94059453.34	69261273.69	63454326.75	76983317.52	88533971.26	85652624.11	68013754.38	64431845.4	90645960.05	192776843.3	90553910.86	147977829.6	132848860.5	136084157	144281821	147505984	176341920.6	161977500	174986836.2	28773209.41	38570473.32	29760642.29	48969090.08	28039353.84	28576885.64	22354280.29	29104201.49	30414478.94	28525354.98	25650777.74	93676230.32	133326897.7	87383468.75	52200106.63	62323550.59	44582204.59	37438230.31	32384499.25	25588371.34	46794838.62	33045110.88	38183644.31	29162842.5	41973333.87	33489950.26	24351761.9	66428147.01	69545910.84	91449863.97	69489230.08	89801821.95	78446445.15	69719895.46	61785888.04	23953104.57	23488798.98	26881910.49	29724804.36	26446258.12	30323546.35	27596669.88	25837276.9	29780012.01	33996395.71	27300917.6	55623772.35	73051071.39	69776291.53	63338696.37	65037706.63	61970417.37	70539399.1	61853390.7	23599683.47	28497843.58	39178472.7	36077149.21	40382838.49	27904129.06	26624463.06	18932630.75	37252602.63	27766384.57	40366242.72	59714426.6	87522847.71	81456723.11	65396362.42	69423696.21	69482726.64	54611566.04	144131478.7	141770122	122408261.3	214532093.6	144583944.5	264222421.7	170856622.6	162732073.5	150128188.4	133857377.6	31628.86271	57614313.02	70804580.35	74410578.4	26330.71824	64681776.1	62574495.7	75376004.17	23581.63262	69245356.19	49279380.86	65764290.58	21826.347	68621052.7	59825687.25	76375481.49	22527.30075	61931138.96	71977799.97	74145870.33	23641.63443	58387832.44	62282304.52
C71 H117 N2 O13 P3_2.363	48175761.46	84767311.04	60954636.56	55407593.21	45937891.18	42612682.91	32832106.09	50595635.98	47921033.1	39324601.46	39411831.57	122998482.6	112203531.3	90258389.96	134357351.3	92181266.42	174868376.2	103479267.7	115713098.5	132386557.6	284932242.3	171965892.1	215608571.8	221726859.6	174691296.4	205236289.2	196905956.4	222990466.6	223602146.3	258374026.5	42954708.2	63530903.35	44575392.65	76627703.85	25849539.85	63215337.18	41888541.29	46665377.01	63745748.52	48054489.85	41344948.77	81247650.06	192344881	132610478.4	91494536.75	106434993.7	55821646.09	54224616.39	48382007.61	41276108.98	93605885.19	37856474.51	67767490.24	46390586.01	59283986.11	53204479.17	38828639.58	100216872.3	100360122.1	126331367.6	121822608.7	154377076.1	156516947.2	133334283	100279661.4	40073907.16	42321343.57	44718601.29	58657447.89	42134608.37	51320167.72	45058141.34	36702616.42	54670513.34	52346515.16	35220991.91	74018056.11	104799706.4	121130817.7	93698969.48	116188253.6	100692076.4	135608903	110058425.8	39188945.15	71803516.76	54934293.64	58930059.14	55427300.19	51026610.87	46271086.99	51186365.88	62556653.81	40277598.01	65163151.39	94837907.64	155265105.7	167445096.3	118151141.9	108957864.2	116454304.2	95876158.77	93935223.48	181198881.7	164598201.9	316445374.3	185593951	308443916.2	258670006.9	231297628.7	188464317.3	196894661.7	26403.63911	115817798.7	100221536	92377777.24	26143.97072	99340510.46	93444055.63	123445980.5	22893.13072	97917076.96	108669510.3	120886338	62314.27156	99299575.26	94847824.38	97578800.86	33179.85796	92632158.4	115851965.4	120297995.3	24188.16303	99287514.7	96400591.62
C72 H113 N9 O16_2.355	1571466.054	1943249.213	1533458.652	1634248.606	971749.9636	1184658.356	1288688.671	1828933.991	1653161.322	920909.5238	1208644.794	3865199.27	3051083.722	3120880.652	6464800.886	2899047.219	4130712.281	3421886.676	3131030.086	4864530.904	4817826.382	4775662.973	5550978.801	5821423.131	4584496.415	5396471.583	5586489.263	5901222.226	4916352.384	7424463.624	1182941.633	1586849.059	1376522.563	1972299.308	1521597.006	1288780.129	1265227.753	1433666.79	1604613.149	1488467.631	1186722.193	2796872.811	5101686.571	3900481.478	1393892.376	3031939.467	1886153.51	1803641.532	1187291.652	1453238.866	2245442.724	1916974.121	1665119.461	1226481.566	1553939.999	1403015.797	1080365.236	3566396.511	3442482.977	3367495.025	3436914.34	3763090.978	3697420.541	3363954.592	3024087.884	1069903.887	1289655.208	1153254.141	1479570.393	1187870.332	1560100.675	1251217.936	1077822.211	1428165.463	1424735.107	1023553.839	1894143.079	3552496.932	3435994.364	2662148.643	3286167.266	2372837.148	3378263.513	3134601.497	1314470.033	2176505.096	1524650.083	1532988.417	1204712.684	1265340.436	1412953.075	1841092.411	1894344.706	1470924.32	1754551.703	2206858.051	6584660.519	3498835.181	3058415.793	3496308.064	3783525.388	2678315.654	5188281.064	4890127.114	4920899.851	8262759.189	5490269.55	7391933.748	5782734.21	6271133.069	5509863.217	5333138.293	21288.727	2746154.43	4251797.978	2972976.75	22094.21827	2596968.7	2973297.994	3171199.628	16402.29451	4260160.474	2957445.478	2499593.713	19537.07616	2909381.512	2755398.849	3062598.137	19561.42424	4149109.218	3332841.645	3456669.639	21405.70678	3132778.011	2756319.056
C72 H136 N9 O15 P3 S_2.353	11478725.25	15082808.61	14275552.55	14097534.8	7046901.646	8403496.492	11050891.82	10034251.72	11544338.27	7761616.351	7842607.853	31876151.34	24903732	21904943.7	22909915.48	20367754.71	29835493.98	20938078.26	19035582.62	23650189.61	68378715.54	49943581.84	54599794.86	51664527.25	50833685.19	49192651.42	47862617.79	46224840.54	42502489.83	57751541.79	6218575.471	10120059.94	8206166.777	14377175.64	5526966.117	10012813.02	7412857.74	10029767.3	9323416.852	8092743.761	9334596.36	25046888.3	40843885.56	29375309.45	9361795.231	19753774.51	13034436.22	13024002.28	11261732.89	12138080.73	14247701.75	9617000.813	11315269.67	8997923.13	10817822.53	5214100.998	7502076.849	21342147.25	19178678.75	23556292.59	22089853.08	16384382.48	23117729.78	21999064.41	17266898.82	6629266.034	10819682.15	9667791.536	12423373.91	6017902.997	10142702.04	8523272.713	7334670.733	9044841.167	13133573.44	8688943.402	13868429.43	20423629.46	26242349.61	20883440.25	25664040.09	18630294.33	12585681.36	17525748.52	9078899.161	14761884.67	11775244.42	10027156.5	9232000.499	7529699.281	9187567.247	9374654.154	10930907.77	7374496.876	12234152.29	23838593.67	31323273.21	28863583.33	22250162.75	17760596.09	12633822.33	12188656.82	37515231.19	45400583.67	45139801.74	74156331.75	25986569.17	57542972.7	46169895.79	41790039.64	43168641.24	38940300.31	28792.17908	19679537.86	22913671.2	22740185.81	28838.58651	18317055.09	16904617.19	17790547.59	23304.41439	22522503.91	20272698.03	25527796.86	21660.16396	18696742.59	17272656.86	21439405.86	22699.22119	22118482.64	20948725.02	22350920.41	32603.19833	16781540.11	20501994.67
C75 H125 N2 O15 P3_2.362	47003853.91	67706394.52	36209357.31	43769483.47	35149452.08	33172829.28	27368315.72	35005629.72	36413756.75	31962320.63	32641312.42	119169496.9	88396657.32	80562655.69	94855066.75	83900391.75	94195291.03	81807883.18	90520158.23	118855393.4	240268494.1	161414565.9	178115669.6	148752265.3	170694141	178669062.2	170285971.8	207638021.2	222712336.6	304054429.3	43800886.18	53996853.76	31342009.5	51846183.26	34832184.77	49758100.88	31292605.65	42901498.89	29743266.59	41283549.24	33908678.24	84000169.07	160090078.7	98862194.98	62285052.92	86001897.67	66772176.81	42571012.27	42480152.38	30466379.81	53766739.36	44898892.01	48403798.53	36250077.9	37761669.16	40255931.42	30132832.45	80937310.89	84149594.97	107298509.6	91398834.62	124157254.1	105837501.8	97915051.01	72636962.81	30717838.24	30610145.33	32265918.2	36674548.94	29925129.91	38203128.87	29219689.97	25955214.87	48371103.2	31055323.49	31235647.6	77032795.89	79482226.39	96272180.83	72139036.24	80355033.56	70403800.57	93312429.16	88998142.51	35484807.69	57253422.02	38940039.2	40917345.26	37975968.93	36909817.62	30940863.54	29058840.58	45240154.54	40433878.63	55134002.96	76874589.96	120531704.9	79295729.79	89060836.53	89111542.33	86264767.24	66694701.51	171550758.4	165308647.7	149971911.3	242138711.3	144608071.5	234366631.1	199242935.9	222751992.7	175254202.2	202926909.5	31694.40116	74780083.2	89415941.77	78059306.59	26557.9656	81041516.49	70218597.36	90000398.33	19802.07742	77789284.3	85715007.99	90923450.69	20626.57827	73683993.5	71452176.01	100701435.9	22947.98849	56484923.11	86909964.57	90889842.85	34824.35095	71199271.84	79130265.24
C78 H145 N8 O18 P3 S_2.37	7115020.023	7778042.861	6548240.808	5732471.244	4769242.672	5392735.237	5196032.891	5140778.282	8365062.349	5350058.637	4156413.221	13727243.07	10526303.59	11952994.09	6607634.183	7782037.022	17500916.16	6692937.929	6803623.188	14158437.35	31246389.21	21494670.47	28723222.43	20065341.38	26875562.49	27809225.25	25325863.99	29901898.46	29670485.43	42444712.66	8291664.676	6059726.304	3873923.588	6740909.319	5929490.809	7213301.436	4847525.575	5247528.782	4747924.018	5853618.572	4519219.743	12646209.63	13748506.63	10714779.04	7853417.834	7956164.746	6266004.018	7064457.952	5583923.279	5582132.318	6902255.017	6306039.253	6643419.622	4704677.467	6755241.814	5876085.213	4846351.791	10214183.75	9003691.443	8441639.081	8790839.923	13509475.52	10816728.73	6160508.596	6926076.881	4113521.431	4151534.087	5580107.107	6208392.172	4096281.808	7112215.119	5011055.131	4010644.537	5145735.829	6297804.743	4177409.244	6325663.931	7240649.672	7063245.534	6058858.511	8777287.713	5483988.947	9412663.867	6969474.414	3817914.383	6712648.165	4790202.065	6152506.76	6483448.889	6855535.124	5373383.434	5590829.344	5580311.551	4834853.622	6130324.478	6457379.911	11462104.44	12340574.33	10629324.22	11517169.41	9185145.657	10225540	23205318.44	19814953.02	20243597.52	32857861.45	22846186.83	36870541.09	33301447.24	28489579.61	31964804.66	23744772.47	29974.58094	7733361.742	9480608.873	9933049.646	23297.16154	8834137.476	8920008.88	6996023.044	20276.02405	10920731.3	8894193.965	8791072.665	20130.67074	7078479.668	9247292.96	9923761.901	21743.88579	9874395.44	7110883.337	9697450.761	22751.37959	8331331.151	9048783.961
C78 H148 N9 O18 P3 S_2.359	18857311	23327792.6	18668641.64	16212445.3	13356682.8	13383715.33	14010117.05	18199951.78	20568517.71	19985750.49	22689450.02	57168845.22	42868943.14	32847617.6	41935679.81	33569117.76	46408125.94	30262198.44	35235245.36	44452131.3	117568355.2	76634440.84	84117515.51	72671593.76	78202229.57	74232994.46	74710025.34	77014059.6	81651060.5	120915696	14693906.74	2756262.262	13116259.07	20019839.3	13310455.8	15035703.61	11338813.68	22846582.15	21890632.68	22877065.99	23678100.43	43152929	81745849.22	42132599.75	15787406.13	25621588.29	22064431.27	26429216.34	16188054.79	15241227.28	21796777.19	20273410.75	15811145.86	12277941.8	16946188.08	14370721.21	12337127.35	34706183.94	38994150.29	36751053.97	36661921.79	38861087.98	20063618.11	25713859.7	32705834.92	11778867.28	13465730.17	13674012.82	15333971.11	11481164.96	13798554.53	11966061.68	11156990.66	13691598.14	17058651.44	17937258.02	29271103.08	8058189.93	40717880.74	31539029.77	32683707.96	30812324.24	34888766.64	33733455.37	16300771.47	21780389.19	15731405.24	6971015.261	14155592.96	14260642.38	13873673.77	13652278.62	16922841.85	20052469.15	29638330.68	30838706.52	42191412.86	37364462.03	32988895.43	29915283.1	31354436.77	33474123.05	79141465.03	74714634.28	68639578.15	111040946.1	68207589.35	93585349.45	74214726.9	66050341.15	95921546.93	77472662.97	37199.61592	32192942.67	36014117.56	37910157.12	30488.51404	34312623.78	30936471.9	37519854.39	54795.12435	32942580.76	34465315.22	41850979.48	26062.05425	28041729.55	29348183.14	34927004.77	25286.80321	36013940.42	36563690.86	56245829.99	41961.08028	31593859.08	6971324.325
C79 H133 N2 O17 P3_2.365	19541784.83	29855797.37	24900872.13	26313332.06	23367112.01	21579824.69	19168193.81	18699357.14	21555091.71	19195364.05	17122645.41	57271040.59	49635204.29	40178780.06	57923947.79	53023101.54	69069495.58	55894638.19	45047594.97	69134701.4	129530467.1	98722895.15	144788640.4	123783634	98289261.8	114178817.2	108736790.3	125812989.2	120862062.4	151845935.4	19538203.23	31806093.74	19741138.46	29357412.22	21303490.63	16063631.92	19867734.1	20900585.65	19940397.82	23582167.82	20559633.33	55014791.27	94854989.41	63832599.59	38849375.16	52164263.7	22539820.04	23979754.21	16835149.11	14784752.44	32918013.24	23850430.06	24164558.81	21605023.14	18977657.68	21734262.43	18135735.39	46906609.28	49630564.25	46281946.57	48242076.79	60610244.93	58226888.49	55527721.93	47288179.91	14957782.87	19693980.45	21688164.27	23267806.28	15014074.36	19975232.3	15545134.71	20344593.54	17734633.8	22846614.97	18206145.7	35988248.57	41120420.29	46007357.56	46356018.24	43093035.94	43802541.31	60024993.06	53618852.92	23272965.77	27343328.37	21591446.3	25814869.88	20331836.56	22046990.39	18865880	20113885.27	21622646.02	14568113.34	25217609.71	51340495.01	62462721.83	58590472.22	51639628.96	50729047.8	46364707.33	39154117.08	97302432.21	116410088	99280495.66	176932418.3	114772747.1	185578010.9	138972724.4	129928401	97467717.77	103343354.8	29756.73782	47273321.01	46252569.41	54161221.72	70417.82046	48838870.64	43038738.15	32871538.13	23564.84241	50803833.72	51980672.39	67917517.69	92214.02042	32645703.24	44857424.57	46787326.82	25593.97982	44050117.34	51787039.7	54627920.01	27550.12939	42664258.67	44459165.17
C8 H19 N O7_7.956	10955.95604	12685.57998	13233.82805	12839.01663	18503.73621	17876.26432	24165.86983	38327.68442	37122.28266	55469.2257	58209.11168	11978.62848	11305.82502	10614.86772	11499.20396	11194.4278	19569.02175	19025.8867	26184.78164	34368.01678	12231.13613	12304.64041	13652.20902	14857.03991	20855.50542	15013.45809	28122.26293	23567.00499	25882.1791	28645.78838	2182844.176	1576027.966	2173315.479	3741235.886	2664459.255	2364287.679	3930203.636	1866616.664	1503147.25	2511958.896	3025572.129	5918457.259	11083931.07	4506916.504	10116001.63	11558311.25	13756.83967	43513.35639	9597.379419	13483.6515	24190.99493	23458.33401	50528.97121	51285.10718	46910.92351	25446.04106	36207.2762	16464.80568	42914.52517	23758.88028	41559.20481	77755.00161	137015.5698	53182.94811	40226.79041	27417.91303	28298.14224	14233.14281	37408.68134	26025.11406	25093.99831	52070.79252	48292.99168	37483.44253	32625.52481	92403.52836	134915.7811	105180.965	85846.37131	50265.3914	17207.02272	39687.25582	63089.21986	49531.71026	25541.33989	37105.20618	34044.37548	18808.23955	29973.94461	23150.07307	26953.38158	23670.5991	70918.83976	49165.52247	71528.42461	57351.57763	53277.77206	56332.67716	124326.9297	36963.39921	61824.48651	180678.7926	6744230.517	1981958.314	2847832.691	9392102.379	5928457.715	6736389.881	14851352.56	8689473.228	7349802.569	8127963.146	3241.504774	946934.0752	1215031.762	1123822.102	3910.669581	1154200.841	1117763.384	973850.9207	5603.338168	970282.5017	920684.5022	992414.6226	7140.776017	1000803.898	1126310.52	1161491.508	8854.668621	1178265.658	1796901.431	622944.4959	22147.21299	565659.3849	1268351.84
C8 H4 N10_13.069	7485919.057	7516554.988	7381352.234	7116158.127	4937471.516	6504454.13	7347612.776	5706724.137	8266103.877	7306908.284	7390251.465	10251572.35	6935807.435	4763146.579	7221181.213	6878588.998	5553859.879	5033085.474	7535908.562	5469078.44	253497.8481	4368111.068	6865226.134	6556208.673	10005267.08	5218630.283	6173327.911	6181943.24	7481845.088	6498378.435	6135862.119	6269496.222	5520763.406	6927536.908	7279252.101	7354344.764	5197717.404	7705951.192	372707.3494	10684985.71	7752663.171	5104716.642	8953270.735	6729623.546	6993981.531	8678991.703	7414279.346	6746128.034	5123211.593	5246803.096	7792349.381	6114640.012	4544534.071	9081797.487	5987157.12	5900176.105	4493808.783	5842222.015	4113753.7	825786.6191	5762332.149	6837551.054	5478904.556	6796851.373	6502346.676	6691899.755	8869341.947	7303710.242	7509048.124	7099299.364	8284386.704	6864102.938	6341960.251	8760004.63	5630150.409	8824157.822	5045300.683	6989934.496	8031171.265	125781.8415	6740631.372	3704711.818	7123982.758	5234934.148	7110473.97	7099360.691	6312525.434	6809981.907	5761340.747	6217606.947	6895776.758	5125876.676	7481432.675	6811405.968	8756198.359	5258922.428	6325098.547	7041349.556	6922772.728	5510720.974	6397887.467	6241244.786	5917892.906	5722960.376	6434601.23	7067971.854	5946718.02	7266001.803	6881747.589	5106148.767	5983767.131	9264442.357	111025.2176	6268660.505	7013429.194	6768442.996	126292.88	5506129.268	7403002.473	6227527.141	106643.1408	6294251.116	6431975.544	9749723.202	92892.19263	5120509.315	4994656.842	6915546.403	169435.4882	7433013.406	6509095.606	2940320.277	175550.2797	7637601.739	8080917.515
C80 H139 N5 O17 P2 S_2.357	10029638.61	15028059.03	18374781.28	15320692.31	8038728.109	8462595.554	15628584.18	11675394.36	17086539.52	9023257.195	10922891.52	35705156.21	30317540.29	25045896.83	33349389.45	26192092.71	41758662.63	27748592.76	29580431.43	46133840.48	80994114.57	60131679.24	74234877.34	70044178.88	70697149.48	70650737.66	71563262.46	70302969.1	64856406.48	87454525.77	9224565.741	20762518.82	10155277.78	17759778.08	10678628.77	10892636.82	9798916.293	15236130.06	10943673.65	12462633.38	9351811.921	37230036.39	40737437.03	31402536.4	10267493.61	25875430.7	15987214.5	14235400.71	11320487.76	11097590.49	19164407.94	14364160.2	14833786.62	9651738.016	13453697.3	13609750.1	8796295.294	29939681.67	27108926.46	39275708.07	31411159.27	31116774.21	32547261.13	32401952.07	27369404.79	9951155.366	8540730.791	11649814.94	15664527.3	9879600.169	14545032.07	12121141.71	9130972.246	13476667.88	11400431.76	11786577.76	20926951.61	26628579.32	30234537.89	24936336.41	27076005.25	25354888.98	28722452.2	29132822.07	7212124.645	16455834.06	11992785.4	15891402.47	13833564.61	13345079.13	11907974.23	9024815.881	14941040.94	10242254.74	16627039.32	23747122.35	34579841.25	32185775.25	31007042.11	24348196.81	25838375.76	20677058.57	51374910.16	66239607.96	49441897.01	93750358.15	60199500.99	84214226.93	70978637.31	73183250.21	63519712.28	53975587.2	26852.0373	28895872.92	29757024.57	29195225.85	29661.39708	29870086.29	26473571.55	33872165.45	21444.56906	29453975.08	29703593.32	30878782.4	25930.40634	25089279.5	26547357.12	30623987.59	26168.89953	28506794.55	30621340.8	39152506.91	30222.66994	23616016.01	26455352.86
C81 H137 N2 O18 P3_2.367	13807056.37	31486431.33	22034500.14	13789959.76	9969696.695	5519926.223	13226711.38	14260566.28	19838946.76	11919465.03	13857599.55	54103719.09	43105158.67	31521892.4	36320627.84	30167645.79	42120453.26	27314149.29	29142958.08	48049488.62	115461551.4	32151696.99	78649867.02	76356692.6	67983727.43	69286568.83	62350503.32	75752946.63	88245134.48	98501280.96	17399037.38	18439475.86	13813197.54	18769154.98	13666627.93	9962045.545	11673348.15	15967077.14	6525183.569	10537172.87	14379780.53	62759459.93	67466989.97	36679448.61	17159542.75	21015294.77	28113547.29	15539785.24	20972992.11	17289323.26	15368558.13	19024604.5	20756401.59	14846498.63	10627980.66	15302481.76	13371251.27	33399629.16	27116281.36	14864910.69	24462977.59	25211030.68	25816616.08	21577017.4	25730539.43	13548697.57	13967967.55	13678130.29	14603663.37	12629188.24	13678142.35	14488384.92	8241726.937	8707480.748	15189884.48	13252132.08	32952663.96	29541777.99	28061341.18	12054767.92	27447810.72	26251773.59	28583017.03	27904141.24	12057609.33	25568535.53	13729753.07	19036124.72	15233781.09	15982784.55	12538513.25	14512259.72	15943652.63	10575631.75	14194150.15	41939333.94	39262620	34369204.02	30277455.81	17700548.05	23695169.11	26209739.65	78886862.97	69809883.99	66178072.68	99419669.01	59231978.09	97057790.82	61879581.67	80699918.24	83046609.39	79889384.49	43235.94491	25822585.64	42475446.4	20559756.03	30233.67494	29350963.1	28047638.85	38245291.12	21634.55716	30996331.42	24443968.66	41896874.92	19242.92178	22237001.31	29298727.82	34588648.15	35440.25214	30229889.12	28865190.7	33576499.52	30244.03909	23544115.66	32442546.62
C82 H126 N8 O13_1.972	1241311.317	1771205.39	3164719.866	2003025.072	1432313.072	1983647.005	1375520.391	1716920.015	2059473.06	1305339.377	1635679.605	1715816.119	1283278.424	954155.9363	1028409.286	1054298.726	1004946.646	1073883.022	1353796.875	1405133.821	260780.9195	129500.5559	277241.8902	220039.484	237793.0819	197722.6298	136920.3261	487364.0046	288317.3219	227736.5831	970326.7317	2583140.884	1578765.255	1538375.571	960003.9923	1231696.918	1028822.176	1536867.256	1741276.826	1218259.306	1231563.914	1103359.864	1287328.178	1282542.89	681712.2834	909031.8675	2053032.13	1617284.434	1204932.161	1576194.532	2072914.554	1818131.373	1833491.249	1934759.182	2295929.109	2089255.984	1227941.655	1135788.552	1310317.767	805243.2308	1481604.312	1192291.491	1693078.724	1000318.345	1419792.259	1351167.814	4735827.964	1622420.437	2009699.885	1730466.285	1761933.769	1277583.696	1283968.7	1679858.008	1690155.259	2220068.046	1061949.539	1287690.459	1896268.948	1049582.922	1277665.43	1269106.192	1173954.456	1477546.6	1212045.024	1642639.206	2017444.192	1936538.646	1805780.409	1577379.71	1416659.035	1190824.089	1938861.407	1566039.62	2254579.638	886292.2289	1126471.391	1328695.598	1242748.154	1043706.882	1715591.944	915592.566	188448.8222	311525.2298	172043.6728	210810.966	152398.3407	390014.1555	346583.0076	364001.5022	211039.886	265071.324	26411.65358	1431647.358	1241189.665	1788171.298	29701.05864	1358793.39	1272145.568	1295061.176	48448.79873	1264865.864	1697860.199	1706925.767	34867.42796	1150461.523	1366655.332	1286373.852	34514.73582	1287447.405	1756473.797	1391925.15	41825.41854	1256959.009	1449369.119
C84 H130 N8 O14_1.973	1710036.698	2503486.296	3536937.061	2439563.419	1661673.277	1932437.112	1572091.626	1999905.217	4187125.163	2149988.738	2538854.276	1975068.281	1341052.2	1103442.836	959246.3308	1110760.785	1081906.279	1298314.026	1804778.568	1749263.963	239903.8281	228835.0826	381403.4174	346507.6245	177529.9799	223049.8237	330947.7589	810242.0877	263418.6004	277038.0957	1301627.157	2871402.435	1837238.195	1907929.193	1508168.73	1503539.323	1396512.747	2240777.077	1995855.512	2136614.847	1802734.438	1195323.951	1380397.608	1548013.106	748130.5208	1340274.183	2159952.842	1907523.671	1351510.994	1942665.902	2630912.399	2224606.37	2311681.572	1791715.321	2754330.079	2305563.498	1508154.918	1220759.533	1647838.662	852769.2895	2094278.739	1302348.891	1732710.429	1810181.687	1777551.168	1487027.7	5021700.312	2110027.606	2372439.347	2136615.065	2108822.328	1735935.542	1675073.013	1813108.566	2276218.693	2539843.159	762360.9184	1688114.597	2272866.129	1238544.39	1704601.267	1398125.838	1480555.984	1526321.555	1312638.679	1789541.768	2578162.363	2139735.777	2552016.218	1734704.87	1815473.591	1499146.053	1992432.561	1895302.255	3003586.465	1150369.567	1455497.304	1407084.831	1738102.049	1515638.687	2299023.092	1285485.901	262672.0685	279081.9819	136467.8548	486063.5507	570474.1382	502862.3088	382740.9267	471987.0895	225064.5122	268258.346	23537.36135	1726657.606	1517030.278	1584470.355	28367.26041	1795060.365	1659273.244	1523566.811	47385.78213	1414302.891	2011467.527	2118296.485	34143.34838	963296.2217	1795071.517	1411409.075	33394.12304	1579640.442	1939862.721	1844499.508	42936.8037	1591846.002	1427010.48
C84 H140 N7 O15 P3_2.36	16840294.94	24811645.03	22077715.89	17763545.06	8427164.172	7674208.348	9775492.217	16981533.68	14910382.83	9362700.083	9963363.545	42029736.44	39066835.64	34488529.4	42100604.89	32798715.07	42433333.95	30308451.02	40214072.84	46104671.54	113110557.4	74551784.13	86358964.04	70140766.09	91096558.54	83147023	81296221.23	90348806.98	81389668.79	109488471.9	12016272.79	17061136.41	10744460.2	19513859.93	12890655.86	15274692.85	10004540	14540684.74	13964358.06	13338841.95	16437577.98	42212419.39	55978552.36	48007760.75	13322951.53	38093119.84	20616194.14	17387166.08	14204110.75	13546237.42	20852548.08	9459597.908	15880018.84	10673536.64	15166731.67	16173111.31	12532676.4	32968423.46	29736345.16	36741248.35	33719598.18	20362922.12	39220765.65	36527165.28	30347970.51	9467007.916	12800832.18	11355652.95	15996698.96	12852259.28	12395831.2	11770793.56	11375039.04	12175329.43	15016850.01	11130687.46	26121427.31	37556479.8	39876109.92	30057693.26	30974934.64	28147899.86	35256176.09	33481494	10706223.61	23369596.31	12044688.48	14468975.65	12914392.43	12466985.38	13201478.63	11095920.37	15338525.47	12314881.59	18080911.31	27135561.81	41035850.68	34892835.89	32931344.86	31268159.46	30832341.34	27887496.59	66254340.85	75180084.24	64252172.4	123158964.8	78978850.93	85427633.98	72069695.84	76788436.61	77594305.41	66034427.19	30657.25564	36805696.75	31058158.37	31893778.8	34496.0444	36789180.26	32586918.5	37584522.54	21345.68341	32833212.36	34269109.38	41180661.21	21459.54364	31030212.72	31816373.56	31945919.46	24464.99941	35580296.34	35881274.73	42808472.54	27528.29076	25721920.45	34051300
C85 H152 N10 O14 P2 S3_2.368	1721771.199	2619834.795	2553032.049	1727408.514	1276831.794	1676222.854	1318612.538	1474715.977	1467265.227	1263839.785	1582774.719	5217834.548	4478977.397	3626399.456	4349855.029	5758053.844	5911211.077	3300098.475	4614472.077	3873305.743	9112077.756	5943373.173	6087200.063	8220367.667	5314939.495	7902739.034	5469713.964	7199230.778	10477352.19	11695113.51	1524203.237	2148977.712	1315902.975	2079428.531	1776174.994	1672045.229	1454663.55	2030684.446	1374808.912	1759582.474	1354561.465	6119734.802	6863175.7	4362988.932	3115466.414	3853981.7	2014427.773	2025190.414	1861825.022	1752677.049	2765742.199	1831307.214	1689023.309	1458658.121	2127145.606	1973496.566	1271571.646	4119890.723	3876428.625	4234319.878	3551530.936	4022578.124	3517135.42	3844861.899	3748160.722	1343968.978	1371188.915	1274357.875	1550914.195	1261242.932	1517976.542	1309000.19	1059541.836	1476874.063	1568469.487	1557073.441	2514776.677	4039950.295	5356062.81	3888522.843	3660988.418	3017979.133	3714326.358	3568955.184	1498025.065	2274153.134	1403150.961	1539847.594	1712987.442	1563653.112	1492281.126	1664647.237	1628880.293	1351643.635	2006185.437	3205509.236	5080197.039	4466707.267	3481877.333	3399895.498	3589240.191	3424212.367	8540166.161	9150228.185	8273203.149	8132938.55	4501430.102	8918404.678	5241766.173	9250702.734	8764461.988	6066831.986	36849.85123	4270375.217	4210787.222	4541906.299	30312.68973	3984884.026	3703402.942	4616339.778	23838.21235	3921629.953	3392881.922	6357691.397	20547.33378	3494924.282	3492664.089	3916140.275	22366.46595	5019414.398	4160139.869	4248481.153	25680.49976	3880860.718	4181277.294
C85 H164 N9 O16 P3 S3_2.31	1290598.619	420996.9364	3370816.817	7532525.457	7372662.543	5903973.006	4203311.629	3768131.488	1188281.289	3646089.733	2411741.993	8965892.252	10235895.98	9321315.328	15521195.8	9673416.441	25001451.84	6872130.758	10084206.56	13919068.18	10948732.21	29475425.88	51197107.84	44104092.28	83506774.72	56220457.35	42083321.58	27716464.41	27099058.06	41500510.92	1624273.985	2169836.602	1523625.676	14563689.51	6279718.083	5542768.993	1996381.725	4121517.052	1435588.517	968148.6944	3919568.855	11894180.93	7298952.265	745139.3972	1519127.598	9823820.639	5944917.691	137145.3069	4187403.494	1960927.33	1202806.442	5140583.976	1318155.818	1801378.485	6467277.201	1122155.78	4362468.047	3411235.921	3079532.98	322271.3575	25431748.1	8803219.584	15798166.67	12248572.33	3041652.698	4122770.398	933104.2308	6011696.426	11818249.85	9397719.312	276235.0282	7368431.349	441928.176	2266979.676	4633569.968	2813924.786	6166346.794	3552396.524	11155297.82	12762738.11	17444533.55	15526468.22	12562020.86	9305282.518	1252893.639	6603040.216	4258162.403	1843518.228	9133375.38	1457782.363	4728805.64	753941.2413	179233.1649	989205.8698	2220833.026	1088643.724	21008563.38	30119793.54	24585505.24	16265599.41	15213618.61	8200803.631	720003.7909	40560810.71	31352827.67	13815282.72	6433237.742	68809112.28	45162532.61	11408384.17	23864612.14	20593063.77	9271.493943	9182372.697	9784492.534	13619386.55	11074.10684	11618488.71	12014056.4	1323592.267	16476.41463	1863477.519	7751772.443	7050424.504	17133.56085	4444689.831	15901220.01	14815787.73	19384.81	5284636.421	12040174.94	12144036.21	10301.12667	10746869.18	7007187.692
C86 H142 N4 O14 S2_1.977	1854224.809	2186256.905	3145087.643	5398510.34	2122713.911	2277242.23	1886660.745	2364314.592	3536427.089	2418815.986	2437476.155	1888329.067	1627975.559	1847494.489	1343896.47	2400504.664	1494007.496	1318771.694	2165904.767	2114365.952	461160.7851	357136.4835	438409.7733	527785.3779	257905.4118	348726.5501	363875.0579	643203.5372	791627.9302	446036.5595	1519655.453	2324619.133	1997080.317	1940342.295	1880806.914	1793174.962	1661830.827	2359778.327	2428991.327	1992569.378	2359990.593	1443591.795	1784842.854	1841664.892	932851.7348	1643082.249	3016365.819	2272571.823	1678736.34	2516406.979	5755558.428	2110578.286	2209760.39	1767887.236	2579317.375	2603637.531	1582871.772	1720874.395	2526380.889	1486236.581	2151371.789	1611444.316	1772031.475	1794807.568	1462126.921	2024578.103	5836779.301	2074453.647	2461163.02	2433897.438	2113519.554	1599305.524	1794892.271	2117500.768	2204250.501	3015355.403	1426934.532	1814558.546	2222048.334	1699856.195	2237870.445	1342041.49	2273111.3	2133671.896	1420127.797	2445823.282	2635417.718	2678556.457	3191029.339	1905590.497	2216550.578	1626568.184	2204375.069	2317954.691	2960592.194	1407366.285	1350552.722	1848382.867	2142976.281	1846525.332	2307828.003	1472482.456	398216.9045	490754.1762	325617.3062	536697.8551	324084.0382	575488.5361	652923.6231	768617.3787	309321.274	577981.2698	29155.13238	2065124.425	1422015.013	1958201.044	34383.20922	2039090.933	1659144.398	1549785.849	54536.90237	1837135.175	2416393.03	2048816.182	38721.01263	1542750.747	1273433.194	1782533.511	37624.59963	2039877.994	2465263.698	1804081.317	50615.06506	1604432.757	1684903.594
C88 H145 N6 O17 P3_2.369	2113301.19	3737947.725	3680744.094	3074816.731	2478947.161	2979127.14	1958274.815	4031255.945	3511386.104	2407865.494	3221622.885	5776237.55	4578067.281	5036486.508	6508559.496	5396444.529	8637348.974	8097223.127	7038285.183	8630457.483	13153250.94	11101828.77	15985279.04	14515644.48	14743347.03	12974697.56	15785870.15	14154989.43	20797907.45	20982831.95	1878513.096	3690216.582	2390342.539	3793667.199	2762058.366	3107925.391	2661674.444	2983196.25	2608376.917	4193852.489	2603040.132	6374505.384	5382057.517	7340020.263	5594723.138	6769381.894	2536033.253	2514691.053	2384010.16	2795390.014	3987526.035	3396763.186	4456876.541	2807960.064	3879369.393	2850370.947	2729802.886	7767512.924	5822501.337	8495170.528	6320401.539	8770379.35	8690016.495	7910299.816	6572470.705	1601624.277	2997344.69	2480958.172	3086385.88	3218917.93	3570618.192	2275646.651	2532900.387	3062897.479	2957058.861	2050590.054	3201038.253	4794122.26	6794760.422	7622147.038	6355558.343	6477090.71	8900695.807	8063863.164	2714658.895	4061355.697	3263666.7	3340727.854	3734770.199	3871128.294	2525920.351	3545732.906	3455695.736	3062159.185	3255711.91	4419515.852	3913907.115	5024510.959	6265004.226	5373589.334	6503735.975	6755455.705	7744365.026	10775167.82	11479653.22	20116390.29	13708545.64	19561558.73	20732042.2	15326443.22	16378528.94	16440955.47	19507.3497	8811462.534	6064884.143	8241607.091	22249.27239	6562954.525	6450436.2	8414608.303	21796.91916	7558640.992	6801680.626	9213417.749	20536.10843	6699717.406	7028214.658	7781340.67	21870.4467	7391392.156	8860894.767	7904108.302	23826.1792	5734811.408	7752978.151
C88 H148 N7 O17 P3_2.361	10284146.76	17313125.49	14957347.14	10804448.43	12130434.9	8858751.294	10402280.39	10628981.93	8561459.489	12032400.12	8684613.188	30882455.5	27432704.19	22644966.79	25408393.22	23199909.34	34328751.96	24938018.94	22352776.03	28389824.8	82183974.67	43408990.98	67854890.28	61468498.47	62648259.64	68282562.22	64968396.68	65424525.36	67189726.81	98478715.38	9121203.649	10001146.17	8085105.061	17310402.78	8669153.521	9583810.396	6574284.517	10131565.5	9719227.929	9384003.518	10019379.21	37583215.25	46976304.29	30852695.01	19290774.97	29167781.29	13555023.95	14612228.39	11575816.29	8050278.852	15366302.24	11782587.46	11450244.68	10105804.43	9291366.124	9886885.366	8830299.238	31245042.71	20647269.33	29349117.3	28781246.59	29220211.01	24061280.98	26128273.56	17330230.55	6444559.255	7601766.755	10731568.55	12372187.01	8475777.402	7824894.7	8618599.162	6588453.41	9894081.128	7166269.107	9461450.581	18723304.76	14607896.06	23875249.79	17401481.2	18099682.47	19314121.17	25448788.16	19993940.57	7763801.711	13374955.92	9989813.487	10005727.27	12666923.6	14433661.94	8140000.688	9356232.464	13936328.31	10616832.58	10582182.19	20513794.71	33573004.81	34412081.35	25295252.57	31448405.89	19798251.86	21482370.79	55822620.18	55519411.89	54112298.23	79525951.31	60681938.42	92709754.73	75479034.75	58057451.62	54586288.08	49144535.16	33337.86482	26661397.02	24997627.27	28872265.39	28695.95331	24411208.39	22564922.85	28108463.09	24627.00286	28598031.66	30903690.48	26779779.07	59129.03289	19292698.46	22690936.05	28880384.93	26858.32538	25292236.64	29172163.93	29481840.99	27108.4798	22466983.3	25661419.24
C89 H123 N7 O4 P2 S_2.349	6919553.484	8154274.274	7542299.38	6306633.814	4899591.939	5518029.008	8366981.37	6638706.339	7482984.138	4318319.849	4577678.551	16131904.16	15795178.73	16945406.03	7036860.782	12749545.99	17001934.24	18012962.23	11051978.21	16164821.95	39784164.95	27637650.31	31500730.35	24719245.57	28402797.74	28449209.57	27415805.33	25406547.59	23337046.91	30448873.7	6314368.308	6009263.946	6627812.964	8498149.565	6020465.03	6295006.433	4785405.215	5688743.415	4889417.718	5595509.449	5000527.233	16169644.48	20290008.4	16984694.63	6429455.157	13432266.59	7260838.045	7686798.558	8950366.368	6835977.23	8448289.776	7940752.668	7915524.229	5725669.953	6903961.537	6556023.485	4867260.799	15183323.3	14427486.51	15599594.11	16623475.65	15551478.53	15249967.31	12305243.22	7586819.9	5420319.731	6445992.541	5301675.631	5280350.929	5598198.632	7191350.416	5574746.412	7035481.366	6264701.691	6205342.141	4684948.166	6596337.38	15971959.08	16627307.45	10220737.96	13202174.67	12517521.39	8919619.658	11715283.92	6552699.971	7559013.783	7043015.257	7521680.015	6486003.801	6389451.004	6166004.947	5886225.478	7167400.191	5837433.156	5455826.55	11805407.65	18510006.19	17738695.05	13819676.42	8377381.115	13608711.71	8224562.76	25712142.86	27386325.86	25254417.24	48692521.77	23701930.73	37253517	31965818.93	28919092.37	22796948.72	19712327.72	28404.79494	10568428.83	13701109.78	14320004.52	60452.70597	12060530.26	11353893.1	14684276.9	17047.04869	10758015.81	14454377.31	14821325.28	21416.99019	8137743.633	8722023.893	12406736.14	21697.86264	11975202.6	17122525.08	15588670.19	22102.91093	9743261.849	10762578.22
C89 H133 N10 O6 P3 S_2.368	7963829.423	9746293.006	11402016.39	7701682.673	10452393.03	7684202.665	8984909.159	5210087.571	4135515.267	10795742.62	8894178.587	26512669.24	23969844.77	15536184.11	21978899.07	22008286.94	23491956.28	12215805.35	18318450.25	19773363.9	61278162.61	40890823.56	48731968.86	45984479.94	33651848.39	44730812.1	42937008.08	46877686.27	60341199.82	68312150.47	9300129.978	12187286.38	5284497.584	10144435.82	7439934.262	4098778.017	7490581.531	15944665.28	9237540.907	6488017.63	9737068.09	25569307.62	36501897.65	18920424.79	13362032.92	16194171.2	8597171.249	6653853.666	5237496.94	5324218.819	10340132.14	7248965.516	7732636.801	7789170.662	6655063.853	5344173.166	7523914.167	15011995.02	19589494.65	19194507.15	15378785.13	24372861.68	24739318.14	20651062.06	18640375.67	7620065.042	8896483.345	8685017.24	6919947.366	6865543.18	6044032.629	6182666.048	6555789.999	6512710.814	5849113.962	8649400.016	13935195.18	21562954.23	24337323.4	18761220.72	16611781.38	15571520.63	20352733.83	21159061.42	7393252.25	9922761.609	5452335.638	8316926.837	7485643.988	9030465.277	7011571.914	7088068.43	6737130.68	6482418.015	12318489.89	16009180.8	21759558.46	21356631.36	20025644.96	16278002.18	15931226.79	19745847.53	40956492.71	49144946.57	36419367.33	50363623.71	42948070.68	60358665.97	48612180.6	46792715.84	52175432.09	45861205.86	29527.03196	18835924.06	17739769.37	20948963.76	25279.12897	18421452.01	14665185.32	18295641.42	33202.50353	18052544.75	18058887.07	23987500.67	24674.75452	18714806.93	12929887.63	24467848.58	21050.35462	15830605.33	19492151.29	17778144	29455.19751	15076197.77	20115408.57
C89 H172 N9 O18 P3 S3_2.357	2205168.403	4597444.875	3186825.508	3957541.135	1906851.775	2272315.568	2489423.131	2217229.287	2306482.724	1742686.499	1606494.804	6411755.294	7322968.542	6005225.652	6693680.932	5760064.356	7688719.581	5619368.894	5654624.947	7926825.089	14972643.16	9990185.727	12922053.31	10618814.87	13540133.52	15314102.62	16175577.14	8429786.63	10314420.86	13798781.69	2343811.956	3025161.255	1920679.465	3411937.497	2083097.198	2842952.172	1913266.773	2261487.877	1833290.418	2231853.692	1872708.911	7847088.819	6506528.342	6786271.958	3071589.228	5451153.982	4293446.859	2502777.311	2256178.251	2376848.099	3249413.002	2841658.487	2646149.912	2393962.668	2764031.4	2101271.742	1746291.162	7629741.83	5642598.128	8550174.928	6030171.132	6220246.91	5581288.336	5972540.99	4930438.033	2151317.979	1787753.549	1671656.484	2756185.157	1801729.901	2259545.923	1858601.329	1903425.089	1826327.161	2203048.265	1766574.919	4230515.699	5636950.2	5553652.328	5554973.634	5951753.921	5287311.781	5625288.72	5950893.093	2143684.068	2698654.09	2486938.541	2620620.37	2460830.927	2505256.478	2109265.354	2377698.032	2221251.325	2029964.701	2403850.866	5820723.83	7088771.061	7152969.786	5963775.882	5461900.059	5613369.414	4426835.357	12861705.35	9841212.993	12914898.51	11608571.22	8293619.897	11135656.1	12513458.82	8187881.93	8995549.329	10468003.01	28463.73325	5678531.423	7634048.925	6059879.027	23189.21523	5175264.575	5544900.764	6858009.68	15685.07874	6591813.789	6072385.019	7109518.361	17645.55607	5048717.417	6738637.536	5786570.477	19633.92459	6066559.39	6635323.83	6684932.872	21408.9545	4842619.29	6707983.949
C9 H15 N3 O5 P2 S_8.207	1837140.796	3311503.49	2565836.698	1593542.617	2007718.591	2239980.748	2742218.708	6564941.965	1401061.433	2706296.906	2717406.54	2638391.157	2759281.692	2397260.004	1406986.139	1484589.129	1826404.121	1766305.967	2936901.933	5144330.583	2092905.716	878119.9672	1187207.467	881826.812	1439378.985	1521854.615	1629565.273	2353761.143	2631156.686	3273982.904	2057175.849	2278093.022	1684756.611	3080403.745	4015818.091	3203856.469	2313859.973	3226319.255	3289509.842	1915651.155	3271875.522	1348556.946	2251884.683	1489792.701	2081472.471	2193243.143	3199121.744	2394816.313	2102999.522	1617424.229	1884999.02	2116669.845	4980186.78	3505036.08	2636185.788	3379912.411	3018689.718	1435676.087	1566466.105	2437788.925	1885605.54	3030919.97	2657644.34	3602146.375	4345254.994	1703666.148	1659799.871	1828152.01	2334400.526	2182709.182	2684786.198	2890250.985	1879744.142	3954935.255	5050360.271	4444395.229	1738130.667	2692747.421	3232987.298	1782219.54	1610929.681	2079332.216	3861014.38	3260502.165	2028383.597	1419041.271	2453937.396	1918691.2	2530307.653	2667577.774	4525897.712	2680495.584	4130335.214	2143141.759	3671922.196	1849875.028	2163364.254	3364208.169	3873168.942	2116716.002	3496301.917	3586018.244	949630.7942	1184953.364	1346072.285	1260800.989	1819994.431	1248114.758	1701209.973	1910294.871	1099217.406	660711.2262	8504.176962	2174297.627	1730806.881	3161382.967	9962.133031	2670588.404	1291855.341	2187666.361	13296.06201	2209280.502	1500199.049	2485321.337	14034.54173	2425505.244	2242355.036	2249071.479	16674.20001	2633155.621	3131515.729	880381.1967	34257.12048	1233223.978	3745513.918
C9 H28 N9 O4 P_2.514	2409226.945	2291706.464	1498669.881	1299977.12	845912.2718	1154527.557	885473.19	1551830.809	1962447.239	984839.5585	923318.8454	2378174.367	1637359.673	997107.4681	178877.7726	1288285.228	22871.09338	1155905.49	1170894.514	1596400.545	13277.93571	368295.0154	364433.5345	340506.8365	318059.7745	448084.6247	344859.2997	475497.3291	452766.551	417856.8656	1368989.499	1657996.048	36259.15077	184666.3568	2136986.55	1308426.826	1144693.244	87249.54967	1735195.675	1144241.006	1141974.865	73862.33893	183481.5382	2014834.024	1885424.121	1555317.539	1926831.572	1308376.079	47662.819	75054.23452	81800.39339	65657.76412	111765.5454	42842.58986	45918.7054	1745412.265	798973.5479	49383.24488	29705.50034	50039.11759	1192828.475	53765.48705	1509557.193	54594.71908	1375022.591	728863.7508	1926834.881	939376.0683	1371237.569	1056913.294	1485907.107	908249.0937	805382.1238	2174271.603	1020201.562	1013594.565	953195.8827	1479928.878	2064669.255	836330.6143	969245.2233	1013486.434	1694913.882	992019.1344	1136571.318	67974.89539	1055310.408	1058405.089	1056820.022	1088956.499	1009610.438	987973.7673	1955414.174	1245894.284	1977977.423	1269801.339	1707433.316	1554605.665	1291002.06	1146279.156	1606742.865	1029147.947	30921.29868	35588.46061	387166.2468	714693.978	380491.1267	741848.1384	605315.8999	453525.6881	327940.7481	496089.7365	11361.69752	1221836.481	1324128.426	51102.21426	11270.99408	1085604.265	1185424.665	88378.17237	15424.49543	99937.40164	1148167.68	1382285.884	8719.487094	1345861.015	1061608.15	1184129.433	8689.991805	1315460.759	1278793.493	1243019.391	10831.55392	1010759.234	1305672.419
C9 H28 N9 O4 P_4.406	2796656.5	2166761.724	1642985.185	1419865.547	945124.8154	1422231.336	1089770.581	1798232.505	2042202.838	1209067.247	1251728.684	2609765.791	1717584.472	1198960.619	2402040.874	1494396.77	2351635.852	1441353.024	1620388.944	2105467.214	552677.1097	383675.1018	369090.1441	382026.9234	308381.6457	527621.3416	420259.9771	593670.2098	520864.8893	569900.2406	1175652.083	2139812.545	1349127.43	2519040.784	2441995.57	1637112.281	1468450.413	1535235.152	2200349.893	1316090.446	1463476.61	2227659.927	3265764.363	2291542.997	2667300.219	2003328.518	2064152.237	1591275.336	1175556.802	1335479.891	2018208.513	1281288.263	2629897.506	1441507.427	1355670.142	1974793.082	1015302.727	1202310.305	1161547.31	1259008.911	1521862.28	1595966.471	2198238.129	1328016.517	1721838.086	959786.3384	2140840.427	1066524.088	1701488.856	1185585.527	1833132.158	1225187.753	951226.938	2625373.371	1452374.403	1269966.238	1145694.994	1830618.054	2209851.693	962877.8183	1157378.294	1237247.633	1927075.18	1147286.808	1107342.881	1954637.595	1313085.824	1233171.425	1382399.711	1252581.898	1420441.716	1329823.975	2453709.402	1587805.547	2480061.322	1386323.766	2068054.112	1875907.174	1587304.498	1258474.909	2001367.271	1613214.197	541677.3824	487127.3698	401169.8583	807109.6058	451799.859	850374.7625	823490.3211	695945.8647	484233.2538	622442.9568	17312.44097	1528417.358	1616215.421	1460758.166	16425.53175	1369070.993	1416177.582	1549701.421	12966.94561	1697630.226	1499990.463	1583150.411	13343.21851	1451531.672	1398960.424	1514563.259	16748.45489	1563362.349	1497842.865	1741934.274	21358.84104	1409888.938	1413937.09
C9 H8 N9 O4 P_7.676	7123485.068	9026736.107	6851711.743	5831897.917	4944335.757	5523951.501	6905328.863	6940444.982	9269050.672	5182392.261	6066213.798	7999622.265	7021653.958	5284606.697	5095404.269	4608214.687	6576725.028	5692546.426	7692489.766	8454909.162	6733333.821	7183542.117	7599436.404	6424829.264	7383014.537	4173399.307	7514362.836	5628115.409	7178828.819	9202053.276	6254512.325	6107666.93	4537590.379	9649990.732	5472694.006	3473676.445	5733392.203	8627739.165	6139994.282	5876089.599	5848438.297	6974565	11707404.74	5744905.709	7139448.214	6744479.05	6153414.12	6791159.603	5237227.629	5609019.232	7390915.561	6419845.833	5101016.73	7239577.284	6259075.244	5834480.746	5201320.892	5956642.6	5185362.481	6384888.714	5767684.8	6295988.335	5605383.658	8583172.2	6020021.705	4607952.249	8211037.13	5243450.256	6403883.452	8307628.117	6399328.448	6845065.379	5067627.993	6139849.766	6986604.101	6165523.008	6827204.647	7424061.078	7614548.866	5513518.499	6652785.149	5052389.987	8211920.8	6852359.018	8315494.49	6339337.587	6221608.247	6563036.752	7172756.958	5072620.167	7661574.751	5228272.109	7569288.518	5616331.359	7991271.627	6261214.488	5638742.588	5481500.787	7906947.107	5233887.129	6687250.203	6698874.835	5727120.453	4936998.742	6059974.284	6719334.17	5181868.497	3355418.599	5914842.586	5561807.14	4692404.059	7650798.197	54340.86542	6365060.293	6503587.265	6917387.341	182817.7078	6237920.895	7003906.312	6879742.559	277069.3429	6473541.462	6499475.078	6194117.593	335584.9972	6182155.464	6187410.15	5706598.592	1589043.604	7472645.829	7680577.641	6970298.019	147546.0564	5732094.87	6383989.828
C90 H150 N4 O16 S2_1.98	2162392.39	2184670.881	3089602.325	5495030.243	2090509.74	2493530.599	1816030.407	2016771.433	3298968.025	2030237.554	2826457.593	2515204.702	1771134.023	1749166.8	1376328.695	2066045.28	1816304.505	2091738.651	2121896.925	2649428.985	602207.6783	529265.187	411402.1892	589736.5307	298671.2847	396528.3307	468910.477	1065851.894	490544.4398	591198.2377	1769937.952	3883079.037	2272762.571	1861406.792	1685930.956	1959986.441	1602048.967	2304194.527	3288032.872	2016584.843	2231994.995	1658184.641	2670368.751	1898625.505	1229902.686	1586729.071	3148350.657	2498017.739	2066806.143	2557814.145	3102238.399	2044947.982	2606145.975	2645772.373	3313690.743	3074597.165	2036575.959	1923416.454	2750323.554	1709404.487	2673241.36	1723042.263	1772398.658	2074769.376	2036571.53	1801267.298	6573990.109	2315745.323	2933378.359	2446312.747	2868809.967	1964281.94	2064483.991	2173222.941	2982228.127	3693719.672	1784113.452	2313212.498	2548894.022	1753882.861	2369590.663	1871584.904	1546241.401	2330635.706	1539557.974	2290347.93	2708158.718	2661493.413	3014964.918	2185731.9	2267028.082	1717147.537	2655770.759	2418511.263	3390668.498	1481089.816	1508467.53	1930830.662	2398928.538	2128217.421	2926784.505	1670484.113	434619.3265	549746.9213	413682.5025	571315.8846	389414.4551	911491.9019	795101.1288	1122958.617	396089.0778	534135.7161	29262.40143	2191008.165	1937749.724	2269418.558	33383.00022	2151030.241	2009841.811	2148788.792	53773.57741	1836865.137	2500679.23	2535116.475	38884.5183	1608762.418	2002452.385	2114745.657	38386.11641	1920432.745	2399640.33	2258194.714	48907.01018	2201915.977	1851962.018
C90 H152 N7 O18 P3_2.36	8870351.716	10236589.13	5954835.11	7195645.268	9417710.812	7212624.066	8535495.593	8881769.199	8604473.809	6964388.743	9828700.458	23470660.63	17361442.81	17524600.62	22138825.67	16158028.8	24100044.75	18299833.84	10916026.3	21669590.55	57036011.28	48607720.61	55650372.81	56573029.47	64752439.56	51000128.7	49706357.03	57488199.87	36292983.73	66635797.61	8684516.31	6894187.867	7117491.943	10931204.75	7836433.746	10432403.64	6253004.106	9473026.964	11944677.67	8285878.327	6773116.413	17209536.44	27046790.67	17945665.75	7425925.698	20371232.83	9783203.471	7528777.591	7767068.24	8380963.698	11832530.18	11374538.03	9716377.243	7883272.889	9371055.23	8277015.446	6736899.464	16129525.85	18615749.22	20632222.04	21373974.43	16360087.28	16645218.76	17406812.78	17953603.37	6642047.1	6448756.924	7170545.379	8347567.425	8992320.601	7996567.444	7371716.476	6558069.011	7825599.641	8802337.812	6525093.81	12240850.87	17547410.29	16130399.85	16621961.05	14297565.55	12365657.47	16661894.79	22998550.65	7196946.155	9104509.067	9206926.722	7461433.76	8588244.743	8625857.591	8006797.338	7958448.863	8685067.646	8108118.018	5712783.608	13944868.87	22444150.58	24174168.43	18753376.13	17917605.27	15645427.12	15613163.51	42045358.1	42242826.68	42704490.52	65198319.32	45400177.44	62285060.34	50524859.22	51261340.89	41674488.42	35767998.77	27447.34178	17168494.44	19638320.93	22988608.79	25276.15898	19472381.02	18119648.57	20525624.61	24139.73045	15850912.86	15193944.67	24497040.04	22076.39495	17779196.99	19013937.66	19369082.26	23580.96406	20166967.88	18230022.42	20750815.12	26638.33212	16850830.84	19605336.26
C90 H164 N9 O17 P3 S2_2.36	3736199.496	5720300.095	4627338.522	4428928.514	2912927.343	3188292.012	3656383.207	3445925.849	3575249.365	2594149.066	2886041.242	8742289.774	6683469.515	9244886.6	4248928.102	9053742.612	11391201.42	7477519.124	6193009.255	7845677.137	19709506.41	19851641.59	24555926.45	19410562.11	18987153.81	23421091.93	20170223.85	19665211.08	18743134.66	29018895.2	3411366.647	4777435.532	3284970.041	5676976.271	3679603.053	3280508.533	2814212.634	3528384.684	2811828.464	3335010.88	2858284.059	9220232.656	16733900.9	6813688.191	5076010.265	7509759.654	4486512.526	4547891.139	3975413.618	3823688.444	5879612.028	4693238.78	4074521.463	3106332.852	3648386.068	2922343.586	2920497.564	12890661.31	9370678.215	9116101.785	8365780.214	9180985.137	8215357.874	8070906.103	6547607.861	3176253.789	3544918.146	3138911.593	4015687.659	2928305.314	3949838.708	2702571.28	2534584.23	2640263.881	3253154.711	2421981.952	8385115.409	2354716.518	4777924.929	8816010.483	6122876.707	7194391.734	9080653.806	8277694.224	3266909.021	4801389.42	4080156.84	4444091.475	3546257.232	3358441.617	2971458.472	3511815.305	3380873.345	3148451.907	3466908.779	8500792.627	11767331.64	8209332.552	9563132.588	8524279.22	7336503.052	6780540.932	19877510.55	10365486.39	20843631.02	27488575.75	16635935.84	25830724.58	16059145.27	13852102.19	18148882.92	13262068.5	26400.19793	8354653.253	4129346.156	10332364.78	24722.90252	8864802.848	6995235.855	4941481.535	21942.24654	8946539.834	5781641.298	7333952.385	19081.10888	8501146.545	6060984.444	8204067.972	17564.61274	10071979.83	7161933.898	6462207.228	20090.42841	6821179.562	7824951.385
CAR 18:1_C25 H47 N O4_2.414	4424100.69	6062208.716	7726337.123	8893814.457	5391818.899	5803317.734	5714883.407	4448647.874	7290440.321	5130536.669	6409638.509	7373708.349	7776343.357	3010878.332	4729353.407	4043677.533	4570961.461	4038167.18	4780405.299	3705100.19	179793.052	118130.0194	88700.98421	97941.4769	89822.23658	89397.83269	122865.5137	161749.6965	215460.5261	117314.8809	10348603.81	9887811.118	5487642.95	11595251.29	9977671.919	11558573.43	8551636.158	10473284.81	12014708.5	7826351.41	10952891.57	2451861.671	3357864.196	2371178.697	1078489.351	1313341.19	5015718.549	7082329.24	7680254.057	5889472.769	6442487.378	6510361.296	5461947.095	4993652.977	6490276.055	6911224.95	5730147.65	3272141.768	2626404.427	3191172.464	2757622.307	2985194.635	5820203.685	6424775.435	4445312.132	4267914.842	7222925.157	4742511.161	4285136.331	5034057.554	4402641.457	4978966.562	4145030.439	4994703.375	8019712.347	5387180.493	4059687.494	3773984.965	6287443.719	2844468.59	2550208.558	6254131.809	4019579.088	2996555.869	4970556.179	6792974.294	8220280.388	8137172.08	6590914.476	6307529.375	5822275.2	7311367.684	4095948.053	4151838.27	8017670.092	4829002.477	5456519.041	4438843.85	8120997.473	4738971.733	6095283.211	8022500.533	950652.7819	124812.7818	386192.0089	591934.5649	179102.3063	362941.8791	726172.187	505259.9977	89284.08626	1497686.211	8044.839353	4476669.908	5104221.925	4830598	5032.219864	4398555.928	4784109.16	5330613.493	5431.845089	4491143.637	4734482.463	5022144.204	4827.8407	4270886.812	4545465.438	4747898.082	5680.637187	4867793.179	4965323.405	5322024.455	4918.48706	4188128.914	4637573.419
CAR 18:1_C25 H47 N O4_3.47	1162542.082	1581388.665	2489503.474	3073236.916	1430000.857	1515682.373	1633838.579	1319566.738	1754842.531	1687374.148	2049512.191	1806590.882	2272914.682	869416.1927	1543411.739	1353240.727	1473675.226	1298955.496	1403813.356	1401572.469	25394.83975	33715.06587	15730.42887	28157.03078	16844.56077	27106.83209	31345.59066	52443.09346	50175.241	13471.06912	2776743.599	3005935.836	1665591.497	3443464.071	2619174.388	3447243.79	2516321.073	2910226.575	3973776.893	2066256.595	3298105.688	709117.9216	898982.2167	729681.9748	385369.1991	388534.1505	1425697.021	2080942.861	2497396.449	1436799.347	1598219.581	1501193.316	1506265.412	1665569.393	1794481.298	2261469.863	1430053.579	967389.5485	746750.827	1000894.646	791028.662	952108.456	1621812.478	1826215.104	1310144.675	1398688.062	2132427.403	1439078.523	1389412.604	1851103.817	1511076.026	1522530.094	1158105.431	1322003.602	2591007.621	1779078.623	1367323.816	1267073.89	1871185.285	926217.1442	834270.3052	2251921.516	1395852.953	1026208.897	1381336.141	1906155.086	2499928.391	2875065.979	2246018.986	1886939.343	2168388.576	2590401.875	1267691.811	1400155.871	2546913.663	1384932.373	2054666.845	1422683.923	2641647.054	1191167.089	1830909.565	2623650.388	297485.916	45929.3553	110636.7361	197592.9294	50261.10622	96572.95193	323967.926	224543.3893	28060.19805	589691.6961	10924.96046	1516380.94	1522791.847	1353928.043	10027.32162	1523877.464	1558895.326	1436886.676	8143.383312	1446770.598	1479237.859	1638374.202	8109.186508	1556963.168	1444752.399	1349826.179	10280.71235	1488576.145	1493348.578	1711116.678	10920.87667	1339751.115	1481349.4
CAR 24:1;O4_C31 H59 N O8_1.951	99042.18578	135757.8649	105833.1553	116652.5483	71970.95587	90585.75399	30241.82107	68455.2257	53855.55595	47155.55081	110230.8868	2324293.231	87500.52999	45752.17621	66880.09396	96444.60799	97792.60987	58895.57514	76535.94111	38725.39195	90276.99052	28590.65386	40729.53035	45889.37814	36930.65493	30140.53171	17904.36894	28880.40308	39635.28819	74104.7559	45870.46669	140909.6143	77229.77858	51864.74395	72180.43222	56672.26959	68780.66368	63836.46994	57783.6189	56277.81375	77153.24189	61953.59336	116741.5317	65222.5318	40243.99125	48802.33522	49224.69126	70332.65647	77134.87548	69178.31902	146305.6314	79225.64626	87000.15437	87287.98704	121964.9867	46294.54305	114768.8522	69010.10481	87733.43919	62164.06218	70967.90145	89284.89097	59102.4759	75333.93915	46381.35903	46316.90659	134110.3153	70105.41591	79633.69114	86342.12329	96630.9133	58499.73122	50063.98457	63240.2805	101876.0228	73546.23138	38568.68233	83670.9403	61523.74845	50260.59659	115625.8491	84948.83279	48839.45982	62348.06126	35363.72377	115949.0472	147597.5575	135127.9381	70015.54257	74459.38008	62593.35534	65197.83305	86788.79465	62049.39291	56806.0514	32691.42768	103096.821	84540.01978	96603.703	62478.50303	89999.66823	83146.19901	44410.2003	52148.88615	63298.37913	67320.43647	37994.58963	52577.21885	40295.87066	25325.68703	113342.9145	37521.40471	16398.95343	79396.80179	43952.47346	105973.9302	21986.54047	93404.0657	42522.51418	80693.64611	41340.90132	57912.12736	123307.0682	87104.95157	27584.61532	47974.24654	85267.31196	90585.71244	23680.52606	106696.7564	63968.92107	82317.38552	27756.97295	77879.97487	84842.40019
Casimiroin_C5 H11 N7 O2 S_8.207	6618514.499	9912857.587	10839274.77	15681019.05	8990502.351	9651757.887	10934095.35	14097182.83	10791090.83	19917068.65	11024399.23	12311494.63	12227363.46	10574977.64	13077784.85	12304206.24	12902203.95	8267361.917	11643053.35	11256053.35	11164691.35	12026786.01	11615986.56	10091355.65	11628502.84	6388067.044	10189920.61	7516178.822	11659631.29	10243275.02	11847225.48	11275434.17	10678774.31	10814299.31	12960134.54	7879299.353	7857882.108	13169795.56	13100298.11	10490935.87	9905152.646	10264788.45	10556944.93	10331708.62	9415192.623	7650049.893	11149448.43	14414619.89	9819072.439	13576125.99	12324889.09	11215844.9	10323609.87	9928119.042	6927272.436	13707720.58	10471491.73	11566288.94	11548329.18	13726698.13	9924388.695	10214079.34	11517825.01	11965822.52	13419275.5	12043711.52	16914114.53	10475163.06	7866506.675	12519088.89	8674932.49	13388530.79	7511674.141	11388601.31	15033026.56	13790213.08	12292365.08	11737260.64	11388740.01	13576425.89	9712231.257	9907587.818	13131876.7	14968475.56	12534305.46	11998092.37	11142799.28	10035693.05	11498338.96	10538825.56	14641358.43	9815542.889	13242326.2	15382972.15	15366648.36	9199185.174	8711841.151	11535291.95	12755519.58	10594029.24	11160030.26	14567163.58	8879589.896	12269059.28	11989637.19	12567288.91	11567293.86	5547204.286	9225709.918	4741545.168	8553250.222	6392049.869	253229.4071	9450546.663	11462711.91	9463866.106	153289.0737	10127281.29	11207454.74	11626829.41	550224.3142	11217318.95	9898243.542	10364597.4	193829.4973	6640129.614	15339707.37	8786034.798	793629.0893	11804613.01	9513208.785	9996936.852	334383.9102	9630744.146	11119177.08
CHOLINE_C5 H13 N O_6.8	10350575.33	14681447.09	15204978.48	16264238.98	10386834.23	10393082.32	13584558.34	11881868.06	16573538.94	12199262.03	12757396.24	14878442.91	14940655.45	14124126.18	15869861.87	9417098.732	20714820.76	9460703.644	13584220.09	16811021.03	13210949.28	11934261.31	13952063.38	9147184.817	28196626.6	14553245.37	11233023.21	10499578.37	11846928.03	17530531.42	12324203.91	12597606.14	12456615.14	15051825.61	12718487.29	9982473.622	9659058.315	14588080.49	12477654.79	14165266.19	14265531.41	112568209.7	89585385.47	45660806.79	61518586.14	108071649.9	9586656.83	13604826.77	8451012.476	11157837.37	12584033.86	10345485.94	12374941.16	8793477.881	12987023.2	10153611.29	9311618.149	9243680.032	10828702.69	16467902.18	11977490.06	13576792.27	18346846.71	11185876.42	14257909.71	10505671.09	13542294.66	10599989.02	10646548.52	10717100.97	10861829.73	15667055.92	10058242.07	10991034.23	10720436.99	11092568.32	16108136.49	17174578.46	17962360.27	12718754.51	11035925.62	13131264.56	14356458.32	10421192.06	10755485.9	15149036.67	11249951.36	10823100.06	10015988.81	9004566.608	15384307.57	10214533.55	9938076.971	8053604.85	11325819.95	6986247.43	11078815.57	10216357.44	8806721.083	7531310.828	9538042.866	7016696.205	15274267.52	6703387.645	10307166.3	15145973.64	8309884.458	9733389.879	18409918.47	10611194.92	10252069.82	17289670.26	949811.883	16788524.03	16033544.89	15929903.09	57463.74668	15007174.71	16829468.94	17018575.61	72096.99615	15884262.86	16568520.33	17026669.66	89205.12358	15243908.43	15631456.41	16245808.71	69050.64048	16683461.2	16692108.09	18375112.9	61970.96326	14126820.36	15778045.26
CITRULLINE_C6 H13 N3 O3_8.133	252705.8892	504857.8489	56694.12536	80210.56126	118157.9517	32561.78577	119292.6804	67723.0832	90323.71807	105775.6218	46242.15056	245406.6541	155481.5064	139713.9574	81572.02303	114340.9181	1321566.986	189020.187	118235.7791	76009.7309	2105285.59	141575.5157	201799.227	130831.0893	399674.461	108021.4943	174876.1663	126231.9101	162995.2792	157274.2636	141019.4557	82155.84505	390143.941	74913.83841	56655.41138	213240.7584	233585.1967	213107.6863	38210.47866	44882.99622	47115.08243	121714.9505	666602.3014	275519.6239	86108.12058	41023.21703	179470.7222	123550.99	153999.9868	130343.7418	82736.75738	117739.7497	51542.26552	119670.7182	43266.93999	66636.80689	78393.60194	201935.2993	117847.7365	115608.9125	146760.1422	92360.81913	166411.7679	99349.0346	116616.5796	89661.36797	267709.595	346163.2138	164404.2955	118756.7004	41937.73746	113240.8287	100532.6975	136984.2843	72965.72506	50631.56258	188563.6321	206348.339	67504.11159	128317.1546	305001.2153	117441.1509	101349.3229	1476932.965	532427.836	351018.4347	136320.9864	227028.7329	92510.42756	162543.8626	168880.8855	163728.1699	174035.4285	36587.45335	314884.2162	725457.8197	114220.6526	111994.6294	114750.5012	99082.31133	77560.71639	193223.552	246473.9682	118837.265	121669.7174	312179.3695	172174.674	58685.2924	695557.2979	215091.9964	103515.5561	79548.22089	37296.74937	262200.1355	260091.9447	281924.5832	137862.6511	307873.6511	198298.6135	281193.0704	20333.90862	284211.8041	256417.3504	240312.0623	92230.29047	295459.8525	234863.2537	256563.6077	81572.84844	341073.9836	343913.4814	197745.5239	189637.0642	160560.9194	336210.2421
CL 81:14_C90 H148 O17 P2_1.978	1749801.959	2274025.227	2887378.784	4903948.135	1942333.867	2809482.004	2089472.634	2336917.36	3396754.142	1844298.447	2497142.214	2248253.298	1503767.492	1486449.438	1120838.961	1815644.74	1420424.697	1740839.279	2465013.359	2687143.961	467177.0702	434850.9019	506988.1967	483629.5018	352018.4787	384206.9961	478282.7387	1010505.487	636011.7045	587075.3585	1429506.017	2172422.766	1659769.579	1981975.143	1759018.017	1613593.37	1871919.522	2463524.688	3282034.669	2566284.624	2091137.085	1653324.86	2860003.502	1963275.244	922325.3582	1499702.216	2679854.478	2005093.762	1366031.071	2388244.844	5768401.142	2134469.693	2274162.11	2446444.803	6395355.33	2788177.249	1853211.724	1650268.558	2770945.999	1679664.578	2616509.009	1677646.427	2309387.201	2146245.045	2075625.415	1645724.525	5109312.194	2322259.023	2833158.432	2497097.775	1803666.199	2151626.109	1965974.072	2449824.633	2040052.568	3318330.691	1160499.478	1827460.098	2796143.063	1826283.378	1752740.451	1666647.984	1553419.634	2183757.978	1491275.156	2082567.695	2666007.089	2700207.386	2534061.72	2182504.433	1775742.021	1816052.285	2682148.43	2398343.692	3184711.882	1462301.809	1609511.954	1769470.033	2572100.254	1832078.531	2367370.38	1279839.57	380278.9029	548471.4544	334309.8081	812653.7666	395769.1242	758881.7686	660650.6126	1060567.922	399825.2861	544721.8633	25852.03717	2135058.662	1619130.593	2171390.83	29947.24072	1799243.161	1936330.818	2084624.737	49065.17855	1972718.945	2441753.912	2420676.257	38578.89329	757278.2759	1808523.664	1807385.282	37296.98482	2229713.431	2284369.11	2394595.34	45770.72978	1567148.361	1795855.053
CREATINE_C4 H9 N3 O2_7.449	1025216223	1300015944	1424005823	954039465.2	772439642.8	857889853.4	721306679.9	853025689.7	1058340247	823857143.7	850844720.9	1060407494	790205629.3	695165556.7	848484006	624906125.3	985316206.4	638006776.4	728351530.8	861612970.8	468472664.9	323240082.2	317349494.9	377710302.7	531237334	477032913.8	309831198.9	503978588.7	322106922.4	589391978.8	1523658128	1993964803	1690655958	2180290275	1652370241	1025598257	1345390887	1640881753	1619193962	1349228356	1378524325	1888203858	1897805375	1421029257	1694532757	1254699819	1026501894	874402436	486913415.5	859425525.7	1080099795	779059361.9	933298874.7	800595833.1	908983192.6	841795285.4	771342747.7	601925863.1	701476557.8	930087353.8	796054256.9	815870164.8	842523015	630341180.8	743430525.3	872304344.8	1082011149	833100691.5	927936343.8	897437802.6	1011948554	896502561.8	637365625.6	1033474672	588603218.8	821438802.2	789604907.5	940331154	1044756880	966751855.7	677324728.3	680300108.3	875993892.9	535856509.5	795138458.1	1055768780	870748160.1	1030487178	974048950.2	728834665.7	845585435.5	631557939.3	864768306.7	852333718.7	1050289708	668396790	1242375692	1108505951	1077564401	755688941.1	942814193.6	695932868.5	260333242.5	426265816.1	471634733.4	599438556.3	369304717.1	316119987.5	476370581.2	440971726.5	344833269.9	376006787	227134.3146	934039100.6	973016967.5	951231106.4	154864.7251	845887278.9	941402867.8	988007449.4	209964.3901	942810900.6	933991673.7	980205046.1	208336.7051	983714402.6	901175305.5	875486341	25167.89201	961846433.9	935981681.5	1084004192	210995.7677	818836611.5	934400666.1
Creatinine_C4 H7 N3 O_7.461	2592070.758	3177364.415	3488324.177	2342642.46	1826026.734	1976672.706	1997814.407	2156382.272	2208786.367	2067569.632	1995518.692	2619675.803	1882747.158	1751889.265	2005409.274	1456755.813	2340675.716	1468775.949	1762318.081	2184588.224	1086794.049	727082.3369	716514.3984	863747.0244	1189584.279	1047036.396	714490.6287	1213295.442	710436.095	1538500.484	3863977.816	4727643.743	2958778.595	4969315.583	3796979.032	2451068.464	3188875.728	3167245.538	3647001.608	2951243.267	3428756.243	4598657.141	4611053.386	3238904.253	2580879.858	3271377.669	2476239.507	2106226.12	1142652.717	2019796.25	2580631.43	1753031.452	2396148.935	1939413.956	2062460.439	1981415.217	1497436.212	1355210.775	1405165.199	2108744.947	1845422.352	1846379.73	1970714.174	1235799.522	1750401.447	2046756.94	2486416.658	1928141.185	2153760.844	2124559.498	2314092.782	1895986.175	1473794.475	2345517.707	1469959.765	1991851.175	2028267.622	2185762.844	2407156.608	2776172.144	1514365.06	1512804.549	2032454.672	1004899.413	2016725.555	2861419.432	2199502.403	2295929.838	2399074.302	1638287.165	2011328.509	1403553.08	2156784.304	2180676.192	2420298.376	1574594.049	2539274.005	2471368.373	2585292.103	1695544.165	2231425.211	1689115.323	611429.5949	1005356.833	1025723.076	1388872.839	761334.0434	789753.2352	1117125.004	1007166.881	843299.844	866335.6705	10384.99496	2302329.264	2135035.125	2153906.154	18235.93285	2064526.411	2191861.527	2315334.489	10995.03158	2211367.765	2239143.015	2237866.138	7598.785009	2129220.097	2146835.932	2179177.832	6932.206416	2290731.394	2305503.523	2461581.707	7678.82689	1886760.892	2119655.724
D-(+)-Glucose [M+NH4]_C6 H15 N O6_7.417	3029601.494	2865218.467	2303046.445	2102423.835	1546203.009	1804420.593	3257124.882	2130589.144	2108290.462	2151344.275	1289402.793	2728324.442	2121232.993	1354097.658	3627155.66	2448828.622	3237076.004	2236056.161	3845806.688	2418902.288	1770616.941	3359523.528	1919230.232	2146286.83	2107821.15	1491946.277	1693891.49	1849081.019	2400152.376	1892013.095	1654393.979	2287693.647	1151367.144	2612793.254	2101765.376	904879.9109	1652182.647	1471881.136	1649035.279	3524114.173	2171287.445	2245600.752	4288591.615	2569088.669	2099639.78	1842634.731	3325662.683	3255093.758	1107730.167	2058485.017	3562681.417	3791794.431	2126613.431	2497825.821	2196607.088	2801281.743	3787242.744	4504274.26	4195171.481	3324875.881	4205097.538	5900979.004	3912170.362	3226480.633	4074958.031	2160493.108	4643344.494	2986172.651	3462297.592	2789299.258	3736665.483	3230939.701	2747905.387	3007965.285	2467026.924	2705717.567	5640056.379	4527995.084	4375932.621	2965926.443	3119838.816	3394263.854	4526960.079	2368494.5	1910691.6	3241820.324	2072236.918	2277632.553	2654576.58	2532993.278	2774966.463	1831546.534	2923101.143	1860993.216	3297401.168	1976163.159	2737656.245	2821254.113	2587768.245	2145683.6	2729052.302	2545005.233	3341103.641	2398841.081	2194727.175	3884935.646	2645646.334	1334435.099	4068501.15	2298929.451	2436822.583	4052006.52	21363.65554	2955078.784	2172156.79	3385651.578	10425.24503	2409925.543	3039886.201	3067242.719	9920.842313	3089273.039	2196336.388	3186772.664	11664.60401	2555340.877	2754020.926	2685084.976	9939.405108	2808886.52	3052673.153	2915611.988	26492.63988	2980104.306	2390009.53
DA9185000_C12 H10 O S_8.383	3719524.504	4826976.394	6675573.119	4019244.63	2114567.278	2556826.307	2835951.739	4473910.042	5202036.373	3221732.5	3886928.798	4253106.542	3437847.741	2630667.007	4182372.194	2709065.766	4165879.571	2020734.005	3043477.872	5062403.151	2374346.05	2392589.196	1413597.873	1640481.041	3214493.952	1533296.553	1710637.355	2395219.632	2268102.056	3823762.9	6884280.175	9593524.158	7122434.686	7943231.447	5648495.359	2524382.785	4078386.803	3270037.967	3309660.679	2435642.623	3093923.587	13591587.53	11600434.87	4991104.026	5191858.545	1851142.381	6362323.504	4004385.203	1391150.385	4103534.5	5126079.453	3793052.497	4360399.288	3900128.884	4305348.87	4307494.71	3620634.905	2611595.356	2746007.146	4678495.859	3264224.349	3776777.662	3788767.035	3098455.426	3551925.538	5256065.108	6405681.321	3250767.618	5560319.936	3838643.464	4813823.959	4144657.936	2984046.994	5499852.059	3319011.327	4737674.503	2957908.681	3778031.72	3971635.759	6130693.651	3072242.934	2640865.601	4329445.78	2829724.234	2480869.537	3835094.546	3102182.093	5244420.489	4197355.899	2815567.701	3117037.347	2595454.422	4241338.647	4201583.683	6443827.045	1966269.14	5806791.07	6324460.285	4732898.248	3429851.446	4538488.99	3580105.948	1892575.541	2454846.74	2967364.519	3688312.121	2149317.369	1425994.196	2666870.735	2303636.709	1229760.898	1167973.165	31020.5634	5049347.894	3971276.135	3281522.219	16249.68886	2957663.045	4995197.991	5144883.441	11590.62669	4396002.069	3906080.396	4842688.967	12449.08217	3801906.614	4209874.655	4024347.614	17911.97256	4349785.723	4392447.449	4828169.647	32774.18936	3193684.584	4120891.275
Deanol_C4 H11 N O_6.834	36818556.71	29367761.31	31068095.26	26252354.82	30428446.7	18231703.55	31499508.78	30224621.8	34831195.94	40400562.7	41756056.08	23774988.09	26267158.31	29051452.55	12029902.14	25489906.96	33528841.21	29625317.48	34098352.85	30721159.38	27756144.72	22949149.51	18046940.16	32496650.56	26635387.83	22311606.34	32399084.17	29112629.22	31342717.73	7099583.23	28444853.12	31361500.02	19575175.9	38330175.42	29896280.92	22677368.8	31911215.02	28696272.11	36065974.01	22461743.96	58977867.27	24358699.8	29023817.36	31229319.05	20340921.87	40039608.23	25919965.06	28726232.96	24163365.22	28043342.96	27090782.32	27950737.84	27746333.01	32951137.1	27088077.62	26378854.74	28906532.93	30663128.53	30953783.09	27547784.18	35818001.32	29297464.29	14672871.92	16986693.54	41643452.72	29974281.22	26854092.51	33092978.71	35603002.18	29125965.07	25690741.68	28432501.93	32980961.35	34007612.26	17194752.1	36458882.13	26501894.06	31092807.39	30072381.04	27929747.86	38346989.37	37247173.46	32247701.42	41808417.26	24852623.81	27796909.78	31405517.52	26118471.23	37826053.11	25661481.33	30319256.68	34380613.01	32372339.76	21603232.53	36707156.86	36491687.15	25369888.74	30242349.92	34760254.19	31587540.3	22552976.22	40162585.14	21341205.52	9684764.804	14890435.18	23218988.85	25949173.97	19253783.82	31884642.88	28584955.04	37277736.62	25109178.14	1481631.511	32266553.53	29022658.55	32226826.13	1182575.992	27746613.19	29486036.32	29389610.18	266679.3782	26600091.01	34935808.01	25788674.23	616111.304	36177804.11	28725167.35	34696996.47	1531361.443	23208309.62	40764276.73	33608308.72	276950.7923	21418268.38	26953024.42
DEOXYCARNITINE_C7 H15 N O2_6.84	6183274.306	6973376.721	7635302.879	5286815.16	5215947.679	5725561.62	5053874.369	6987230.516	7958279.428	4738142.548	4722928.881	5439347.388	3653768.191	3088670.907	3668273.201	3093649.187	4634929.161	3390542.597	3671946.77	5302025.114	818315.6452	509719.3115	514871.0338	589927.5599	773915.2817	717056.2047	558914.3707	863094.3319	906268.9357	563724.4997	4870961.203	6857435.744	5563418.17	7017915.057	6076110.55	4001476.134	4841391.806	6283520.413	6303538.911	5087906.57	5210831.814	4225995.39	5275194.502	4038799.093	3776042.77	3540239.636	7394316.922	5806985.453	4151808.865	6291216.937	7498224.376	6568248.459	6838812.834	6310515.921	7906400.903	7947226.701	5315374.672	4918833.379	4760961.019	6259782.51	6060077.645	5694614.115	5769315.978	4984385.525	6162568.441	5177222.093	7931411.367	5730340.668	7353246.46	6052849.685	6265801.867	6127047.08	5588670.542	7429433.993	5951110.307	6141424.142	4936594.349	6025996.734	7785978.264	5639238.321	5038274.456	5494563.57	5986029.365	4267546.979	5465635.995	7195400.7	5954412.701	6059826.64	6605475.935	5905269.505	5923934.244	4713676.778	7027942.948	6231125.546	8990521.644	4582492.99	5788792.368	6886895.253	6004434.969	4899196.736	7081393.63	4826329.856	787311.2154	1735632.914	1300168.81	1546569.069	1615392.796	1444914.38	1737710.097	1858137.168	1200247.597	1146559.647	18042.18783	5219973.026	4686983.475	5749244.915	17074.10927	4716674.455	4503837.166	5450921.579	15446.70993	4840915.637	4988930.67	5192618.136	15972.50551	5226006.445	4847590.867	5048780.644	15037.52021	5083817.039	5210503.946	5895237.412	78997.65373	3962346.173	5093641.801
Dieugenol_C20 H22 O4_6.569	3378360.357	3905960.959	3840530.063	2743578.551	2080587.998	3428077.078	2558680.698	3871757.587	3840456.28	2155154.307	2172222.351	3402110.223	3039528.287	2868867.587	1906631.591	1454033.095	3512441.475	1838830.02	3285001.923	4015495.77	3266217.975	1622910.221	1938023.774	2340935.876	2710512.753	1918234.634	2297736.178	2414985.525	2622775.839	3104918.111	2710405.099	3046324.682	2695180.781	4195815.366	3252021.745	2994871.526	3047902.354	3620317.93	3349288.884	2830095.26	3084360.86	2763448.253	4054689.741	2519570.152	2314983.165	1863699.602	4932607.668	4019305.011	2895089.623	3145673	4433708.938	3843291.984	3840151.645	4227139.544	4214003.186	4722379.151	3123844.147	4755917.803	4556136.713	5970078.973	6224022.799	6538112.291	4834075.227	5688150.173	5556256.587	2298469.393	3684959.981	3110740.697	4307625.087	3151530.659	4513354.607	2946866.831	3029236.182	4538367.407	3646912.575	3338717.2	4466987.302	5412193.816	5813368.544	4416536.756	4203815.791	4924788.912	6193659.501	4154844.087	2864177.394	3889514.466	3112325.677	3011388.148	4015256.508	2752990.005	3592748.172	2820905.663	3594487.151	3182979.735	4586123.271	4037202.203	4663149.624	6042414.123	5180986.478	3688017.993	5468070.379	4536858.645	3009201.479	2162646.778	2403490.737	3486355.114	2577758.327	2879153.963	2783187.371	3195649.404	2236595.267	2323658.691	6416.474612	3974770.915	3738506.043	3745579.013	9061.391448	3884934.527	3047805.321	3825600.797	11326.35189	3878312.231	3598822.391	3807244.032	15099.87515	3735628.058	3581383.765	3960349.392	25224.55611	4337354.456	4009887.554	4182396.085	19394.01272	3011216.183	3707364.484
Dihydrothymine_C5 H8 N2 O2_7.524	5744937.969	7676699.006	9340629.562	6745698.5	4116659.17	5079522.914	4153549.68	5663982.256	7537616.526	5047929.903	4332069.615	7981088.375	5705279.677	4493190.345	4907649.404	5236082.413	6525136.999	4445084.523	5286539.332	6366622.336	4015573.779	4054280.748	2922854.254	3173646.979	3831206.366	3435883.765	3393306.986	4210356.416	4358548.352	3225730.609	5072276.052	8441083.765	6031814.736	7705964.118	5301549.977	3945292.778	4433677.158	6354737.576	6137477.093	5152020.39	5215180.173	6590632.015	8018718.051	5586092.547	4904828.817	4432474.222	10229343.18	7714843.879	4682799.711	7009785.242	8461700.92	6998667.323	6473154.865	6964462.296	6980087.34	7596833.619	5123572.339	5387890.68	5440907.215	6925569.963	6659191.385	6312513.521	4448882.138	4389093.272	5223391.999	6435086.974	8681527.678	5899129.869	8481121.455	6768431.469	6841250.998	6744178.809	5200202.655	7054015.239	4874900.137	5751762.508	4503512.918	6045652.68	7262827.889	5658918.797	5223291.753	4959893.886	6062971.544	4031305.494	5550478.988	7451242.291	5950715.844	6657577.442	7560048.417	5106999.043	6158635.092	4935271.756	5051107.589	7495752.55	8483701.513	5388370.848	8174144.166	9553116.474	8374383.862	6072636.325	7748196.424	4847386.597	2406104.58	3728828.958	3559992.655	4267990.79	3583704.987	2451245.399	3687964.937	3092442.722	3500661.397	3120965.442	14417.14283	6465770.804	6150189.775	6168451.374	165293.274	5299039.896	6712877.295	7086624.107	10128.19082	6109711.659	6004511.747	7078025.275	9292.111146	5737185.758	5777910.734	6679702.584	90007.9828	6077324.056	5565140.334	8043432.016	97579.17649	5380457.981	5895519.717
diisopropylethylamine_C8 H19 N_4.884	2499778.343	2098553.952	3167781.441	2298201.275	3031852.423	2743195.05	2020335.854	2676880.449	3668486.655	2862433.285	1872373.305	2414420.445	3003373.034	1703072.318	1915899.633	2289717.182	1659400.087	2762689.39	3196756.396	3977670.936	3550600.076	1443940.669	2455323.045	1607916.99	1961404.679	2787399.281	2526982.649	1813275.339	1795457.396	1270182.919	1838602.547	3123951.79	3108737.724	3584907.35	2168302.316	2513317.36	2339481.078	3874820.217	3376819.354	1833308.448	1498775.835	2611579.977	3783753.386	3154500.443	1383216.44	3126184.988	2420769.52	2193436.152	2652387.919	4199449.394	3681551.055	3289756.73	2115459.227	2081623.754	1468692.376	3362832.19	1540447.154	3504754.836	3333984.902	3231555.799	3325112.189	1666331.549	1811658.094	3116274.222	2668728.764	1727921.059	1871217.351	2736854.603	1976143.651	1965028.024	2175688.164	2178358.46	1361548.856	1851911.986	3036266.822	1791006.365	2373601.875	3796254.792	1679637.997	1506523.941	3129957.193	1973707.145	2460180.248	2337022.107	3150153.455	2607213.932	2602664.53	1593785.71	2105471.166	3252625.792	3584162.278	3582414.204	3440471.785	2358232.426	1977637.757	3496638.196	1891185.562	1938859.241	1811500.11	2066305.639	2680806.739	3359598.819	4076432.687	1843791.35	1993472.434	1988334.067	1899130.031	1837036.927	2618642.741	2853232.474	1370359.535	3407421.512	199903.8256	2374944.153	2515992.964	3007229.957	177796.2949	2007373.283	2569851.761	2688236.896	19012.78524	2354276.503	2820469.377	2001816.572	244533.2937	2401720.925	2182852.431	1789160.732	227951.2148	3381941.68	3154559.523	2677618.57	293664.2739	2001560.96	2352578.117
Dipalmitoylphosphatidylcholine (DPPC)_C40 H80 N O8 P_2.155	39268717.12	37129942.88	55195306.35	29474805.19	30912096.31	36464231.17	37325913.32	37210632.4	28997375.34	41420607.11	46233415.33	24352500.43	46570352.83	36971261.39	40540763.19	45626396.34	35785970.7	38390178.08	41162161.23	30702988.52	32727838.04	43558253.1	42154077.98	24280495.85	45515290.39	33868906.74	47535633.59	35686568.01	62161266.39	54248086.66	33738018.19	39300555.41	41970182.24	43492453.31	33478919.61	48824984.4	39591006.71	26108469.67	35169625.41	31104031.37	41807302.32	52145409.06	17934021.29	28138977.36	13407549.11	33038259.33	34766274.52	32273790.65	51125871.02	48190625.63	44951954.06	27088055.87	28458764.16	49125227.16	43651219.22	39558106.07	43511957.25	34801890.09	41636046.62	47443350.44	31637582.35	35885487.57	36659877.35	57708379.39	41668373.64	35389878.48	31405185.66	34151564.37	37687584.23	46433847.01	44633634.51	40445671.87	21431856.35	21547638.58	35220795.77	42044808.38	31329516.62	33521538.85	25833176.39	34773320.45	33801925.02	45205148.89	33523533.81	29922164.6	28320283.25	37176857.48	37542537.18	50429309.96	43831191.44	31338277.97	52703673.27	46126429.04	31959735.71	29955094.57	46022721.48	15819498.18	40405551.16	32769833.7	35663506.58	26242717.99	26710873.26	35660645.34	24276136.16	34651799.34	27953117.4	32617899.96	32522502.67	22208208.33	30543822.89	25087028.55	35404590.89	36363096.57	40602.23285	32989615.45	32650860.41	39068403.45	35697.08997	20736154.31	34885546.87	35443709.6	28530.70898	33628286.07	32942164.34	42158840.65	34619.1031	21971284.43	30418098.12	33478413.8	51852.47738	29724040.78	30826318.86	41021949.01	65905.60967	28661467.36	31656930.33
D-myo-Inositol1_2-cyclicphosphate_C6 H11 O8 P_8.998	148056.6463	97174.3453	107846.9371	107723.2154	63203.28365	85535.46858	87739.46314	127996.4234	165495.7157	172301.8054	107586.081	21302.3961	21704.92595	44344.06979	22311.02744	15385.89388	27976.89111	20323.0848	24134.26374	26447.51665	46742.03619	15714.11992	27888.57426	27629.65758	18002.75076	14584.18223	28931.22391	18453.52773	25434.82672	34612.92884	19841.22265	26476.12769	132801.0816	16779.36445	20840.83808	21848.81564	17792.53616	24449.20862	16611.19616	213303.5896	29779.59044	3381156.743	4176409.242	3098473.169	4332894.109	3565657.319	84407.97458	97567.88185	76746.45153	42696.41242	60065.06463	87053.91006	150379.0608	86153.15601	117997.5944	84295.62744	71312.02209	34311.72493	15373.42405	32542.02074	22173.46867	46537.76307	64240.39113	68706.93156	40710.18656	16971.56989	15645.63944	21802.34502	14965.32061	16291.58796	17362.90405	29283.13515	17578.9301	21417.67899	23163.26545	24339.99515	19043.05341	17302.53766	24980.65772	17058.88769	15594.15476	17044.94168	18101.66847	28138.85569	75901.85264	95677.36642	92577.63829	71810.22746	130417.3937	53782.39573	126253.9245	109703.126	129061.0694	103197.911	94070.82863	36642.17147	21439.31744	16388.02981	31838.01986	14797.4126	18156.66686	24532.91045	46404.52923	16990.15003	15600.9483	35596.85761	16458.26557	13254.2217	43041.35872	15964.22107	19466.77516	101745.1546	15104.06779	180681.6533	151760.1312	209444.0874	14475.93636	179738.2896	156924.8983	218777.7513	14952.36937	167612.2094	185080.9719	144598.194	19797.70508	158239.6509	219569.601	199849.9608	14467.20564	237735.9601	49049.69563	20836.01439	18235.32394	172853.2168	218038.8629
exalamide_C13 H19 N O2_5.578	58340.80155	68080.56829	16238.43517	55430.93949	40527.6497	11322.61485	45762.56876	60774.1365	12016.41523	58368.28484	12559.309	14443.30101	14921.80786	15218.91989	57063.91321	54081.28742	52098.09157	13517.72694	13149.21601	12375.31825	62909.81172	15391.75051	15053.24061	71307.76763	53607.81092	12327.16082	12143.46866	11107.13852	11273.34737	12354.98428	15233.22594	59886.69116	15272.81248	14038.17198	51775.75559	52038.20878	11552.93508	59908.66264	11832.16869	12543.82908	11817.74308	58166.88866	15639.30363	63247.52888	8314.101212	12409.64962	13965.66751	49022.15647	14790.17021	71513.03598	46361.99657	12358.19341	12007.19649	50683.16096	9504197.802	11452.43144	11833.61955	46493.21695	55781.89198	14553.62196	55006.19335	39820.45872	58058.58294	12086.41707	31255.57885	15406.89452	56885.3177	56167.97833	48268.28261	48285.93174	11637.36228	11277.62993	43102.69024	47935.12854	53978.37065	53294.02961	56016.1334	64174.33591	66028.5381	15914.34674	67993.43337	12719.93853	24118.52676	49024.62029	14479.17926	52704.90143	43623.53372	14100.54343	12287.65329	46673.99819	52744.37884	46901.99663	51300.96658	52856.70178	57136.45823	16479.83966	14934.15116	14026.49152	13150.2868	34060.31703	10948.30388	47670.32434	52726.35504	48955.48749	15522.54139	53111.91912	61926.08512	40899.37548	12236.20609	10948.60473	52227.29577	11608.78032	51066.3095	80229.75968	43782.93766	48859.3658	72329.44956	66702.5037	59482.95685	62866.14281	13202.18668	63788.66376	59940.0079	81537.58732	55087.61701	45503.40976	67377.60005	64946.91351	11189.57795	75060.39051	37997.05888	78365.49732	38707.37172	54274.6699	61006.67103
GAMMA-AMINOBUTYRATE_C4 H9 N O2_7.82	2710470.526	2170460.982	3181926.792	1274494.939	1030917.901	831655.0827	967351.0229	886264.0251	2058296.198	956400.1206	1206414.153	1453983.731	909495.0718	640035.5341	1151828.984	699466.44	924919.2357	637413.676	470014.3166	745293.6791	1300837.965	203974.3398	1234735.716	1455209.536	302339.16	148189.2303	249211.4746	165228.5533	113199.6932	184731.7257	1741885.343	1938530.852	1016401.99	2520565.583	2232860.485	559650.8791	938364.3642	2002910.954	1689739.215	1367117.583	973331.2294	1589665.716	1326825.147	919376.1911	1073719.585	815969.0172	1840564.745	1723422.294	859313.1042	2115514.646	3531565.348	1512929.731	2802953.966	749562.7436	1776907.665	1728640.831	1154009.178	717261.2848	910834.1451	2737812.23	1188553.426	3112810.87	2551501.375	748926.024	831513.3829	1553142.595	1976507.439	1537962.475	1471981.238	829629.3879	2725240.298	1313516.477	992045.8869	2329019.147	615846.3001	1095210.015	1040204.499	1034940.856	1397685.327	1171797.494	696189.8534	962812.6178	1031830.935	378350.8519	1642543.084	1723780.361	1203086.007	1670428.09	2720917.133	998481.4723	1013419.76	742255.0816	2271169.752	1191679.377	2022158.506	566240.6241	971702.0716	938341.5034	2708777.127	606822.2551	819925.3987	323129.2702	152206.3898	118458.9763	1504837.481	1395069.788	205748.3201	985351.2592	1456581.624	49428.10137	215905.804	233824.0421	22616.88972	935471.9236	1012581.646	999393.0286	491501.0197	1096504.586	1153859.605	1040755.437	55956.98953	946326.6856	1187982.073	1153295.399	9096.093763	991867.347	827634.0527	1105502.448	428328.5994	924479.3918	906717.5139	1312294.953	416353.3315	1019415.599	970910.5849
GLUCONATE_C6 H12 O7_7.95	3090624.29	2814235.649	3913737.616	4121137.173	3261409.647	1645115.914	3088166.533	4818753.669	2005648.57	1737318.671	4373306.453	3427831.066	2979738.559	3572383.021	2709219.675	2640525.425	2570748.269	3463849.977	3801436.904	3215913.823	4508950.868	2378197.563	3020592.268	2989486.414	3070495.766	4126263.772	3972463.302	6080366.319	713085.1526	2779575.697	40889540.6	30689605.51	33369504.89	47763966.22	41384530.7	38798799.79	51642857.34	39250725.41	25663169.76	51632612.08	48927494.5	72644593.57	121511257.8	116128361.6	136212993.6	134333437.8	4960279.075	4251970.789	3496309.363	3769107.056	3792035.907	3552934.537	4180385.44	2840533.515	3159308.42	2573746.357	3074583.755	2908664.192	2734561.534	2229842.141	2772712.096	3427154.794	4301067.048	6018768.483	4366350.425	4424591.062	2368399.077	2649324.169	4450195.472	3699772.558	3065797.95	7790362.077	3485986.808	2572781.147	3080790.569	2481662.373	4282341.211	5952803.957	5163055.882	2808389.223	2909041.006	3876641.057	4896620.727	3047928.811	3069184.772	4282390.203	4012382.332	3035741.576	4641253.921	2991515.646	4430202.107	2792621.933	3344328.114	3544648.046	3664221.361	3955835.843	3319364.463	4079493.847	6553312.366	3674537.997	2500190.87	4031791.907	163087207.1	39519594.96	63058830.4	116988827	101499490.8	55614681.04	126893742.9	117575304.7	83221762.13	97610145.95	774156.6835	22169464.67	23027849.2	24340487.16	537772.2726	25873412.53	23510173.82	21065407.72	82965.45163	20796715.08	24789309.2	17980456.46	1072797.526	21012833.46	24992833.05	22970356.1	882574.8512	30965080.34	30156710.87	16624986.77	99983.23561	16041367.88	24608261.6
GLUTAMATE_C5 H9 N O4_8.155	256934327.5	323795967.6	314336854.9	49825426.96	56874829.89	201843125.6	245756073.5	254087626.7	178156826	184759225.7	163655870.1	79223582.03	42583877.74	316794488.3	47499632.06	226900708.7	208565219.8	181135334.6	212609647.6	210096458	31779781.41	49746568.27	27045828.99	52185325.85	284917924.9	164398394.5	316731885.8	65580440.08	59434931.34	87371763.31	23399717.43	199459841.1	226986943.7	52486994.74	219867172.3	172790536.7	153400521.5	171168807.4	153120440.3	121519278.4	171041111.2	231124388.6	352526581.3	202646797.1	244059213.4	103811114.5	258248724.9	51648543.46	270033958.3	190731623.3	282247986.9	56770857.75	204833272.2	206439182.6	257659821.4	230654726.2	53134201.6	194450480.8	232062281.9	285632296.7	60582228.06	210103941.3	232009551.7	222693546	228114090.5	48385021.47	253372091.9	235913804.6	191886533.7	72679060.89	269669172.6	65115400.35	191274384.5	287819181.7	279596430.7	180452544	34866308.69	176128739.9	279592465.2	49177760.94	56455210.24	198821490.9	265408067.4	202195297.7	102104621.6	274299362.6	219816195.3	57902817.05	206515703.2	196805586.2	298365583.4	236562007.4	216700033.3	173764055.4	240544785.3	70708825.1	206392830	219900523.1	55847683.03	233122158.1	240727835.4	234150781.6	262870676.3	228675329.2	230681460.7	225444660.7	218422447.2	41717641.67	222355784.7	55139636.45	130707402.6	100148679	14131.94881	191550979.8	334802067.4	34232551.38	336059.6546	64323324.87	229612918.8	245819090.5	170817.4598	211205161.2	207767706.7	250221701.8	437092.0861	195300383.3	60459088.74	222657765.4	300304.4486	201638133.4	251583441.2	197302414.4	252106.0229	160859204.5	182193974.6
GLUTAMATE_C5 H9 N O4_8.215	231993864	211892747.4	239334682.9	167714488.6	214937194.1	213328600.5	273960153.5	296971099.8	211804095.7	229820392.2	205275062.5	215235084.6	207570016.2	200172781.6	121257927.5	153032589.4	225160505.5	205018056.3	239982346.6	292621761.3	252232399.1	140478604.7	220207095	205779087.4	323992839.7	206944065.4	340009463.7	256963125.9	310013341.3	352534660.8	237703601.7	159602932.4	174940939.1	209506740.2	236093206.1	187553603.7	169647045	207800975	187025507.4	151066707.3	215541492.6	182659938.4	238532465.6	176421429.4	272070291.4	128995078.2	226979859.6	223630740.5	227866669.7	123354046.9	268513082	216560840.6	215963861.3	217659890.1	271948474.3	247020287.7	215173783.9	141435959.5	172614612.5	245632416.4	189655284.2	263718927.3	246258019.6	316000810.4	263579288.4	139460551.1	160601380.9	162565083.4	176409350.5	253046783.2	281597328.2	257782385.3	241870341.6	306331828.2	324733480.8	222414118.2	227121870.4	235790407.6	234220722.4	157842864.2	172948544.3	208104421.8	288936021.8	289126871.1	118967293.9	248881326.1	195850217.2	241318709.9	215917893.1	208677465.6	328242601.4	263235471.3	303595279.9	209296145.4	297491915	304425320.9	183141565.7	205764649.4	258044486.8	238510006.5	253786811.4	272431376.4	216096918.2	145613967	152792598.7	204932946.8	200831556.4	141099226.7	245505067.8	193770032.9	158086673.3	123295664.9	124974.1593	173990721.7	276364638	255807934.1	295244.8849	338457979.8	158257972	220320816.8	307151.4463	178295527.5	239402175.9	257534773.3	699904.3203	203525294.6	218826467.4	240513106.9	566122.9728	271700024.9	284794861.1	235448120.7	615520.4263	193153283.3	231646619.7
GLUTAMINE_C5 H10 N2 O3_7.866	620032716	659508162.2	611066340.4	496961598	371830032.6	393028522.9	355279647.2	518360171.4	621890567.7	410521072.6	355407680.2	756760325.8	539462699.9	434490988.1	520934636.8	455631755.3	707101170.7	376725079.9	485008737.7	598941241.6	450849255.9	417632283.5	293541286	375714058.5	384966930.9	231941215.5	290901205.1	319388592.6	334281394.7	342416963.6	419694116.5	783255273.2	656342382.1	992024522.8	266903391.5	360387333.3	229242592.5	633918369.1	725066312.3	614427002.9	531786310.4	512963291.7	855381069.6	542109001.3	493748614.7	448483213.1	972688061	667947127.2	410191741.8	686982136.2	875427896.3	696910834.7	665076565.7	678143426	593749567.8	639727998.6	432707315.4	799574564.2	810619318.8	858398275.6	859341827.5	819783321.5	661801234.9	663194372.4	681852581.4	527665782.9	902617737.2	582505216.5	894163159.6	605515661.9	575373982.5	595834105.3	451697565	703912804.9	438218873.4	501378596.1	575755426.1	774807204.1	927065101.2	678597574.3	683917994.3	627140391.3	732625362.5	493577725.2	649515737.4	897710199.4	679211536	707582401.5	928227058.8	578424486.3	610150504.1	505723219.1	667852977.6	685258925.2	890166607.9	864947297	1253122865	1452673372	1225159566	884572437.5	1114737282	854684706.7	543720253.7	527852190.4	491268153.4	769132362.9	446609993.2	374389901.8	655978446.6	535233085.9	383210666.4	462263317.8	117259.9718	619884060.1	592484397.7	587275639.2	103509.3031	591510440.9	700990043.5	749221731.5	86776.23508	325633676.2	649133883.1	681107584.7	68499.43929	592496130.9	644371075.5	578900682.5	55133.84613	631091774.3	605811368.4	673519747.8	83226.94631	541776969.4	589145198.6
GLUTATHIONE REDUCED (GSH)_C10 H17 N3 O6 S_8.064	51661422.88	30845913.24	78478980.7	24868040.19	40201382.29	39480101.01	47045403.77	33485779.44	65318985.65	106719464.5	34832446.22	486675.906	49297035.12	44407219.56	47191350.1	41102074.44	54247140.28	29176943.84	57676161.62	89181320.67	40230823.07	90471042.47	89371048.19	87643725.43	102627334.7	8315848.366	108431130.8	19848667.76	138940182.7	171534697.8	6939398.669	45622178.86	30603091.12	44779476.88	42389327.81	39278724.34	41755634.02	38581622.77	54882864.53	41174274.15	96330529.39	24735825.55	16132296.81	33819495.47	33607579.22	47480981.7	58440136.07	65656504.5	43733031.7	54087244.15	50594835.39	35478710.53	13717437.58	50127807.25	57331659.98	63178781.66	698406.7573	47350262.35	36840417.25	52858431.15	44843916.15	39384042	44049672.15	857829.7802	68281885.8	55183397.72	71852622.78	427481.3119	63111467.19	53367898.67	56391099.27	63791544.3	46146236.83	52000741.37	107867680.6	69760214.15	35618334.84	48027665.8	58552622.41	50446225.69	41761957.51	46101066.72	14120139.13	65892535.17	32280944.97	54728516.28	65296794.44	66633875.35	53354328.88	47323895.06	97349984.51	75381527.76	88629048.63	55396037.51	107865412.2	517357.852	67258818.59	73274489.69	63140275.33	46747040.47	70295141.75	97177511.88	80894075.14	152912819.3	117401105.1	101004151	138854639.8	53725345.29	114008230.7	106050036.1	82281941.97	104723087.2	54016.09524	33307478.58	23107349.05	7222524.792	90803.37759	48745679.44	26018287.34	12099916.83	117014.9003	47729846.36	25722625.38	15197522.65	132965.7618	44182190.44	26909558.86	11873107.92	200603.8077	45778341.54	34218872.41	12055353.02	493575.663	31279178.15	30256593.04
GLYCINE_C2 H5 N O2_7.975	21761357.56	31120283.05	30505918.25	19824242.3	22704721.02	21525028.48	29546241.84	47680214.32	26359423.95	13043465.69	12990551.26	25629615.74	16839234.61	18711738.92	17545295.16	14842890.57	44108661.7	17649296.63	31152305.47	45301041.71	31902357.93	23354384.32	24303838.08	26444773.76	18606216.32	19939135.86	35156294.37	34760329.61	34631647.57	23761519.84	19938140.94	30871665.82	24862135.97	28994823.92	28431109	17374404.1	23962143.49	20860686.01	19432865.47	22931911.02	25778974.99	11839571.47	21025270.11	16961317.82	18813249.74	14874505.01	33469590.61	26564788.11	14639574.26	26592349.77	31777831.94	18881377.95	30830760.25	33678330.78	25790236.41	26479133.91	18069390.86	31730255.61	21478552.88	20646830.02	33652172.74	28006566.93	26573889.83	24252416.08	47910465.24	23245483.91	33276844.42	24316396.93	34720377.85	29617910.43	40813105.04	27102655.32	25658317.9	16634892.94	39780321.41	25017218.46	28365303.73	39006112.15	38902776.51	34559023.3	32267050.79	31937676.38	44350276.17	36662323.03	18343942.64	30543827.96	28207230.35	36891482.09	18247479.26	24678406.93	33043235.54	26554122.41	27500189.97	17994125.66	26601036.32	27299460.71	23224826.74	32359877.01	20971869.54	28369740.22	27411223.56	41511934.79	15293760.25	21597949.32	20089164.59	30236228.29	15360130.52	10552241.34	18820072.78	18690945.98	13979945.51	15996692.86	20788.11812	22290558.5	26053539.65	26885730.2	53685.10735	29865837.43	17189076.89	21675064.3	18942.0592	30485906.93	21887003	15866809.67	56598.97936	32170972.67	30162934.52	15808396.33	85491.09018	38510311.08	19846632.78	20561237.94	110601.5263	21133758.44	30539679.09
Histidylglycine_C8 H12 N4 O3_7.566	6317408.637	6977662.935	5774164.352	6749347.219	4033226.199	3613661.29	3596720.955	4834955.59	7486838.461	4379325.857	6228585.171	9707027.276	7336949.795	5328276.596	6247393.241	5709973.363	7288964.141	4875284.501	5394895.812	5940995.885	7779281.887	7266228.157	5787492.231	5800009.806	6662857.582	3761216.79	5039953.429	4726820.707	5056798.777	4410090.92	5061627.17	9066324.039	7522888.157	9283416.56	5264077.123	3567081.694	4991303.544	5513923.552	6330108	5069652.467	5366808.336	5770564.603	6997347.608	5841217.401	4415504.721	4227742.598	12142506.88	8168307.247	5722213.053	8825493.141	8945146.454	9570573.354	7615109.725	7459488.295	8426061.577	7164437.41	5833127.348	13849067.27	12062542.8	13536705.21	17240169.82	10190689.03	8130646.8	8481220.23	8434436.731	8432821.328	9686541.196	8069053.719	10016281.86	10515564.79	7088775.507	6166882.19	6205055.873	7681694.491	5244878.779	5844888.042	8337354.478	11729539.02	11275286.59	10873018.38	10528114.29	8917595.704	10267460.46	6494907.987	8585889.461	8367050.49	6745196.717	6899983.144	7659361.785	5896280.552	7553139.521	5035256.898	7872302.066	8657428.95	8024611.337	10163735.22	15087594	15780669.86	11948400.2	8751641.413	13164722.84	7767951.868	9005458.91	8746882.642	8814962.213	10980717.04	8438190.386	6019556.844	9828072.915	7614650.222	9508774.636	4857461.177	47014.31514	8505926.81	7423026.431	7022204.395	26635.53387	6948787.803	8523783.992	9214102.515	2057071.987	7806824.44	7685851.47	7314390.462	77806.73444	7530573.588	8374651.242	8987672.419	1656581.049	6896970.469	7183286.052	7521993.288	1779010.62	8661157.928	7611980.84
Histidylglycine_C8 H12 N4 O3_7.983	18172344.39	15439849.01	15204323.71	12038132.82	10792837.9	6755616.553	13090364.31	23148428.16	8778691.916	10647127.31	7240659.33	14596371.19	13610140.44	10588665.95	20933168.31	13841639.16	14147118.92	10664556.35	10577191.16	20848057.56	22738102.27	17907001.55	14543108.75	15488233.33	11963597.71	12120222.98	22363369.99	15957467.9	18016566.17	14760327.06	19201204.03	16162830.31	13132003	18605693.57	12899543.67	12714941.86	16647880.97	14362508.5	16225813.89	18053195.27	13927375.63	12855470.94	20512206.98	18442711.83	15937717.47	19419073.11	16591301.29	21975872.61	10896022.12	13435201.33	21994891.36	14790661.67	14878464.95	12257771.01	15573670.23	12874341.63	14736392.96	31638131.25	11235472.41	17985449.15	21310246.67	20348460.9	10656206.23	13324452.03	20018981.3	14154497.02	19109169.58	11976865.28	18127352.45	10728866.64	12450212.03	23484291.16	13286378.04	11780751.04	15226309.55	9583824.094	19299996.08	20901289.71	17666556.06	13602779.22	8604805.559	8237794.082	17999056.97	15101887.81	18463678.51	18103209.86	23169414.35	17024898.43	17700439.76	15532225.97	14659428.34	8704510.592	12259715.56	11734618.83	10487319.93	11234683.95	22880805.09	15755370.54	11036145.73	15785130.8	6263260.405	8155040.044	23383506.62	32401024.82	16373489.76	27911804.47	26649524.7	14108127.46	23242828.3	23351212.46	13860592.84	17478813.52	4170742.178	14582892.76	17312450.48	14914644.51	233289.5818	15672465.45	16497671.77	13399144.07	35913.60003	18775036.3	13935753.44	11472957.58	432506.7278	17277123.49	17692083.75	13530093.55	43537.57055	16854820.26	24084219.49	9612921.376	6034411.56	12459929.96	16504470.55
HOMOSERINE_C4 H9 N O3_7.596	21981663.19	25165148.38	22061329.68	19129701.98	14519278.09	14802768.64	14266127.1	21913682	22905085.28	17816279.55	13708627.77	28723969.12	24052167.16	19549497.78	21301393.25	20409048.28	26558992.71	16359949.26	21523222.36	28198708.73	28678290.29	20981184.67	15319018.07	17326259.68	20359318.31	11749301.05	16741055.2	17686962.58	19293904.49	18845364.48	17006111.87	34381566.27	27358937.38	30464536.69	24941738.44	15954075.1	20462267.84	28195320.3	28760379.58	24730479.4	24321849.89	20548141.78	25500122.71	20600565.91	16538441.7	15506167.3	40178615.51	27234934.61	16558188.43	27517789.7	28408304.5	26580339.26	24957955.13	24920403.86	22518713.48	25119781.72	19197588.67	31061215.33	30073285.67	30754802.99	31662946.11	29788674.45	25817262.32	26696838.32	26800817.69	20983088.91	31455223.66	20201604.43	30110358.34	22796044.74	21310424.4	21965290.11	20057791.43	28092353.6	18751053.78	19020293.3	22614789.79	26735249.79	30697482.18	25085811.12	26323064.89	20976807.65	21378170.82	23357810.75	24509372.62	36761930.35	26185196.82	28280945.16	30898053.28	24779555.53	25792174.01	22891926.36	28426444.13	32769816.83	37159429.36	42290412.22	60840547.65	71914918.08	56343428.13	42965372.96	52811790.59	36830517.58	31429395.11	31301620.26	32579296.45	42311603.47	28261028.59	25622597.85	33458388.85	33286645.94	27319829.7	28104050.48	137075.9632	26525844.72	27223267.85	24111688.46	155357.024	23991871.58	28171850.56	30059374.73	103864.8126	27078703.3	25270950.17	28013750.66	159382.381	25777895.88	25149822.67	25930837.61	145317.5388	26524238.24	25286654.37	28130267.5	166080.4824	25652586.18	26699094.78
ISOLEUCINE_C6 H13 N O2_6.076	28483422.81	34462538.43	35069156.16	22720894.89	19153841.63	27317264.47	21409284.62	23425645.64	26057387.66	21258969.96	17805744.44	31992088.3	31020306.61	24274292.41	24868343.88	22619671.69	34509213.15	21417420.47	25972210.32	25246653.74	28071128.14	22390203.28	19833811.99	20751610.61	22812303.63	18943268.16	18345928.96	19915262.88	21996850.54	20529610.69	21679940.72	31579701.2	25783556.85	39183136.44	29373992.47	22659181.06	26396571.93	30095790.9	31717076.35	28253173.17	27661598.37	30461399.94	45901667.39	29068030.28	19704127.42	23496908.59	35116849.29	29474993.13	19692307.74	23085063.81	29978726.62	26630368.61	25979474.02	24856985.57	24406380.93	26886429.92	18806598.52	30233361.16	26273202.29	25866871.7	26156690.73	27583773.64	26415587.81	22613079.85	20729167.7	18153381.05	30887706.68	22941703.98	29702375.73	23614262.65	26981783.19	26388793.65	18810975.76	29573779.95	21491275.74	24928693.07	25293171.34	25830240.77	31327595.47	23418946.52	25503794.7	22958448.15	26735185.78	21559858.19	18995367.37	24706596.14	16815903.54	18144595.56	21762377.86	17385136.43	18927726.95	15017950.39	22000408.64	17744067.83	24183927.05	21020179.88	25813737.27	26351888.94	24290520.78	18934470.88	22943123.93	20053814.29	24949653.26	17817283.2	19447201.08	26216150.71	19618634.8	19151234.83	29316050.15	20682054.82	16957254.3	22631997.88	19191.26162	26301660.55	25647708.91	28404654.54	379512.1673	23537247.45	24389263.95	26852076.63	282312.1243	24340428.57	27002996.77	28052078.18	243129.6906	25270003.3	24040831.43	25528522.94	244766.8615	26708064.41	26399246.58	29078745.92	16654.26175	23313454.33	24932800.72
Isovalerylcarnitine_C12 H23 N O4_4.66	1665971.099	2410121.229	4220845.573	1957308.312	1845146.808	1955830.42	2454002.883	1814005.342	3216226.012	1279205.148	2190554.155	7824192.654	9824488.167	7308101.71	5467045.872	7097576.357	7323574.627	6515101.901	6873404.224	5791125.58	735534.4112	529707.365	406336.199	460554.0535	762572.6633	799647.7871	487521.8933	642592.4257	617416.0497	757212.0033	5718563.013	4585924.879	3049986.814	5010797.989	5233719.577	3708545.92	3708927.376	4350418.629	5037110.884	3322930.101	4025749.377	2235760.195	2869267.714	2608359.917	1133421.793	980460.7216	2077223.356	1813960.697	1351025.925	2855993.264	2479755.625	2492265.6	1861028.252	2037190.302	3578618.413	3215113.046	2954888.744	2773889.906	2815848.196	3438239.817	1769524.893	2687507.893	2829709.858	3918491.678	2941176.941	2531393.337	2638034.244	2129107.399	1779413.834	1822373.32	2092572.438	1480185.927	1867393.935	1621730.012	1321098.828	2059996.015	2589915.981	1539667.779	2778632.352	2810797.845	3402671.125	3160324.559	2269682.699	3745505.565	1428736.193	1899708.289	1573673.608	2115661.565	1519768.995	1421094.315	1138261.026	1014040.752	1346735.624	1064941.631	2131677.656	4871520.508	5277999.043	3452633.796	4266690.537	5346772.302	3577476.477	5423055.412	707442.2744	1289643.871	1242379.712	1225038.361	1223439.658	1308652.446	1008620.858	1167964.181	1014300.725	1012970.113	69962.94882	2836127.121	2760305.631	2760394.116	77897.84578	2771940.878	2703654.02	2932275.365	14717.29594	2724879.739	2684632.504	2959247.525	62589.32396	2833881.577	2532435.798	2732008.7	56284.14504	2870703.268	3077250.778	3031803.193	15244.11583	2355178.998	2772751.823
Istamycin C1_C19 H37 N5 O6_2.255	47656558.57	35512682.82	25073734.26	20562186.31	16991111	22474804.7	15352895.71	31883747.46	40848980.58	21388780.57	18535931.8	10928935.49	7727049.75	4878892.914	9538355.942	6056620.877	8717677.094	6211159.641	6571818.856	9726956.873	3517987.533	1863270.272	1733226.763	1734843.634	1531627.478	1515663.694	1356694.555	1660259.907	1880417.952	1722336.108	17246147.53	36569572.67	22629454.76	35434007.48	44321104.13	22449739.87	18209567.48	22754754.62	36839524.29	21484339.33	24166505.36	5403017.181	10674815.48	7336139.074	6394795.232	5946397.085	36340294.66	25551044.27	16954578.5	20584959.79	31816061.69	18569681.66	43144196.82	22381636.81	20896854.68	34378378.85	12016490.58	8271432.52	6221420.21	6655105.594	10460882.78	8140387.514	12420800.19	7391421.543	9076498.269	13890706.89	37465792.5	17649333.33	29965785.13	20489226.52	25050112.32	20599102.49	13198770.79	46384266.66	19032265.08	18567975.56	5728416.614	11291985.61	12963743.35	4696722.767	6661714.223	7014943.4	7591577.121	5828037.244	15546133.69	27031953.7	18024226.36	18163188.96	20149938.33	14757303.61	20881668.36	15817971.38	38831537.6	25204831.74	38044179.41	7111541.062	7938903.38	9534429.399	8145609.968	6199716.179	10711615.8	6882768.672	1540905.213	1323405.122	1164397.289	3665607.877	1475139.04	2709932.672	2045469.78	1657914.665	1208813.357	1943839.826	62900.63386	15996624.63	16235687.33	16268359.57	134417.8985	14571991.29	15401182.64	16682922.42	191333.4278	16332835.39	16096198.85	17727306.09	167097.1504	14295512.81	15013351.29	14826478.24	175450.0325	15697334.66	16874291.98	18727424.39	188932.6267	15055340.89	14426678.76
L-ALANINE_C3 H7 N O2_7.445	4120408.19	5934859.11	6425402.124	5560003.231	4369209.681	4802402.355	4229556.338	4980510.83	6399095.342	5198859.33	4864152.328	4650053.406	3200659.357	3302452.363	347961.0241	3402574.294	6848006.307	3889034.361	4009020.547	5156136.584	3948653.064	560632.7124	195210.6552	131329.3464	768233.5451	2891371.449	299664.3106	4203130.217	207718.4786	3275297.394	9144118.697	11583223.41	10483543.09	14113584.85	10793470.47	5601473.965	8218373.788	10348556.6	8186438.889	7592493.961	8085009.626	9820052.471	9376730.925	11251511.84	11206227.87	9995913.912	828794.0268	3985572.007	2386936.387	4629598.042	6752260.767	4104465.503	13476165.04	430051.8245	827946.8653	4963158.092	494385.4299	3244231.925	3924030.965	5546946.841	822029.6594	4596914.141	4250791.517	356983.4398	370651.7226	4789322.124	6939696.705	8087484.842	6540288.092	5258089.396	676288.0385	5275220.074	58011.96445	6102355.746	541327.9613	478772.2742	3269098.17	465743.9167	573645.7192	5301134.675	473086.7409	449980.8635	4335243.944	240771.803	3060145.139	4704133.312	5491665.318	7679182.446	5335917.263	4144865.827	5545189.941	3135910.724	5852731.229	4674750.368	2058582.749	377712.093	404862.2805	713955.0167	10987149.41	689773.6801	619037.6368	204522.8359	162850.9418	338889.9049	339689.064	360261.6977	433162.9714	1504082.078	405456.7735	2208414.379	325164.3302	2432831.887	36029.3902	6646465.855	3901053.319	6843027.458	41741.0131	4732044.234	4898905.871	5599096.849	44752.79449	338848.2026	5366365.21	5788452.91	62231.90456	6758389.434	4399950.8	5651833.169	34992.43988	5491514.754	6159580	836518.4864	41972.70211	542469.029	5158737.952
L-ALANINE_C3 H7 N O2_7.551	18617570.05	20207179.71	16798093.09	14165651.84	10155165.43	13043026.13	9426676.456	12739137.3	19783129.75	10736922.64	9236316.761	26110888.7	19532449.12	14716208.91	23440719.69	14256989.46	21045287.24	10680766.72	15386551.19	19295884.57	27436564.14	19883624.02	13983751.16	15867371.56	19266909.6	9362068.187	13705167.26	12950137.52	15350689.17	12652818.08	12615461.64	27772084.92	19916003.86	28937051.07	18131779.3	12595582.15	14237198.53	20662012.61	22421366.5	18711929.43	16558781.63	14022321.45	24296490.92	15465248.27	11570340.11	11033155.56	61428352.89	29281032.36	15416187.96	30760295.97	33426274.19	36752426.19	24647763.28	35253082.86	31948034.75	27233716.59	23195515.24	48640167.97	48668133.43	59297371.66	55531996.75	50613626.76	29377029.83	41803814.22	38336803.67	24287772.35	37122022.69	22901226.92	33968396.23	25722991.95	31638133.19	27021721.15	24645244.5	28320865.11	19073025.09	19339466.34	30299998.86	55522592.29	63104313.68	41888200.37	38264075.66	36971116.95	47879804.24	24467191.6	19862304.91	27376686.12	17597989.44	21881180.08	24923381.74	16479474.15	15782821	14342726.93	16656229.44	22122522.15	31804388.68	34406971.95	57242367.1	61291654.84	52640989.25	34901163.48	49000765.64	29183169.99	26204236.45	28137439.89	27720760.95	37559057.58	23197714.1	20870575.33	29564482.01	26186349.21	20358835.13	23955303.63	130383.5099	25709522.79	24804121.7	21829949.83	21559.10773	20038276.94	28180617.94	28742940.69	77325.11198	24325631.94	23990760.66	27441400.16	18630.18133	22205413.64	25761703.92	22475704.97	18622.27204	22559864.01	20606693.35	33975212.11	23045.94377	25140908.38	20480352.9
L-alpha-Glycerylphosphorylcholine_C8 H20 N O6 P_7.389	3371909.98	6494516.254	11036083.57	8785007.959	6110175.499	4370710.36	7869897.237	3865694.563	4609765.763	5785369.173	5043275.865	7487892.838	9057715.196	8174059.888	7937238.637	9800258.72	9462409.694	10192022.67	7713414.097	8388712.817	10092393.74	13048722.95	24531709.12	15160480.68	24324558.43	11829257.23	14290507.62	8389433.936	12829561.17	18727390.52	5583068.805	4205006.835	3408805.538	4152647.742	2013807.83	3682101.025	3072541.674	6552053.949	2429085.944	5191352.956	4349128.343	13448931.49	11377617.18	7204667.72	8310680.113	6238384.26	3231501.701	6527163.45	4177245.158	5539346.886	3946994.717	4678122.101	2133061.092	3450120.959	4245646.773	2853696.228	3182863.46	7111526.345	7740651.456	8668725.074	7044275.976	8150821.807	6133189.753	6052098.334	5626982.847	4665693.833	3433468.713	7031683.027	3669797.2	3764507.47	3993285.157	7117654.034	4471876.685	2001112.182	5966571.827	4034937.83	10210501.5	9087038.308	8621401.509	10536321.89	8514626.983	5535772.398	8045338.48	6906806.572	5959655.61	4291936.473	3795346.729	5310727.791	4466102.695	4710870.761	5284378.782	4440645.327	2386582.743	2686235.552	3594362.477	7287429.153	7297192.859	6591073.404	6411082.432	8322402.648	4811956.929	4142938.786	4877650.894	5889836.868	9978312.417	9717372.165	5635201.158	2696477.096	6860373.641	4119295.395	8255039.167	4355932.3	11946.38604	6367816.519	7188776.592	7380032.075	10426.15347	6497868.98	6871382.801	7366371.117	12653.54826	6540969.053	6865920.352	7204657.765	10305.78037	6721096.221	6730917.545	6586322.406	10638.13577	6891461.694	6863393.76	8407353.01	11850.52664	5834487.695	6583276.22
L-CARNITINE_C7 H15 N O3_6.803	72510714.33	84460782.27	84281196.34	50187664.26	52453632.54	56565298.91	57388753.08	80723079.17	91132652.83	73799762.01	88066607.45	57965553.6	34637288.58	36565414.76	43439702.09	29617163.74	45258413.56	30396655.95	41066534.04	52528323.64	13609990.44	8014772.878	6457535.449	8284274.182	9973156.978	9673073.07	9214359.256	13478022.88	12820832.68	10848474.84	34456323.06	42957402.51	36166910.11	44225634.4	37610932.31	22086407.09	28908833.52	52220585.36	44112424.75	48044471.9	57772951.57	63316835.78	59771031.65	42523647	50462342.42	80471838.8	78638836.27	59600642.52	36569557.31	66999085.64	75703242.14	63848038.61	75770703.87	62295958.97	63705680.45	69328293.97	58110528.05	45438695.61	48479543.74	62443974.11	56965661.58	57194626.68	54106267.74	43574020.18	63147496	59255548.1	75927523.08	61070325.04	75481774.66	60724428.56	72614368.08	61453932.78	55532449.13	79407307.64	52050405.02	16418967.24	44210476.37	61065619.65	67489106.24	57820419.19	50935667.79	43515689.53	57326261.88	42759200.33	61990265.34	72784734.47	54192218.47	62750198.79	62923216.3	54447826.2	56948849.1	41875858.14	75828482.03	15514979.89	131045925.8	33995122.49	47153856.63	55097290.52	40049924.36	37176237.76	52543729.77	34154036.47	8609198.217	12983128.43	12785686.78	15738865.17	13417529.4	13871297.18	14942146.82	15046279.47	13320957.61	13159651.6	320281.5926	49122795.26	47498641.72	45596144.94	17854.49208	44462790.34	49677026.74	50445514.8	136016.6134	46369767.84	47569335.98	47813083.9	13444.41015	44987621.79	45770969.83	46717765.61	13712.44698	48404796.31	53180777.62	61822445.51	17899.62747	51260866.41	16874681.21
LEUCINE_C6 H13 N O2_5.894	53632821.5	53478804.48	50544068.02	38463165.68	32497143.52	41367913.03	33723453.98	40428969.42	52373418.52	35444322.13	30990420.72	59144419.32	48659732.74	39144827.87	43281068.2	38529441.36	50470474.57	35270118.58	42764624.63	48934012.28	43697366.52	40235223.18	33485958.88	33340767.59	37239255.63	29143877.45	31089405.23	33920803.44	35636485.25	38856829.45	35715009.58	52441212.02	39896757.52	58532671.69	45312649.78	6261990.499	42823853.91	53165598.01	66995746.96	45522947.24	45985782.01	55286507.08	75571255.77	44151904.94	33736922.81	44738507.74	53770254.49	48576399.47	32308554.86	39855877.53	51035198.55	44048511.67	42324183.18	45568871.84	44423989.83	44878820.02	32447288.37	40036582.68	42052259.77	43510404.87	40385806.08	50960887.66	42484444.03	47370244.09	41240782.04	33990347.01	52663696.75	36517194.73	44578995.15	41532551.84	47617431	43365647.52	35529553.15	49163279.83	38273986.74	37316196.93	43279618.59	49596032.98	47084190.37	37082830.74	39724708.41	36607579.77	47355677.77	43224026.3	32870867.46	44298507.25	29152848.61	30995145.06	39846513.49	31340946.72	33646111.82	28107051.64	37087526.58	30692893.36	46143117.26	37808552.22	45827165.14	47531365.58	47419357.41	33874076.49	40588064.55	36745220.45	39032657.28	29550208.22	32512851.77	46445334.56	32115282.01	35096164.93	49349274.29	38002810.55	28857232.97	41229261.57	357628.8433	43312110.86	46942996.43	40226523.63	411803.6949	39224246.25	41785102.32	49271823.75	16230.91701	46596377.78	40117529.82	44379916.4	17128.8871	40548644.51	40495073.54	48792389.99	259937.7363	43057529.25	42349802.22	48672469.25	18077.87611	37455505.4	43152182.72
L-homoserine lactone_C4 H7 N O2_8.214	18936970.49	21990512.56	23199328.61	19842114.89	19431088.97	20517867.21	25407245.95	28400625.24	19481677.15	20563685.61	17996913.85	20161194.36	15298654.55	1649400.65	12545438.9	13063063.44	23302166.45	22579797.09	19073641.98	22141967.03	25947310.16	4856341.594	23651378.9	23776232.22	15462090.18	19294683.71	30976563.06	27383427.73	30364853.97	34975621.74	20617605.08	14041320.29	13293847.48	21227962.15	22091941.14	17956343.09	20048793.92	18646177.15	16506809.64	13941293.73	18144614.94	13945191.21	11035350.03	23044246.34	23119221.73	11155918.02	14998224.52	21454597.3	19755852.15	14258768.97	28531586.57	18625484.04	26198247.25	24568541.07	21036749.72	24171485.04	21310477.46	15111184.89	16087915.05	22693314.53	20879769.44	21428501.4	21540270.2	22633058.07	24680828.41	12066950.32	15819573.24	15270529.73	24602500.26	27365653.57	26678757.95	23767369.09	21756614.28	29450484.33	33193946.96	20554635.12	12515112.37	16058157.42	21242482.8	15632330.48	19524495.05	21637624.08	27943687.67	27431799.18	12595216.71	23445818.75	19016558.12	23915956.98	20386619.71	19048099.39	31756822.41	25325972.71	24261660.4	18948047.41	26320420.55	29515217.17	20134878.53	26876531.96	27965251.39	17632557.47	21295330.87	25789953.14	15905970.98	15758029.03	14835674.16	22383387.62	25941450.11	14899264.38	25896048.57	19954581.41	14259669.64	11213488.26	67437.11373	16880045.33	28095873.91	22027809.42	51363.64469	26022266.34	13185167.49	18186153.81	148025.6409	19089500.41	19430525.82	25706872.68	37987.12319	20040292.28	24083075.33	18152347.12	94615.44305	20754718.33	28656087.55	21041973.19	32781.60479	18142931.59	20311293.78
LPC 15:1;O_C23 H46 N O8 P_2.366	23524150.29	27862384.64	21286886.92	18935277.23	14163972.41	16803185.82	15070267.02	19704311.86	26883878.47	13973582.02	14004955.98	47431192.98	31994520.65	26467561.58	37526973.89	27336004.02	41257884.12	28389729.87	31459622.65	40061330.62	28321471.06	9411634.567	12149646.91	23067482.41	15246525.15	22318216.05	20139616.28	31794034.67	23058219.54	21233827.5	14874532.24	21988856.94	14997239.17	24968960.21	20919840.35	19157595.28	13219941.11	18566621.93	22707859.07	16373278.82	16542145.58	35054476.62	54039810.76	34427423.5	23220749.92	30155331	24311866.79	20180659.63	17817376.57	17791762.16	28234778.76	19910991.33	26583266.2	21148125.27	20305442.34	22205321.93	14753712.81	32724817.76	31381789.24	34186029.19	39677028.28	43814394.86	51741969.32	35408803.05	39164444.29	13091683.3	20118782.48	20442995.24	19066254.93	15660761.26	22544487.21	16661989.85	13757680.32	23163128.4	18735145.22	15554231.89	27214792.97	38629946.45	51238146.63	31928360.16	30705715.59	29875195.34	41551308.49	32732086.21	14789170.58	24784844.58	17351616.79	16941708.85	18258559.36	16630315.12	17643346.6	20141804.67	24536975.15	18196886.48	23377546.58	30465318.42	39908481.39	36583240.36	34441470.69	30635472.29	39005973.75	25328652.99	24210666.77	19289173.72	19522591.93	36101026.71	11175831.8	40921474.89	35419356.16	38582715.54	22210326.83	26126614.89	38780.76926	26887158.96	30214875.53	25879697.66	24851.38714	23336766.55	24730000.09	34821861.73	16655.36071	26446454.46	28006809.99	28542675.22	21998.29891	24293497.77	25764996.68	26148630.03	35275.85706	27011980.83	29485591.78	30737391.26	24626.03677	23096858.19	27451449.2
LPC 15:1_C23 H46 N O7 P_2.366	193039.1474	258262.4068	1568146.078	1149906.091	448495.9633	670487.7015	426330.5412	542070.6545	733043.0512	353027.7066	372319.7909	3630828.263	3655220.461	1939491.914	773526.4784	136259.6519	363359.8389	1000039.425	973883.8624	1118797.15	6071864.975	4804965.545	4794127.4	3450923.804	6582329.003	6155506.916	3606603.182	2793348.723	3011289.334	260765.3522	844962.0664	814704.7173	513443.2658	892376.1465	611151.762	633311.2087	401019.2206	728916.5682	258154.2329	511958.1364	443673.8919	4911460.168	2975260.978	2242075.695	518090.168	1828812.725	2461032.732	1581374.221	798069.0673	782230.9942	1700752.436	755314.114	665893.6077	514926.5044	527719.0339	584428.4384	637811.7862	1361960.81	1115908.361	1051411.506	1746912.974	2658574.046	1085888.144	877907.1134	1412692.641	337424.0596	378580.336	116092.806	183511.1859	310227.6531	398885.8331	309457.6344	255011.5894	366366.1679	333354.2286	446720.0111	2539918.194	1674392.543	3251410.255	1271046.213	674862.129	985710.355	817502.8334	1842720.089	289173.063	1089729.882	1311619.037	602864.7122	412875.2357	374292.0751	847990.4165	272393.27	499646.6141	600423.6817	486588.8269	489466.6884	2112671.514	715810.1985	1324297.934	1104261.355	1696493.855	422787.8819	7563066.335	4190828.913	3961733.965	6159433.468	552151.0527	4470926.857	4134755.836	3971406.844	3510624.314	3278226.379	45114.68242	3493232.872	313722.6878	2216814.706	22131.06741	1891071.022	1429357.989	1485100.115	14788.58581	1223038.925	1222959.888	144145.4477	13829.31192	1485262.32	1850926.211	701123.8667	13833.78346	159849.5989	2714546.634	938902.7331	17855.02812	786740.7607	1777325.839
LPC 16:1_C24 H48 N O7 P_2.409	529382.5103	756001.8006	774780.2677	346928.2479	666790.5527	540268.3846	497890.4191	930561.5477	868692.7115	288784.5146	308367.1243	516794.6936	466789.2322	354318.4497	364881.7399	351552.9276	327892.6813	508938.2526	387055.1701	561098.487	588220.7527	183818.7467	354922.5071	580433.158	514547.5304	660013.7318	610544.064	357076.5631	378701.9877	605136.8869	491565.3842	756556.6969	448355.756	638589.1016	764789.3275	315549.7931	327236.3204	515673.3479	344675.2803	357022.6023	307272.6516	432045.6916	890719.1612	304590.4121	193149.0897	310274.3361	642020.3148	424140.9264	372162.8476	537049.1027	699453.3599	768182.2419	395944.346	382010.4411	515059.6298	642162.1261	355913.737	470980.154	516761.1899	309701.4777	743087.8353	389733.5569	503451.3357	407739.1081	548920.6799	320117.0343	533645.2265	623334.0187	577668.2312	454505.4573	434966.5764	367711.6939	417627.4154	613884.9391	487636.8141	318290.5877	198829.9515	698540.4454	755810.7681	391576.0362	553588.0371	167963.3985	324025.3365	412899.6952	430582.1501	741844.1168	346193.8285	421872.2489	282442.4013	433958.3298	333745.4351	295791.0275	693165.6438	307657.4753	508531.8702	637950.9592	523082.9951	556211.1799	465131.5488	548060.6191	559418.2533	438091.2773	236439.7004	303238.6165	313375.4117	582953.0587	323048.3223	448581.9154	295596.4542	442059.8066	117859.9791	257531.5165	8593.574401	372846.0668	557360.8243	767695.9168	4989.110148	273549.7963	460282.3592	694517.8656	5111.198269	324273.3295	548767.254	549705.5277	5173.335474	303987.3987	494636.3579	558517.8327	5403.404312	409394.897	550302.0663	701489.3442	4623.471634	298501.6839	478574.1704
LPC 18:0_C26 H54 N O7 P_2.414	5450435.021	6086578.736	5753330.539	3416958.85	4314694.871	5120387.95	4407208.2	4454089.343	5424164.246	4915620.208	4089652.915	3720593.63	4963331.806	2799619.298	4204779.298	3910762.772	4226168.15	3919192.88	3665729.4	2493810.465	1304147.792	924678.5116	1147042.175	1035834.119	990447.9177	1027981.8	1259240.195	1220032.55	1452724.988	1032627.754	3132983.275	5151372.197	4013208.097	6417810.091	4715617.135	4534223.942	4538414.774	4755999.571	3659258.961	4007842.948	4139249.945	4812208.255	4397577.348	3684656.309	2784586.035	4256070.994	4860847.743	4195462.415	4334769.599	5790976.547	5819459.76	4698246.787	6537739.301	5109505.981	6124877.47	4923599.815	4192862.581	3857359.916	4595118.671	4914886.452	5246840.366	4683763.862	4339267.169	5470814.275	3788832.77	2711342.961	4110217.661	4869683.797	5903675.864	3756930.607	5064273.693	3717861.495	3515496.639	5361801.915	5263917.125	4119118.41	3036532.575	4244287.735	4699842.9	4194885.359	3954592.177	4181507.956	4494728.417	4075957.485	3273583.971	5614563.421	4841804.765	4414852.557	4124327.103	4168569.738	4002179.046	3712666.711	5862320.593	3355266.932	4323664.333	3418869.916	3952946.791	3703588.314	4975620.833	3793020.501	3973602.8	3400280.813	1368045.103	1451925.851	1153188.289	1563836.155	1200932.731	1920036.857	1022317.915	1457516.914	1052479.506	1428225.75	7285.025894	3548171.487	4025899.715	4146299.062	4597.35508	3614692.118	3821704.329	4278954.084	5197.091982	3761658.061	3791604.33	4069388.111	4858.284213	3215124.24	3663693.299	3866432.461	5743.062156	3816741.938	4096739.033	4643602.447	4899.404245	3336372.577	3583140.545
LPC 18:0_C26 H54 N O7 P_3.477	2798913.009	3014927.073	3396992.278	2057706.615	1926029.039	2504465.79	2167844.501	2332126.092	2370865.485	2475440.273	2554631.528	1741165.227	2874587.025	1500241.465	2159426.487	1898068.773	2034985.044	2217958.46	1795593.548	1380790.489	583866.887	455459.1057	641570.3648	476456.4511	373806.3487	574260.6868	574702.9694	662502.0861	855842.64	412995.1338	1578482.104	2551895.436	2040269.41	3609595.101	2392235.351	2345527.186	2611269.823	2377541.836	2083068.812	1785066.06	2061584.741	2477812.051	1972273.517	2056552.042	1464499.743	2245643.218	2297028.961	2234411.336	2534998.556	2602320.471	2833501.932	2046164.417	3207711.414	2867092.719	3129851.193	2601390.603	1910842.478	1964829.776	2321260.472	2520661.933	2536094.663	2286655.052	2143322.371	2643707.013	2208354.234	1571307.381	2367282.514	2660735.494	2949691.475	2300307.703	3256535.424	2242727.697	1900848.06	2891417.241	3236404.47	2239755.398	1988661.332	2452187.963	2305855.639	2153938.659	2255539.187	2816741.765	2940578.948	2309992.091	1758499.452	2567129.619	2671833.478	2740096.951	2463943.187	2187325.298	2631616.549	2367764.32	3134221.747	1748805.245	2430627.258	1721320.72	2186801.162	1825053.002	2700471.724	1870693.613	2310520.09	2165546.09	747579.7654	796727.642	524328.9015	867084.4489	742144.6084	957671.5335	649182.129	846333.3997	651580.4654	908367.197	10352.96525	1885904.008	2080716.906	2102316.957	8743.507105	2201209.15	1972735.226	2197521.93	7122.92325	1796374.258	2041700.689	2172785.822	7127.582154	1928226.685	2015902.409	1859424.145	9166.580469	2029976.968	2117971.514	2380436.602	9593.392525	1884268.6	1925519.151
LPC 18:1_C26 H52 N O7 P_2.414	5338489.298	7483349.018	7368910.448	4061137.843	5936652.103	5505241.729	5265923.688	7401016.835	7252342.283	3710496.067	3462706.188	5118102.229	4784004.201	3746368.377	3870716.665	3726433.697	4050452.35	5205401.324	4186453.042	5167748.438	5051626.78	2229995.534	3582194.204	4848996.415	4233134.228	5253526.21	5085608.41	3589801.157	3743583.055	4893940.925	4302768.392	6916184.982	4468931.171	6554862.107	6173876.842	3832221.226	3637634.49	5085033.189	3552622.628	3771735.997	3615552.412	4932903.919	7879997.099	3994476.644	2330636.46	3622611.382	5784306.678	4592185.001	4138790.594	5206048.588	6848215.241	6569184.009	4690557.295	4336462.809	5310288.412	5838476.583	3881899.289	4925160.742	5319902.24	3725543.928	7135759.023	4579517.745	4645873.186	4539365.925	4838780.981	2994993.455	4419613.952	5299774.08	5788105.368	4814034.144	4703471.417	4120715.43	3914658.422	5813980.661	5114859.866	3558366.131	2151521.411	6521220.79	6930059.435	3475293.501	5020558.943	2504288.266	3621741.507	4337697.971	4271616.233	6967392.864	4174617.009	4341206.342	3490992.07	4440050.912	3787881.463	3568709.222	6238322.718	3614186.506	5140226.092	5667919.124	5629840.015	5905264.279	4896397.165	5334688.222	4837376.518	4238713.898	2414749.738	3107411.923	3144752.046	5136896.787	3345625.241	4727532.827	3364727.279	4463959.928	2086678.098	2696221.769	17060.29348	4012048.194	5216813.637	6536062.002	9653.580658	3563121.579	4687516.602	6229980.12	10581.91023	3871117.634	4922309.242	5613679.695	9815.882304	3303682.703	4776352.347	5073144.199	11242.19886	4158252.341	5610966.216	6563500.823	9117.314411	3265246.721	4632005.963
LPC 19:4_C27 H48 N O7 P_2.426	307782.1003	1058729.617	716529.6633	761324.7582	734470.7765	382389.0021	487772.1079	388806.8599	124403.8695	577618.432	423280.0299	535514.2014	547102.0754	407797.0445	414888.7051	810608.2283	619188.0781	556447.9283	257736.0813	787765.6115	641133.4473	416549.095	511852.6835	498217.8754	531347.4855	319254.3815	412247.6504	292749.3925	275496.1186	519801.261	550657.4046	670725.6336	420169.6717	1447659.28	403733.6668	498650.063	566567.3881	718865.2735	123013.8002	422511.8579	560615.8786	737142.6953	1145863.428	478962.5512	345621.9175	676844.6779	641382.5966	757508.4912	664241.6608	517642.9602	1624543.767	559739.884	684480.6011	433162.3447	961050.5494	115722.6003	608889.692	682199.2041	649997.2366	523389.9589	1581847.653	580900.004	566460.4108	633272.4675	329054.3852	566041.7961	224313.5446	616752.5346	444173.641	494901.5228	676920.1271	49360.23805	494060.734	490579.0123	508105.011	584694.7108	123701.7263	957686.2248	442870.3537	626803.2016	668808.7105	360311.8629	639307.0841	701490.2331	557583.4695	948235.6057	710821.5182	872591.3153	219194.5104	563784.135	577527.4178	439781.5062	354470.0315	493580.0918	153852.7374	720831.3463	695775.2984	1038830.264	334951.191	604355.9121	234708.6691	632548.5924	400555.74	495162.0404	275670.6864	750047.0481	225528.5817	739533.3783	444292.4248	305222.0385	235257.3439	428014.7429	5473.010536	760962.9252	569268.0322	698752.016	5595.502033	533977.4082	689686.7006	789823.4569	4960.577112	716304.3309	603731.5629	694274.9843	5092.306109	598244.8202	611957.1023	645550.3259	4318.880994	712880.7924	682860.1493	838532.1022	4052.649694	576509.7715	610933.6492
LPE 18:1_C23 H46 N O7 P_2.429	2007773.28	5281197.357	4201326.854	3782681.995	3640599.378	2813695.074	3018640.349	3614004.055	1455921.274	2929931.66	2716782.123	2879768.511	3979773.187	2744722.68	2717831.704	3760168.393	3807345.388	4190296.369	2636587.58	5811561.886	4853326.192	2518778.22	3518693.308	4667465.913	4045143.286	3502912.888	3159172.691	2277571.03	2571957.099	4346312.226	3522087.207	5748802.457	4095186.146	6217768.679	2727927.416	3134998.782	2942761.16	3932975.882	1153278.592	2732083.971	3119187.537	4744815.565	6310148.091	3209962.692	1925288.753	3685925.879	4815244.289	4237384.194	3149896.025	3318687.1	6900798.915	3587369.98	3446592.36	2775484.413	4432334.126	1456609.729	3384952.184	4014541.796	3834628.231	3488998.774	9209276.222	4588349.327	3116923.381	3626019.466	2969432.535	3117143.024	1798254.07	3829444.584	3673159.573	29636.34821	4261929.044	13645.54383	2918354.162	2702622.242	2911822.293	3135565.285	1873391.172	9285603.842	3556735.29	3341863.139	4255885.831	1932625.171	3656984.759	3593110.043	3304911.91	5047234.649	3242508.833	3771773.945	1803007.659	3409947.69	3439940.464	2394391.349	2411516.03	3517193.188	1243527.358	4410124.984	5374802.426	7933978.995	3266885.582	4007894.63	2022144.982	3551657.935	2773087.073	3357586.068	2864478.174	5863860.367	2254323.441	4921707.467	4493904.172	3265009.921	2762179.529	2840551.758	12255.37653	3979883.495	4437172.628	4508871.673	11245.57916	3731629.79	4376173.334	4409808.708	9839.101446	4071502.889	4078131.935	4575699.882	10349.74463	3647911.01	4117538.493	3991029.319	8615.178696	4404562.194	4264825.67	5116712.089	8064.058232	3580423.205	3978633.934
LPE 20:4_C25 H44 N O7 P_2.419	1638815.188	4329851.091	3443293.343	3183695.109	2923679.91	2204253.161	2419762.509	2607064.73	1162489.287	2352113.346	2127320.503	2736796.005	3017442.688	2332567.227	2292738.825	3132354.347	3492401.88	3508855.037	2028896.945	4609886.266	4003816.252	2176048.055	2980665.258	3705907.874	3080965.195	3116548.463	2287399.102	1847240.2	2068368.481	3634941.824	2883134.699	4069778.01	3262496.959	4959232.037	1984717.391	2629191.482	2423736.013	3153171.322	858801.4327	2114539.538	2522880.649	3939286.512	5113926.491	2721995.505	1460496.976	2991382.364	3761294.122	3558280.666	2431662.015	2710643.78	5747415.273	2902235.929	2748827.133	2160053.264	3460752.428	1086368.149	2693354.163	3307183.046	3013456.372	3034807.393	7618993.509	3929817.793	2616709.263	2976041.064	2419549.237	2602410.568	1457392.788	3051270.431	2886774.652	2879214.351	3493307.252	2832192.091	2368301.069	2108921.419	2276738.221	2550268.173	1523132.04	6416293.709	2851890.801	2776705.421	3508615.563	1637809.519	3072968.243	2853973.5	2743455.041	4111808.552	2652736.12	3127419.426	1423949.303	2768938.816	2880581.908	1907315.083	1760002.352	2718115.593	1002386.31	3526834.244	4515531.658	6519810.289	2591456.333	3233351.582	1758538.12	2850920.962	2534032.057	2930828.364	2164787.019	4744417.188	1826102.87	4009451.452	3683191.455	2485343.978	2283647.579	2367311.794	9155.008463	3346322.787	3528281.948	3520379.583	5916.368583	3111488.04	3721352.852	3583192.506	17266.97764	3357522.206	3365464.878	3393952.332	6230.547818	3176678.464	3450330.184	3304288.553	6227.34043	3547253.722	3496020.963	4070009.565	5023.831357	3021096.87	3256933.402
LPE 20:4_C25 H44 N O7 P_3.528	1175140.343	2957281.877	3054085.139	2838253.716	1823256.022	1527579.478	1544891.141	2147729.719	588859.5485	2259136.476	1780779.265	1548803.786	2203461.595	1840291.76	1514440.317	2435638.96	2485978.849	2437918.948	1428251.693	4078781.091	2142423.361	1577679.951	2179108.697	2422319.855	2018923.331	1924348.718	1350999.736	1173472.857	1418069.224	2488633.826	2103274.633	2949186.94	2253846.249	3480088.599	1222023.175	2383662.686	2240658.173	1975778.267	663431.7396	1335650.646	2079139.935	2233331.582	2796590.514	2249163.127	902785.6248	2263048.546	2364657.567	2972265.08	2067659.557	1592843.234	3579916.563	1646649.203	1869627.294	1679769.495	2646014.07	766702.9613	1925612.448	2067823.7	2108234.278	2259874.897	4912564.581	2778672.27	1524477.443	2229370.237	1600674.501	2465552.691	868926.0824	2273701.205	2315107.913	2860279.692	3338859.627	2667726.003	1729995.918	1412377.897	2193039.398	2483361.371	1223754.085	5576539.381	1606674.184	2247785.98	2510146.473	1463903.444	2616156.032	2247430.866	1779956.639	2715921.19	2094574.566	3166442.821	1249381.396	2140277.018	2629208.501	1763042.108	1259059.33	2213056.42	732911.2829	2262084.852	3317964.926	4908799.122	1830313.802	1885457.755	1112455.921	2478012.74	2111195.203	2536519.47	1495940.397	3207205.456	1208014.032	2413922.788	3362732.505	1808141.53	1750448.883	2230236.072	19654.50538	2602487.326	2382735.207	2361771	16911.37025	2706341.326	2621433.796	2516323.276	13478.35653	2689699.68	2330037.74	2633678.85	13771.91026	2459345.761	2406189.2	2402655.901	20645.92645	2740189.875	2639858.803	2907153.249	20016.49874	2065726.649	2545208.584
LPE 22:5_C27 H46 N O7 P_2.424	549219.4564	1195623.754	1096015.77	874604.9094	844374.3489	530977.1882	668706.5303	595216.5867	255790.2307	691791.3955	645306.4465	811534.9555	787207.6157	630696.5861	588777.6569	858526.0355	880445.0009	918595.9818	435064.954	1038709.287	891630.0663	386974.017	493490.1005	758665.2324	668190.3212	424763.56	275142.0449	319404.3273	413537.5724	711635.1738	983905.4254	941167.1271	695992.5567	1371850.75	563587.5404	685116.0865	699087.2918	885287.0854	216119.6752	600411.87	722081.1104	1111338.697	1364238.09	778905.2955	424886.8534	858396.0413	924243.6697	1015407.166	668146.9421	696135.5061	1543469.09	726808.8414	917766.8987	559059.0262	884555.2348	275921.4986	887154.2162	830066.3512	808362.9125	888144.6801	1735915.405	975677.7404	616899.9232	827673.661	544030.709	802462.7975	417375.4915	851480.9042	655035.4204	686696.3632	939014.5648	685211.4309	721700.1104	634302.1015	646572.2482	752040.7198	404868.6687	1556628.112	673745.2527	744899.3017	857134.491	420486.1275	818731.5463	828028.9892	845604.2565	1109400.477	753500.1217	956803.7708	342619.9299	742779.3113	768364.2746	487629.4887	539745.8783	732552.5874	206535.9518	947452.4266	1072107.204	1391074.224	643425.462	920127.1813	405727.8133	832345.9881	548323.3286	476053.0632	326988.9034	909396.8022	170541.956	851832.4217	490523.4542	540396.6694	344857.0142	400889.8168	6325.061154	904265.3192	887943.1849	939497.7913	5572.918571	809300.5478	965523.0463	1045225.351	4826.895092	865016.7338	904877.4686	898629.1586	5015.74697	758162.9691	907274.6898	849087.4071	4378.987843	1020098.102	898591.001	1108667.059	4311.234862	782767.6072	843050.9353
LPE 22:6_C27 H44 N O7 P_2.419	1104352.464	2728888.359	2137012.126	1593369.812	1668820.727	1028940.554	1309632.704	1312541.237	469457.1325	1308754.7	1154953.703	1409172.404	1599232.661	1216625	1343848.9	1675688.549	1993526.517	1768702.021	974685.2535	2214658.407	1969642.057	1362383.798	1135417.828	1438379.64	1187974.989	1174005.631	914915.0617	658496.2909	763802.2944	1741714.846	1824234.768	1799316.224	1340163.442	2824340.005	1319201.701	1519720.257	1354874.387	1827766.642	422167.4964	1258939.772	1233905.372	2224873.999	2684956.633	1358807.821	848338.7673	1507290.507	1824077.285	1988466.681	1218745.222	1462900.926	3396954.633	1546999.173	2036110.284	1092586.609	2035212.496	538047.6745	1626967.415	1620305.334	1558466.255	2287654.047	3570903.106	2226319.492	1409726.331	1590694.715	1025140.36	1931186.297	716170.5064	1634905.578	1298997.348	1287523.358	2068590.483	1367194.926	1408190.597	1399251.913	1269212.111	1458124.681	825546.8998	3282039.353	1094899.129	1568310.68	1890171.026	1254201.922	1700025.374	1663597.307	1537089.771	2578145.723	1389275.902	1853273.092	1187895.219	1579469.078	1649545.005	1001325.978	1043841.108	1463060.493	462530.1873	1832881.295	2317841.06	2838926.303	1123753.515	1775689.505	792834.9574	1652258.608	1127314.536	1224871.792	934377.0203	1923039.683	627034.9466	1661183.721	1311468.279	879131.7739	926888.0324	1005630.33	7039.219351	1820029.32	1777183.8	1811030.902	5944.90377	1640478.694	1893690.231	1850031.754	5104.553711	1953206.59	1942194.673	1833320.052	4897.432901	1511314.404	1706248.088	1835031.312	6408.791278	1820559.573	1848841.699	2027528.124	5212.249743	1633475.866	1780062.039
LPE 22:6_C27 H44 N O7 P_3.513	749389.0038	1826701.508	1833996.016	1401241.057	1028206.947	750656.6724	899848.6258	1027510.875	274507.5696	1091923.245	1034802.262	760338.7978	1144591.226	1045321.975	987560.6249	1231647.454	1373507.964	1389357.817	700321.9737	1848188.438	1056392.12	648758.3773	900980.7214	1045437.001	905853.9473	771177.4422	553622.2011	452693.2202	564325.3544	1176926.16	1300693.847	1393782.24	1052062.749	2056873.487	841784.2569	1109753.261	1145038.135	1063491.63	356929.8437	706126.8298	1033203.475	1600673.371	1528814.104	1045613.202	548146.7852	1140452.941	1115543.569	1466569.644	1022698.759	943428.7991	2317653.827	882337.5546	1253574.187	868219.1364	1551044.75	387288.7131	1171096.245	1159901.371	1277283.187	1365707.685	2479069.012	1663931.482	965457.025	1212825.172	792162.6986	1436211.773	482659.0651	1225476.012	1083327.914	1364872.666	1863914.37	1243817.234	957544.2734	1014446.061	1081827.129	1317223.758	573730.2001	2529360.696	830769.9266	1268410.044	1405852.305	762460.4426	1459611.65	1255834.655	1081167.857	1602494.351	1101691.662	1704818.28	637386.7026	1087361.898	1516160.305	857642.4508	828952.6981	1066346.271	391003.1389	1128558.079	1814456.207	2307686.337	907758.9543	1082856.496	569851.9431	1324466.843	749899.2381	1004273.766	644635.4666	1343553.348	564280.8041	1136905.935	1046211.648	654505.8374	634070.1082	747564.7944	15816.64858	1396942.225	1373797.154	1314549.964	13670.69611	1376591.1	1557665.188	1364493.426	10002.96436	1347578.827	1341276.406	1464564.444	11151.66158	1306925.909	1370881.154	1327597.851	13038.49663	1502190.747	1375862.327	1614665.738	16115.14718	1132614.708	1405373.174
LYSINE_C6 H14 N2 O2_11.557	4546429.209	5359400.915	4787623.22	2969627.863	2590967.22	3977654.644	3849967.833	3858589.175	4257242.696	144875.3501	2234818.367	21613.53142	4583339.571	3555285.068	3299722.035	2624462.682	4567432.168	3211135.755	4465969.072	3687813.648	3592418.396	3050557.461	1918812.379	2608411.379	3678323.568	3652421.365	2835745.252	1995295.06	4372017.437	3603331.582	3103927.022	4582195.347	2664696.254	5056772.87	3216613.984	4074271.25	2974334.664	4709643.624	5273983.282	4827065.106	4341231.011	7808719.067	9217386.551	5813610.828	8685041.217	6848770.475	3100837.748	3628986.735	2019964.756	2254066.361	3959960.784	3647485.253	2643003.082	3637023.596	2882266.224	3747384.99	2300146.67	3137414.381	3211246.039	2484227.37	3030521.709	4872825.052	4291756.893	3535562.541	3867127.904	66576.62934	2977173.455	2633758.778	3646976.326	3520688.992	3354324.854	4559601.907	2542624.619	3021384.173	3085570.377	3211795.095	220100.7903	3380489.611	513860.0413	810382.55	2409124.005	27907.7475	2676901.274	3268918.178	3811903.013	3772160.66	2590242.059	4471610.452	5421832.636	3477898.881	3405518.742	2966925.199	5469085.311	3510239.941	4805016.705	2549459.639	3300117.099	5011933.291	3815222.811	2679617.805	4364962.719	3223494.634	4665058.399	2225065.319	2937507.172	5377486.485	3427286.473	4136760.239	6248255.657	3737868.34	2606446.103	5063915.444	18081.67172	3385196.13	3545948.457	3991969.04	98083.60057	4339439.581	3438011.335	3756410.226	26645.38806	3354254.616	2499604.149	3411055.936	27220.26299	4475384.343	3974831.023	3060593.544	49168.85927	4285006.684	4008470.464	3075827.273	24607.19237	3586555.025	3841832.477
M(IP)2C 54:3;O3_C72 H135 N O25 P2_2.322	12257073.27	18893755.04	15571864.77	12473646.3	10562640.97	13700360.73	12007750.78	11628308.44	11279782.68	10612082.42	10154325.87	30146580.36	28663905.51	21927253.97	28219352.17	31248563.78	36732283.01	24364641.74	23272366.23	31442593	79718411.12	52635197.53	59792378.33	60774345.45	51838714.16	53600708.37	53205872.62	59135399.06	63413595.86	72665513.95	11481436.94	3787617.591	2958112.035	15444044.32	12628775.93	11556388.15	5649940.188	11313888.52	11053638.69	12510176.11	11558686.89	17113361.77	8480951.249	36694593.49	8595747.106	46287972.89	14122264.98	7184947.271	4357243.459	2355193.912	2858226.749	4666904.48	2427997.38	8387691.06	15623603.04	11624846.39	10314537.3	24675111	26370423.18	7444231.793	24731266.85	35573007.97	31326022.08	1742269.613	26475516.75	9305069.096	13263999.35	9489792.96	10879237.78	8673275.575	14613731.19	8976046.354	9859488.938	11679122.19	12577532.96	9637508.227	18683138.18	23828381.02	23298999.45	23610140.98	5441008.525	19559173.2	28266106.94	23708570.83	9864818.045	17795851.96	15554496.38	10105213.3	11624830.29	9838492.469	9471522.483	13038607.04	14167990.93	10698365.31	14613390.87	23918226.28	32692438.87	28047606.83	31120854.4	6689271.798	24211782.36	23577067.02	57886681.66	60487160.77	50427096.98	74000282.38	59128318.34	74537927.72	60193265.06	77722307.05	53579238.18	73440871.6	28202.23868	26002070.18	25593622.66	27313687.55	53954.89159	23925706.77	21634375.41	26924239.15	12340.81988	24533910.87	24117796.34	36051521.89	63315.70101	21959624.98	22978198.56	24580787.23	26156.22091	24118488.28	25867187.48	28982803.7	38837.54133	22544196.58	25203882.72
MACAMIDE 1_C23 H39 N O_3.498	37612.48361	236140.8307	13749.75858	16176.49997	11468.66157	20802.08469	13943.74754	11780.24971	12723.38686	12680.72992	9787.732214	35628.93759	15227.76715	13919.10389	13013.03731	20534.0792	21809.56877	20977.27725	15966.41207	16123.09436	12958.75365	11995.70369	10564.59581	10370.02974	10127.67579	16121.59052	10417.79971	28021.5972	11331.25785	36379.93745	13666.16022	24210.18361	25887.78871	11284.56313	13341.22555	10999.3571	14164.96688	13101.61509	20971.90665	11389.3985	14884.16841	25328.83023	13220.85088	15600.14195	10625.1267	13262.84716	32464.51725	15265.62607	24535.37837	11801.35665	11293.8069	9947.231964	14623.63762	9864.838194	4273363.405	11033.60245	12269.85242	44952.02215	11525.16133	11111.89235	19399.42609	22193.91124	9425.336151	10701.17879	29656.75082	11763.84257	12705.29557	11490.2061	11310.71597	32667.22922	12923.25278	14459.98319	13909.12474	15722.71188	10053.26726	14738.68946	20671.11079	23051.97213	15653.55468	11029.88963	15731.60378	14784.93644	11374.00122	14377.43503	27977.18496	12968.25776	10473.25189	13128.12358	10110.61167	19640.67156	11787.11635	10366.7404	22511.17132	11573.74716	11420.98551	38102.46467	19123.37624	54231.24834	21093.55194	22563.3072	13695.27727	29414.22662	18825.86689	10868.67449	10628.31567	19019.92286	16285.66108	9771.855418	23025.34326	11032.27085	10189.12311	12325.07971	18042.81043	42338.60935	35789.85645	36360.92304	17119.88988	47500.57186	47143.37355	44540.23333	7317.494937	35494.16805	42719.56486	42865.11032	8666.915232	40192.49622	42128.33358	33007.95092	11713.97301	45192.81084	42609.05134	49422.75516	23879.00216	34293.79803	41447.60621
melamine_C3 H6 N6_5.733	30323.67676	3058366.569	48837.56479	22710.9321	19897.38142	55054.27153	107855.8585	116432.1431	1735018.06	123558.3898	25579.68639	233718.9667	307132.3641	191659.4076	23720.89497	49677.58375	56296.10029	35373.82118	29498.211	29124.83225	190309.486	45356.61422	27956.26245	176230.2262	20906.50443	18289.90543	19941.99052	543681.4695	141018.4704	134122.6118	480419.7359	23820.54423	109293.9508	64279.94655	127789.612	21011.04598	30627.30761	21940.73111	53700.23108	22700.37066	129516.9165	180316.4278	27007.91973	143259.2513	93116.23469	21728.46097	135205.1086	678378.4494	27063.47402	90106.7407	138809.7544	159507.0701	21227.92579	385366.2967	119962.1966	63270.60997	21639.24785	22207.8545	138723.7726	239325.6523	43534.63511	123048.8868	19293.99287	69173.33916	21055.58525	587942.1921	182459.858	22142.85697	72134.49557	20632.73679	64432.63322	118254.4314	192418.8361	77045.04764	21768.29572	40865.64377	131495.1586	340534.3733	26032.25054	230946.4334	136275.8541	761349.0297	11957253.51	21816.49415	80123.86662	25850.69276	170804.3169	130946.5055	113867.0961	253791.5523	427797.3416	19608.64861	32648.15247	20589.36805	95303.15772	3137029.665	29792.4182	137861.2077	187101.672	82677.02695	127457.0599	483034.9335	94312.84353	74029.74987	22963.21187	25065.58877	21187.67374	17169.51657	20948.2086	18885.40312	253634.1088	161152.3597	27964.0965	299919.1752	296230.41	250921.1716	23820.17678	242072.4559	363510.6768	296807.1234	137227.6854	250831.9824	279828.1819	359340.3337	112381.0415	273206.7185	244769.4185	276749.8071	139383.2775	311222.5128	300387.1521	313410.7733	89781.2957	243485.0565	290967.0382
METHIONINE SULFOXIDE_C5 H11 N O3 S_7.415	212651.0549	264009.4727	227809.1906	133557.7417	211835.171	138550.403	105624.3328	135488.4597	147772.8832	123881.1566	131786.4381	264443.6801	246042.5914	208293.0749	188478.9055	224400.1075	243305.4134	185020.2385	93941.97337	321317.7614	341314.9047	205798.2438	182419.9563	260601.7263	302335.4801	83214.70164	177632.0237	104663.3503	145974.7329	198531.5171	175310.9961	277756.6116	234424.5963	464202.5823	208857.7469	97712.52938	149382.1914	273648.9321	155000.897	262672.5499	172463.3721	516016.181	746707.9967	329817.1329	283799.4737	297866.8001	11279757.11	6513243.444	4115810.381	7749540.492	9841201.723	9322852.714	6746155.596	7882966.138	7546769.068	7390913.047	5167006.995	19778198.39	20248432.83	19749670.25	20424660.84	25613436.67	16954807.04	17099450.9	16509167.03	6906295.996	10258840.29	6831722.352	9551877.981	6998919.699	7657280.24	5241488.989	6578029.417	7013607.136	4468997.479	6470743.941	19545018.87	23008566.4	21502244.84	20583514.85	13034064.3	16854034.83	22142773.99	7053504.851	496085.1258	576274.339	411126.7434	397840.1242	460692.3338	438438.9296	261067.5424	309807.5017	400263.6331	352861.0987	471727.831	1467606.043	1599744.288	1711042.772	1194164.042	1053239.34	1283507.089	1059148.935	2689052.004	1195781.85	1714436.192	3467979.118	1266155.272	1450174.297	3431044.893	1721314.922	1003792.906	3781370.354	19723.31818	4014525.694	4032859.909	3759029.066	28710.86681	3475607.193	3996265.237	4741486.724	34980.09612	3615625.826	3720950.122	4365982.101	16242.64503	4128364.802	3683856.782	3826346.139	20568.61947	3812482.08	3961441.574	4309504.323	38957.30326	3374438.841	4143118.943
METHIONINE_C5 H11 N O2 S_6.397	8885950.96	9668075.213	8893035.365	6850939.301	5471153.197	7448254.341	5841225.243	6980229.562	8523857.36	6248035.133	5224176.788	8690733.497	8328300.488	6868180.793	7448418.365	6728144.9	9966097.031	6010169.374	7557203.67	8301279.265	8166636.657	7585589.221	7061194.205	6088287.304	6809592.151	5457212.86	5699965.732	6032216.851	6753027.36	6831248.967	6527381.992	9619553.515	7225526.975	11193696.93	8048353.942	7217049.527	7896412.073	9104698.136	9715230.337	8135754.401	8529304.34	8978788.509	12810754.04	8475268.268	8009773.126	6841129.78	4700275.582	5508557.1	3253361.745	3438454.601	4523175.972	3860066.857	3891212.927	4351374.492	3600111.28	4563169.144	2839132.257	427150.078	600438.5452	120300.0448	108295.9193	123914.838	539767.4852	126899.8146	325186.9899	3030290.859	5443199.116	3495179.097	4337221.62	3985418.64	4706553.149	5308206.818	3267191.414	5075570.903	3989900.059	3521349.498	321390.0443	222292.5302	806609.8177	316785.6376	2937042.254	263923.7149	127558.6785	3837372.223	6809390.996	9158719.375	6392733.709	7030468.744	8320800.643	6902956.778	7259533.042	7290988.967	7589477.631	7017114.694	8971332.804	13604905.52	15494828.41	17780729.99	16812614.88	13606650.03	14957325.64	13480602.48	8650841.977	5692414.849	6664145.269	9682329.751	6497331.342	7099136.669	9471132.724	7961033.698	5319382.175	9162897.475	20137.97473	6737420.465	6926538.231	6471812.058	23901.98259	6273930.21	6355399.029	7564686.474	16917.92178	6549515.31	6344522.925	7079520.51	15850.23271	6298673.482	6293943.807	6829079.204	19737.05833	6955484.56	6691294.796	7140249.373	15182.94468	6183540.349	6549304.386
METHYLTHIOADENOSINE_C11 H15 N5 O3 S_3.603	6951461.657	11758953.93	13372957.89	6091988.933	6982276.937	6600496.79	5027824.183	9495589.571	9262698.304	4215111.907	4710579.393	5216998.137	5540293.286	4651473.181	3619036.244	3126115.693	2882611.416	5180876.337	5323443.904	8549687.52	4469756.87	1917334.135	3486729.14	3114070.655	3566871.638	3468046.876	2967061.169	2251536.24	2612820.478	3141843.371	8074558.115	10418982.63	7794896.158	8340931.237	6806918.025	3850728.514	4600522.782	4079168.569	4390708.135	4131339.477	6547625.471	5289707.244	10541438.12	3955904.996	1389290.69	2924916.72	7764641.802	7640113.32	7032007.538	5707432.342	7154883.439	8153440.863	3421845.884	5351884.282	5056797.913	5544769.472	2870184.367	4785685.202	6834318.936	2047136.743	4299984.251	2141909.96	4941384.308	3188243.913	6161458.282	3667465.951	4908298.514	7762062.914	6541971.771	8374691.684	4376574.363	4543594.949	4137261.075	6830711.077	7100333.143	4099938.734	3804511.736	7671330.816	9661419.038	3402778.725	7169759.373	1880888.505	2554650.124	4109780.034	5863355.143	9553409.103	4141344.91	4332281.353	3149865.574	5306001.364	5125349.061	4828436.98	6514920.386	3430449.457	6701241.342	8703498.583	9181576.406	7883617.63	8366288.532	6393903.264	6185979.49	7363557.27	2061935.798	1990414.517	2272979.961	3739349.043	2132385.88	2818251.435	2283664.663	2780642.891	1303251.232	1351934.732	32494.03826	4553355.931	7060680.39	8570484.483	20234.93384	3004615.893	7381131.898	8222677.574	21516.48201	2762277.898	6078755.277	9851930.106	15531.93555	2933553.958	5254667.835	7128958.159	19629.57404	4341847.684	6054408.866	10302327.03	19495.99728	2846114.083	5693882.021
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]glutamic acid_C11 H15 N O10_11.868	4882527.977	6993850.93	6994095.838	3899485.974	2823717.088	4128623.626	4260158.762	4977677.568	4938555.581	3713377.26	3648202.696	14018927.7	5272345.178	4890596.887	3986180.383	3202626.163	4717218.173	3319550.182	4687480.435	4745688.381	7202079.822	2682176.626	3899649.723	4222526.694	5193940.215	6304099.996	4983563.677	3088837.151	5237328.537	7133651.73	4212017.534	5006529.36	3179203.067	5364240.127	4183277.566	4189015.855	3438418.987	4153763.722	3692803.032	3267793.429	3637973.789	4345620.136	5525506.963	3869720.463	4622624.343	3512556.688	4867737.089	4358246.444	3212202.274	3835513.001	4766534.893	3577686.678	4880881.538	3984204.53	4883478.403	4479127.683	3904095.018	3369158.341	3696156.552	4478457.672	4450488.98	4577700.105	4460761.003	5217876.427	4024154.183	3475401.864	3324989.441	3688617.225	4979733.431	3657104.003	5482807.627	4795658.766	3720428.059	4122101.689	4670795.976	4270735.172	3981805.914	5321068.966	6252603.618	4376057.576	4603896.453	5173691.494	132588.857	4446467.092	3942169.734	5580878.283	4095132.282	4870389.528	4249109.735	3839406.979	5085625.308	3670485.851	5334567.93	4150893.217	4867631.076	4267896.052	4259599.751	4814855.97	3952059.247	3139494.031	4575682.568	3908785.694	3498355.837	3773602.672	3536180.985	6363550.106	4519754.862	5135770.516	4929931.374	4336491.068	4225429.541	3818913.505	14365.15992	4063939.873	4314416.852	5278957.316	27417.34224	4411971.943	3453465.061	4529191.16	29835.42491	3839413.977	4483223.381	3659380.633	19879.56785	4797173.134	4593778.806	3088915.068	13655.71547	5257429.799	5082979.724	4195405.793	17250.4564	3730480.079	4457535.365
N-ACETYLASPARTATE_C6 H9 N O5_8.674	7062689.058	12508713.89	11326684.33	8568684.702	6072426.533	6246070.019	7645510.25	12847709.75	7751820.903	6840742.077	8515381.893	9417828.644	9878469.707	8085378.629	7181700.75	6043883.951	10829580.53	6334104.879	9830389.01	12010690.01	8908030.446	9095939.517	6954471.692	6923839.795	11460069.14	7289693.081	10045320.04	9655352.926	10461061.01	14372732.45	7449880.386	10588127.05	8432488.969	12639357.22	7442464.414	4996941.223	8267884.37	7649428.66	6972316.566	6353769.389	7772635.978	12251666.9	13673637.94	8051910.682	7834150.045	6434093.762	11773598.61	6931153.497	5474570.869	8055271.799	10873112.66	8227132.211	7704217.006	8100527.188	9872296.179	8632913.081	8319425.765	6677411.297	7170541.444	11066387.2	9702321.996	9353449.915	7237197.237	11601481.61	9503561.855	9671873.809	11206169.71	8205216.774	12962304.3	11137336.75	10955952.65	9337830.303	8387058.926	10052439.76	10606975.43	10091802.13	8584549.888	11392521.64	9867532.379	11947875.29	8946369.937	11040800.01	11384299.13	9206219.537	6603653.662	8371193.968	8366607.009	10701657.39	9550992.39	6600084.548	9964633.839	6933234.636	8315111.243	6688285.682	8472765.045	6892687.893	10389219.21	11162154.26	9634613.878	6494982.816	8327766.242	10238620.23	8032263.186	9664221.149	11228391.83	15051977.76	12342676.2	5785792.565	14197072.59	10346278.95	8536622.067	7464368.436	35314.07767	8902896.077	9873151.945	9708799.827	28472.81042	8694621.422	9259555.556	9808679.118	36713.89717	9390083.391	8614299.039	9809755.926	35845.25117	8996811.903	10140841.25	8517580.043	34560.86066	10825488.49	9338070.99	10574681.59	68357.78501	6645378.908	9416552.609
N-ACETYLGLUTAMATE_C7 H11 N O5_8.483	1784429.501	2599827.283	3165347.443	1941001.15	1526895.764	1457735.441	2006055.125	2811849.082	1890904.15	1976149.798	2272636.738	2535918.591	2526226.119	2073434.543	1917042.186	1561189.904	2539172.455	1676549.689	2331889.817	3325763.01	2669825.614	2323214.603	2257704.166	1909211.149	2599930.802	1476789.487	2420956.18	2505080.944	3164381.824	3408563.477	2107014.968	2523815.097	2182683.897	2458952.382	1742793.042	1141084.628	1846066.555	1436521.815	1302389.333	1107354.57	1532605.474	2598083.885	3109907.957	1517652.338	1176169.583	792998.114	2495232.842	2139941.375	1318676.152	1837860.769	2380343.687	2055314.777	1985867.648	1956664.988	2384181.135	1842893.309	1772223.873	1712969.006	1748923.117	2457990.26	2348012.24	2262383.829	2011541.84	2684409.366	2526159.679	1988718.664	2393456.776	1718322.323	2704830.747	2359560.533	2432553.185	2339788.467	1832620.623	2292807.842	2546856.636	2372890.164	1952874.092	2467730.659	2883471.955	2643787.141	1926106.631	2483925.303	2914940.87	2247088.548	1591718.904	2207058.725	1937129.738	2290312.46	2183432.28	1700921.903	2244411.474	1827763.626	2184942.404	2191311.848	2382138.893	1859880.531	2655908.054	3186889.056	2662692.393	1900002.438	2644627.044	2614720.141	1656367.693	2249343.043	1994779.234	2514231.117	2098661.315	1351567.448	2303689.39	1943128.355	1554188.169	913042.4656	33897.59193	2116558.95	2149901.987	2325104.634	60008.21716	2161643.948	2153490.423	2363047.368	43179.89444	2179684.048	2208058.493	2361043.094	36065.58134	1977770.414	2121139.205	2171024.233	24370.59804	2530263.173	2295734.095	2406850.099	70661.09745	1607308.025	2209039.073
N-Acetylputrescine_C6 H14 N2 O_6.879	3988350.69	4830205.282	4485172.233	3120063.925	3875551.108	5973292.177	3948675.571	4387875.718	4427903.491	3091330.407	3619377.667	2339566.012	2482408.652	1535281.506	1353551.537	1702052.726	2000856.102	1882212.528	1541105.621	1908208.586	496834.7271	412815.3413	1219355.528	402995.9095	516024.3273	348504.9266	266441.3862	510860.9536	302964.0043	494316.0983	4313838.007	5954421.068	5414668.225	6312374.87	4149871.499	3026645.65	4404586.054	7296344.156	5683597.391	5678254.958	5086475.775	3846027.866	5740913.365	4354899.474	3036084.148	3473507.853	5140496.373	3935300.031	2616356.938	4909448.955	4607916.587	4667213.263	3606830.786	3597847.716	4276765.104	3879959.166	2563549.518	2807346.095	2488916.208	2687377.706	2539250.089	2026940.04	2053362.132	2758215.316	2541461.08	4293834.746	4625798.009	4330994.917	5096846.32	3928863.648	3890433.729	3458241.628	3548082.527	3991901.211	3013088.741	4122107.782	2271215.731	2756348.867	3117782.402	2049663.674	2782925.909	2810845.044	2367535.437	2143785.296	4603005.27	4317204.658	4765791.304	3394774	3815076.416	3630526.108	3072861.995	2398320.225	3743542.531	3446523.853	5470868.188	2646734.15	2070343.024	2641090.42	2279958.395	2237562.024	1925968.633	1957259.987	833115.3274	399635.4194	271444.7508	722330.6349	1176406.6	477486.3989	632934.1198	509100.1805	471576.5977	501725.3819	99303.77559	3184681.874	3428267.828	3298045.863	190289.1845	3188571.504	4012025.033	3245619.054	254998.9978	3077103.465	3081942.738	3243931.883	34370.50384	3223265.869	2812555.74	2869954.225	112501.3241	5302831.842	3018044.982	3396489.517	108177.4628	2737664.414	3362933.341
NAE 10:1;O_C12 H23 N O3_3.469	122337.1543	456128.2375	126872.9822	113091.7749	101122.3478	214279.0893	173504.9593	87589.53037	100875.3096	130702.5105	112574.4199	176775.5489	351927.8404	115323.1095	123295.1876	197400.3362	133629.8725	155460.0728	78120.59292	117931.964	232454.3886	119893.7016	125291.279	58212.41248	120366.3464	62633.54118	70615.07773	151210.6632	400207.8301	98626.55963	680063.2819	69773.42055	669665.4727	122420.8617	94466.56941	110736.5449	110588.308	115413.8171	204668.9654	112282.4248	82794.99822	170503.0407	150384.2955	296304.4798	46878.6836	126701.4488	113787.4484	804010.2101	81760.36554	143854.8395	114397.7712	125810.3194	112785.7701	290481.8463	109778.4724	143488.8501	86631.02171	99169.72193	126155.0804	366810.6438	107764.1802	65999.07081	125194.5306	182251.5396	75363.76083	171651.4478	190835.1967	143832.049	216407.1731	142355.3153	87182.06689	80634.80389	294008.7201	131513.919	71639.1339	123679.9787	108066.709	1783027.698	94439.87226	644629.6071	130719.6288	260306.0985	171289.9272	217369.3944	135246.0938	112541.7976	268424.1573	172109.5342	213013.235	221380.5369	38602.45453	73174.88455	142816.8183	67836.40247	143341.8934	793869.2432	107097.7144	339959.9067	120998.2101	118315.221	167231.3495	129063.4243	209905.6146	95246.36825	90170.71511	499828.3381	96192.53399	62504.38341	272744.5733	74024.46077	121605.1109	766150.7346	78474.696	257784.1016	275167.0402	235936.7019	97034.84909	287444.1664	288748.2165	244515.6987	25103.05328	282554.2319	266362.391	231807.4916	51099.94855	293479.0088	258245.5351	222864.0293	19192.77875	289570.8412	279003.0946	323560.7628	73258.19748	238478.2726	245887.0829
NAE 11:1;O_C13 H25 N O3_2.414	924462.6025	5453340.885	985087.1125	740475.8037	475715.0072	1271436.321	1049096.869	730717.6226	708109.7522	763308.8048	370737.7549	1210825.41	1796753.794	721424.1882	632076.9806	1309620.798	1218518.268	1245601.69	489746.195	848134.7585	2136048.486	694469.2916	763155.0975	524959.7749	715396.3796	533141.1244	453975.9338	685321.4068	3049923.468	484097.9931	4353029.071	458447.0474	3919798.584	796383.6441	795009.6591	465279.3292	554772.6522	458558.989	796376.2075	470632.4668	458088.8641	1175949.907	1007845.042	961457.1706	278939.3529	431263.9919	579913.0544	4003904.074	515679.6988	321634.5029	70920.9087	1150479.798	642263.5364	1059568.467	606841.2194	977260.0872	625553.4634	708095.5368	695790.203	2344133.696	682567.2502	535901.2847	992689.0424	983926.9872	273119.0659	1097838.554	1120427.983	853512.4633	1010454.009	765891.4326	440725.3822	338374.2719	1255979.387	958717.8274	376108.1332	482000.8989	777543.4317	8889279.543	454000.6747	3021831.767	755971.8121	1229342.581	542927.0995	725837.2212	878147.5776	863228.071	1308016.254	1166632.796	742870.8175	1352016.373	794493.6752	422707.985	701676.4108	317270.814	603009.6701	3696063.444	490955.0613	1558513.448	736322.2281	744792.3119	1347360.11	545975.3123	1014432.032	613568.1108	478210.5178	3581397.217	620211.3739	391884.9913	1163596.355	464178.9789	486100.222	2277102.417	480925.3786	1565391.505	1646351.361	1728521.702	688177.2468	1426269.446	1577386.091	1762551.968	786563.6054	1604419.639	1670225.537	1550688.841	625618.5454	1388342.825	1563242.383	1618358.185	598970.4412	1582580.082	1824865.588	1882637.598	493846.3495	1336229.974	1510880.582
NAE 11:1;O_C13 H25 N O3_3.418	1471285.208	4766966.499	1495482.366	1312490.222	990449.8378	1762218.655	1694443.626	1512374.818	1016050.971	1390557.888	923090.4501	1695612.966	2515327.035	1219152.858	1210852.503	2101515.186	1957911.768	1890775.346	1108926.916	1550710.278	2480488.546	1124409.748	1445276.521	1002230.882	1334595.842	1081585.321	962272.579	1368884.342	3999594.899	981054.9875	4409981.628	1042173.82	4477582.985	1599680.662	1335806.398	953936.452	1030061.558	1032810.586	1525882.169	991634.8315	892040.7469	1767288.272	1415212.868	1636390.786	557335.2418	935941.3378	1154348.235	3974811.125	950722.3786	1435834.142	1213312.988	1423144.743	1160281.829	2704125.618	1024485.44	1708036.456	1021633.453	1248661.785	1213564.836	3230066.1	1168701.495	940729.1517	1524137.86	1533960.309	887959.2202	1902398.331	1990611.285	1619580.618	1808992.825	1610103.195	1027636.949	944172.1992	1853646.772	1602919.753	945906.5722	1145706.007	1544434.507	12841878.62	871329.2292	4106448.437	1484014.743	2299784.498	1158410.647	1373262.836	1563400.792	1330581.338	1973722.391	1983948.024	1449669.97	2082783.675	608450.9405	959499.1377	1271947.613	837397.2256	1343427.144	4018673.529	1108503.964	2828861.149	1307838.964	1096303.322	2388073.449	1143427.166	1618143.807	1334426.244	1020933.875	4552146.605	1227908.237	882968.3298	2537946.572	1291408.835	1181169.725	4142292.269	814782.0116	2357494.45	2386753.393	2248553.749	877430.5411	2451723.236	2386206.202	2207658.425	393033.7555	2408539.583	2453970.658	2177831.814	435751.584	2482956.707	2333194.606	1931851.192	331965.0921	2776614.561	2326078.938	2698128.589	794173.4616	2205888.425	2227886.297
NAE 19:1;O2_C21 H41 N O4_2.428	269079.7459	489226.6121	585946.3707	528403.6587	387746.8351	335645.0497	393693.4434	280507.5801	545753.4951	257306.1693	463167.1746	543704.2939	563469.2495	256635.2623	417582.5021	274190.9456	406397.4374	298745.3893	332900.2844	322601.0403	44726.90061	20319.51284	21085.71582	30478.8931	20113.49625	15926.6225	28090.34458	28844.66467	24335.60146	21714.88109	926307.8309	796273.3451	374203.8248	1049720.754	960046.6123	798754.2105	739992.1284	964140.9386	1022771.297	645644.9717	704915.7443	166139.4218	213060.7932	146084.4153	65834.49349	75112.11252	348778.5129	397089.4679	547588.2595	399370.3322	542112.4182	534014.7946	446639.6644	354883.7209	551283.7639	584452.1275	499918.2081	269377.6699	200102.2798	340756.4166	234772.2662	295066.3641	569819.8778	610637.7816	404270.5258	371284.0278	498978.5923	354623.985	263060.1031	315654.5458	367648.8503	297316.5349	341442.8493	386721.6037	515474.7754	414625.5889	292866.3388	232975.9807	484739.1011	315088.9654	190517.443	535238.1754	378014.7349	294701.1052	351397.1867	483076.2909	614342.9292	667670.8528	381836.7086	520080.3725	317776.8752	455505.5724	373603.9509	279338.7804	543707.273	525976.1783	575090.2959	503157.8734	813741.5025	416307.5245	599972.0635	874809.2547	72103.04755	31273.42693	59024.2726	51274.48888	20122.44796	47944.95289	36238.72009	35455.40265	16817.99674	117615.6151	5867.461581	383098.8601	369834.8737	391659.9149	4694.512774	372328.1185	395629.5543	384059.2908	4159.691349	378002.7753	394753.6933	399308.0246	5064.869419	356793.1999	366970.2111	392711.5121	4089.676737	352107.3034	428170.2964	417897.8748	3770.832833	326311.0637	383016.6581
NAE 21:0;O2_C23 H47 N O4_2.473	68514.34672	875132.8422	240561.5623	45030.48752	911416.4515	108624.7432	64229.96718	77572.59761	215150.7995	24876.2312	169657.2154	179676.9694	306066.494	54830.79914	29219.5386	38515.69259	30635.32571	239176.3775	65490.30554	47735.29997	1683459.552	72677.4026	415270.6052	54017.60004	393724.7951	190485.9957	36245.27175	72673.52214	169621.4354	81325.84636	85663.46978	114587.1373	700075.7035	53891.73901	148313.2502	245362.6467	116531.178	44328.41317	16639552.23	113212.1199	42478.95611	114687.3209	637653.3251	205416.1679	20809.99762	584499.511	881729.1545	296289.7783	69998.86825	64252.60804	32253.95925	52011.64586	174122.8916	191729.2251	31198.25717	151983.0129	48459.55701	35673.61044	34812.87457	166066.862	65653.24452	75467.5	306711.7893	56301.77114	125486.1232	63543.27337	215006.5216	81708.63225	733003.175	54474.54018	212666.9468	44306.83444	172165.666	80645.68817	35405.34209	22679.74864	83837.59667	286607.7709	50579.51972	3887067.463	250026.4872	213968.0175	32578.40583	331837.2794	370465.2271	72136.97235	139409.2348	179591.3662	314640.5269	139140.0654	36500.35458	36870.32297	139718.3207	22316.98829	84898.75091	575143.7244	45980.40827	47478.4641	147541.4194	40043.87295	148008.2264	214469.4056	143242.7223	64848.61185	80123.54598	298028.0499	36734.813	45131.8106	1468562.055	141791.5518	182401.9226	561207.3442	10934.90591	226817.299	223372.2558	293600.933	13731.92877	242228.2304	204609.1417	244506.5848	11779.64371	232231.5166	235421.0018	250733.0484	8394.854628	221405.0152	237574.6394	245197.0484	8021.998305	245272.7006	242183.3826	248036.9002	8028.476225	222876.1539	235679.0284
NAE 21:0;O2_C23 H47 N O4_3.59	65471.75742	995652.9685	346327.8432	60267.26637	1104297.018	148008.9649	90998.26591	104724.8783	218330.093	21092.1363	187199.2734	300249.7798	396565.992	74701.4899	59232.70298	56425.04971	49543.30896	312502.901	63270.73913	76371.78231	1687840.551	101297.1712	555899.5082	61995.92721	515463.1862	241072.0754	50356.19075	64619.23987	176814.6759	97012.49505	125211.8543	155553.7388	1012510.816	85107.54956	153703.1619	341984.5707	152483.0549	31389.60685	19880642.24	90738.07638	44369.5543	148387.5235	704944.4155	267802.1849	20553.29025	720519.9746	1120313.173	413338.7081	103051.9367	77997.64748	39353.05572	51078.0989	197798.1556	246044.1353	41426.96117	199078.3781	65422.87347	43841.14706	52118.64674	228993.2486	84387.8525	93501.11502	420202.8001	48815.75106	157139.5011	89180.54707	331667.9156	113397.8323	1172500.13	108029.4805	368430.7893	85882.84568	210390.3676	85668.84711	43388.0279	17287.05364	117876.2122	468175.2002	73468.42099	6291484.442	349308.0533	304964.9748	59319.30131	412009.168	433694.0179	106648.7083	158696.535	270705.7128	449681.6326	192167.3674	45769.30989	50289.48639	157451.8537	32154.56937	93545.54735	669450.7709	58766.26675	42902.35246	211217.2581	41972.921	226490.9439	308216.6399	191928.9562	109084.9456	133984.4576	481284.0132	41173.56611	58321.97127	2505212.37	236028.2738	245230.9756	825801.8685	56617.99681	323234.5661	304610.5982	293703.8451	80929.70345	318988.6713	337329.1282	309378.2345	91513.6921	302376.5085	301353.0586	332163.7775	69197.1751	289722.1962	303447.5929	309135.8034	57372.68735	340467.2103	318407.3034	350166.9587	62054.7741	266718.5424	311393.6859
NAE 21:2;O2_C23 H43 N O4_2.416	638349.6996	1329283.415	1990284.142	1841692.579	1225885.567	1088150.313	1410344.211	734243.6383	1655169.474	906354.8852	1792468.274	2058243.674	2044575.895	819101.6901	1319141.916	979314.5099	1231749.088	1032340.664	1203383.016	934765.322	42260.45693	41859.96084	37513.46186	27550.57614	33888.75653	24221.05466	30871.95961	48642.92769	53439.26463	43188.02844	2330035.505	1768682.251	971528.8871	2450254.948	2041733.908	2273112.655	2139385.816	2314989.83	2661030.758	1497695.703	2106046.601	380782.5316	510959.3561	354457.6484	156738.9287	200322.4821	837292.7184	1209678.884	1600296.303	1461754.685	1545743.688	1641228.401	924249.2918	1208839.176	1867784.572	1639002.142	1467302.147	638110.1416	561001.2103	676082.3902	435321.6799	697290.9526	1120759.008	1716863.601	1035374.908	1080143.921	1700410.038	1138775.43	741133.2894	1058717.34	894069.8386	831986.5578	1024315.973	880560.545	1545993.153	1484832.771	921860.9403	567302.5886	1473278.638	674246.2863	524981.3126	1630449.053	887947.0797	764318.7233	1206256.335	1557943.975	2068478.33	2081565.956	1445248.65	1589991.722	942658.1013	1617882.733	738078.2374	773019.1992	1882888.431	1515379.808	1641152.939	1170609.143	2328398.761	1203333.398	1793671.963	2648053.575	133388.8586	72080.09127	51028.27722	44145.89954	50128.23884	46585.86217	109553.5072	90139.72513	31254.78048	247622.0904	7822.173799	1074917.212	1164100.911	1193392.624	5105.063666	978643.3956	1052949.733	1211434.111	5529.322261	1069053.281	1089097.239	1246133.709	4284.356617	1054210.643	983240.2612	1098492.449	5779.566727	1127962.542	1128030.778	1356084.063	5099.330736	923090.047	1052713.096
NAE 23:0;O2_C25 H51 N O4_2.442	45761.09797	734549.3173	238687.1298	38662.66473	793816.8313	98820.69274	65618.23649	78879.10805	142502.9715	24647.07342	288982.6258	200322.0881	250332.5294	36993.59066	30213.11007	64404.49639	47605.13625	287576.0392	48054.37749	61122.39702	852947.5636	65694.04373	597979.5855	47683.63499	339853.4882	164749.8825	42195.67331	36451.51099	136746.5606	102392.2227	87339.38621	105769.4326	457987.222	73411.61524	120634.3001	249466.2561	109789.9848	44408.32648	3504739.457	148178.5126	49076.75509	178185.8268	516906.0893	98449.31072	23067.05158	492545.9535	464943.785	158702.467	86543.69324	96179.4266	35056.00108	59941.06456	108271.873	167700.2349	31589.25529	157670.0213	46805.2302	41764.35014	49906.8207	174693.8761	64497.12675	58429.72247	275867.6467	58941.87821	103048.953	39051.54892	192774.1026	95628.16688	674871.9611	43571.10175	318768.7929	82518.91784	202894.2563	70626.27629	31936.76116	17131.74569	122525.5284	253576.9599	66850.75942	1880915.198	181842.9245	172875.9914	25205.50787	292559.4352	288067.0814	87337.99163	208173.7191	289549.3449	276289.8963	155307.4779	22948.77167	44867.4917	144730.0644	18151.78823	68442.45008	480900.3604	22957.9111	35504.69293	183900.2488	45210.83946	143040.6058	185834.9277	72946.21756	50024.32469	68374.71275	370938.369	31559.681	57617.67883	3250146.849	150858.5413	171604.2986	634512.4112	8546.055016	195432.8843	206379.8821	209689.4532	7842.812207	214821.3304	194546.8149	221703.3437	6729.15086	201668.7701	188792.5495	226265.7685	11842.84729	174420.6242	187334.7946	218901.4612	7581.234755	228916.6647	195254.9794	204987.0669	6135.626076	211640.8346	193040.5823
NAE 23:0;O2_C25 H51 N O4_3.518	51819.29534	757244.8384	267319.1462	45131.74936	886482.3161	116281.3159	81823.88992	110432.3324	120532.2833	16262.89972	297615.2458	194259.1316	261170.1507	46140.63317	31290.81997	77896.3698	41055.76646	303307.5879	44388.62882	41923.22673	746258.8778	71412.12115	621099.992	58479.54938	386639.8074	196518.6282	39830.71879	47641.52689	133920.6137	118415.4028	93632.89442	125960.3089	465373.6903	70659.83417	123433.9903	293818.1005	127373.1328	45312.86033	3837843.707	108377.6441	39398.3658	203348.2777	457628.5146	93570.23748	33109.57222	470203.4251	501272.5773	185671.4602	66136.35173	73123.74728	28998.79662	36581.42265	108356.5162	181088.8251	38052.6543	209122.672	59615.57437	48838.29418	46011.53689	179966.7359	66264.5755	72105.61658	330446.7615	59345.13585	124629.5152	49574.07278	208575.845	104533.6851	871335.8915	63414.98185	405266.1756	100478.6971	244365.7648	76960.24602	38085.50244	20539.67197	178210.4635	323526.3771	73326.21923	2412753.683	196652.5542	214484.7493	27534.10092	286817.3438	283493.4871	111725.863	239381.6728	328723.8437	368754.8693	135511.8079	46150.24281	46300.78601	148179.5263	18192.61686	76457.10124	528010.1544	31358.91714	48919.27648	183995.5693	51865.96235	164633.6537	177178.4132	92043.17655	65629.61999	73017.61717	399500.3836	45252.22186	45369.24231	4558371.475	242917.6316	207345.6457	736254.1264	39329.4433	219218.6706	247218.516	202192.9925	95736.88528	208775.8748	235437.6535	239930.4188	94978.5094	212655.0043	233814.5911	243773.4598	74983.60997	215507.2988	200872.6728	223194.0213	97351.82494	231778.965	188797.9411	268845.2181	83472.24495	205777.4949	225431.1004
N-Butylbenzenesulfonamide_C10 H15 N O2 S_7.569	3651659.121	4132027.779	4348144.995	3461269.436	2438827.706	2477927.909	2290759.192	2978095.638	4326173.825	3281405.45	2542850.094	4814433.581	3849782.441	3504456.025	3675082.983	4387236.978	4878960.713	2953456.926	3322765.607	4320881.359	4229611.86	4020674.892	3052122.721	3324231.041	3312345.004	2102553.877	3067311.189	3028592.631	3213606.248	3084057.312	3024730.437	5253126.923	4568827.134	4517991.093	3608333.859	2429361.061	3076521.27	3824090.734	3726886.499	4967312.594	3549572.631	3295889.942	3718835.755	3113347.878	2499366.378	2705857.569	6642115.505	4657217.396	3332157.758	5176490.901	5886247.43	4747472.7	4404761.516	5461358.887	5352887.132	4871574.241	5121615.68	6299917.327	5951338.983	7759808.609	6812688.287	6308448.841	6756982.087	6407380.866	6154552.394	5553262.513	5453386.546	4061068.239	4821031.183	5344830.01	5356035.194	3595451.772	4101037.486	4736943.392	3643582.608	5800070.736	4236414.99	5906707.372	6702164.098	5908078.697	7008514.789	5132126.799	5947038.051	4239140.201	4040893.901	4742695.059	3564585.652	4137299.387	5176479.456	3679950.643	4004097.998	3200900.55	4521216.475	4920285.644	4981004.945	5780352.673	7052761.437	7409796.779	6094872.516	5204316.354	5846898.117	5395075.478	3895434.866	3999508.816	4546166.419	8093969.655	4080503.263	3353980.628	4487877.668	4769633.456	4494608.526	3043320.012	1434044.677	4654583.74	5193661.069	3865313.176	1204677.422	3686367.53	5336128.148	5403399.352	877045.2464	4106963.573	4818346.24	5584452.481	17552.61436	4485233.698	4019221.534	4156772.518	1046863.708	4568806.684	3845479.378	5644626.144	36551.73688	4784534.053	4391869.256
Nicotinamide_C6 H6 N2 O_7.969	1236857.431	3190750.825	3633989.893	2278908.568	1877506.872	1347581.215	1608158.419	3102506.779	2358593.864	2156141.543	1809221.94	3025684.53	2552988.546	860738.8923	2505791.161	2153673.838	3201476.482	1986595.525	1689476.749	3318381.667	1459677.381	2800640.644	2509646.205	2544573.082	3083793.374	2603308.794	2724753.165	1970521.44	2069330.985	3044506.131	670888.8734	1417473.075	570123.4833	1595995.702	1342411.889	833776.4331	634812.6751	1090396.617	876738.389	597714.864	1640306.617	189066.3118	272387.753	339623.8439	206812.4909	113609.1758	3477704.511	1926159.356	1234728.421	2515683.025	3139735.786	2260587.052	2272069.727	1745779.999	2151482.947	2018273.846	1609615.444	2740323.32	3016662.575	3936766.794	3551903.062	2039562.726	2177665.006	2504442.109	2030193.649	2439503.973	2694802.26	2241546.974	3015559.576	2463818.012	2054836.227	1816660.738	1340086.409	2193312.985	2744095.049	2430283.956	1088767.402	3353992.682	1363607.823	3061663.867	3161288.15	2138889.839	2525943.889	2098058.095	789460.6515	2698207.324	2500596.509	2663034.55	2362610.386	1619819.622	2267469.682	1390653.434	2493277.181	1938832.727	2378297.548	2137442.217	2929721.14	3164828.94	2669455.425	2683556.124	1899432.541	2047945.328	443840.1333	870589.6416	1823948.794	1431708.857	2454866.034	1241319.798	864928.4806	1060772.158	1207213.847	720198.7452	12617.20507	2340626.369	2068483.647	2095395.583	10986.4135	1009223.405	2472779.459	2481589.959	9080.044126	2258008.968	2342804.175	2050534.112	33564.31632	2012294.973	1567027.97	1829642.787	45468.59859	2486771.629	2374675.608	2116823.684	18818.37447	1596438.988	2331659.025
N-Methyldiethanolamine_C5 H13 N O2_8.128	455601.712	4010914.059	2076329.153	2841641.115	1700274.548	1104605.916	845924.9115	3507697.119	3242977.005	1136365.439	2516788.178	2599623.708	1020576.455	423467.7637	3544031.747	2494225.036	3534291.404	122943.9407	423311.485	1007486.955	100101.6831	806822.5823	474823.485	683923.6945	1308910.075	1308547.887	501440.7102	348945.5922	235114.5097	165965.6598	191623.3577	4657600.695	3788301.072	2293396.054	1792169.469	743419.0691	495727.2121	2127343.297	2206434.514	2113003.249	1828278.631	2965942.293	195429.8999	2072153.95	211136.4938	759599.891	2482513.535	176509.8721	343142.8522	1563581.974	4109945.948	1745570.824	2307125.244	1177820.471	1173376.118	582765.7181	944520.4191	1500456.765	1036348.164	2681778.934	2598823.802	1138161.426	1237460.594	451190.0712	807499.9711	1535314.436	4002587.568	567182.9671	3664381.545	3648161.673	1447327.051	2145518.691	1107138.346	2345962.991	2031444.64	2494347.489	971754.9832	586519.8214	92023.19931	192840.545	1833077.835	662262.0394	911052.195	572551.2102	221721.8314	2113671.085	2771144.033	2364657.58	1033823.143	1753782.18	1087385.931	810071.1877	1706298.999	1977277.252	2631191.825	1172270.382	1981422.204	31208.24891	2966424.593	1105185.498	1336843.496	845607.3412	65201.88067	20522.16498	1271463.621	944585.1275	581633.6272	12194.2533	677150.5214	328777.3876	545847.5853	127542.1491	6180.310845	2080832.794	1184146.741	100439.9418	6262.403548	247611.7922	2407116.613	1505706.826	19066.95669	1230791.72	2753520.277	981226.763	30579.24834	1399875.11	710910.8981	1848654.789	39070.93162	1493835.759	1311961.595	2440789.042	67731.72155	802576.4245	1546275.265
N-Methylpivalamide_C6 H13 N O_6.898	1422070.703	1360323.217	1960726.65	1593244.984	1020285.191	1423016.35	1339534.735	1368977.733	1282976.89	1441138.921	1475695.234	868900.1046	1366824.115	2120975.259	913462.7697	874184.0926	1350339.644	1125105.716	1610001.174	1593975.81	2179626.751	1316952.77	1356554.229	1159182.468	1597133.446	802547.4582	1327018.197	1042581.231	1439307.639	2655184.827	1921579.766	767568.9665	1196130.09	1648966.492	1192696.865	1159962.108	1442703.65	727441.5488	672542.6074	1234959.307	1640931.671	1767351.828	1237709.359	1083757.324	843463.6031	1590126.692	1352525.633	2038923.967	1505091.026	881739.903	1233643.978	985196.2644	1563900.278	1038382.821	1422559.995	1052047.425	1374479.784	1393270.318	1683156.051	1205279.493	916004.4387	1117680.889	1314490.844	1761768.675	1641422.925	1195890.726	680716.2474	837727.1439	929468.8076	1688532.519	1367052.058	1561235.348	970231.5858	1785483.986	2350278.414	1255085.633	1720757.555	896188.0721	1174174.311	1315711.407	1238026.2	1591652.621	1295093.896	1619166.505	1049253.702	1302724.074	1300800.284	1327546.389	1451014.633	968986.3733	1810124.233	1668630.963	1318338.116	746694.8277	897595.0363	2196758.047	1053880.088	1154171.033	1570379.866	1171192.139	1549010.467	1704129.601	1457125.068	889357.3753	988413.1242	1278609.336	1178000.206	869613.4925	736285.5234	1136558.441	1230583.706	999762.1737	172925.4396	1195262.036	1446496.629	1959094.252	247273.3944	1304844.198	996202.5777	1371899.747	10714.15216	1153702.829	1149595.645	1925586.616	277412.0587	1214510.074	1256600.118	1555948.829	339352.1356	1435569.871	1639225.212	1117513.119	198662.2753	890161.9565	1689672.964
NPYR_C4 H8 N2 O_7.858	4187310.725	6829826.666	6155666.496	4183155.126	3915958.375	3551477.007	3974185.45	5245372.347	7482970.917	4295179.556	3698570.555	8077903.959	5770456.661	3097082.733	5161075.067	4427711.952	6511215.939	3329773.65	4298831.135	5976759.129	3038925.3	3967837.823	2724192.438	3277377.753	3374250.176	2824250.529	2907752.52	3284263.166	3510510.76	3182637.55	2953709.088	7985705.863	5608290.489	7859365.409	5621526.95	3772046.405	4454558.666	7005325.746	7712356.168	5327674.77	5898465.312	5194647.682	5595723.008	5419604.137	3089098.127	4329534.325	10652124.33	6568351.27	3468041.607	6740578.88	7217301.377	7440740.781	6467937.983	5872274.744	5573667.425	6836701.259	4072158.319	7215575.31	7390485.616	7834714.096	7510946.547	7068669.899	5933295.902	6803559.191	7346646.715	4754461.368	8707712.76	5346676.302	7448734.712	5412573.114	5849937.067	5191695.115	4179383.934	6643031.348	4859823.786	5366791.214	4353527.142	7575552.536	7169919.517	5924622.806	6332588.383	5662012.371	6985863.871	4390276.432	4462838.263	7170542.184	5837591.256	5982288.373	8399120.412	5202054.542	5810850.567	4405504.739	7613414.494	7375041.811	9288887.75	7717053.489	11633651.97	12384493.2	11005940.29	8718731.341	10059906.01	8645911.711	3345384.084	4352306.262	4630403.099	6419913.206	4089389.979	4735478.04	5935931.867	5125239.15	3681604.451	5673080.828	16527.03717	6729425.388	5951073.904	5665340.133	48925.18453	4144785.364	6870355.376	6905276.775	44329.39863	5752357.259	5716374.341	7022414.006	34384.13591	6548052.632	5496166.714	6183573.24	9679.317912	5345466.127	6252202.695	5709599.789	11791.84386	5636070.453	6496709.444
N-Undecanoylglycine_C13 H25 N O3_1.943	228513.2487	3955637.834	2373620.903	191381.6543	105869.0913	878587.339	223268.8873	1413490.26	169624.8463	238264.0101	158439.6578	520017.406	512478.4351	389826.5206	602299.7662	405539.2733	285607.1572	648716.5823	239475.342	317151.9748	410984.2496	315228.7599	501265.6538	463347.1577	529117.1057	133057.7161	209040.2223	174633.2171	6737447.963	140047.0971	377407.737	521225.4929	620023.2859	211270.6656	674329.4734	215891.3174	275154.5356	59270.68356	145119.4311	86286.00098	205436.2134	1646228.434	233546.9736	169354.9842	150949.1055	165830.4548	213107.2481	366914.2271	164184.808	126409.6086	244243.5805	454566.916	91764.28562	2285435.023	799035.3335	388787.8932	612192.5202	213578.3432	366447.6192	571991.4845	301260.0273	339280.2788	372236.3927	1342351.728	267368.1077	740615.7862	2837558.364	127289.5685	812509.1855	462927.6322	112537.3118	138887.8424	149723.6982	224248.6776	271238.9043	160849.4721	507509.4453	2181542.97	241692.0221	1947099.722	200043.6558	431587.6506	58689.84843	521592.286	244123.9862	133591.0898	417538.7941	8158737.55	580565.4929	458202.3709	193929.2819	154221.9648	222841.0249	107180.8524	545191.016	1828899.643	238937.3417	88629.27688	294270.0711	106969.4658	2613466.384	189572.7148	261454.3659	390324.4496	176638.9532	687581.9911	83489.93391	181599.4238	704997.0005	284899.9954	279807.8329	1325793.554	611104.8925	2216760.792	887279.8703	2643385.84	419684.1429	2234219.713	1699484.158	2423089.558	670495.9926	943144.2531	2360108.977	2224974.755	500419.0036	1532971.636	1615869.944	2063114.024	633793.9716	1946909.356	1982333.946	2132662.382	517118.5284	1723372.596	1869054.477
O-ACETYLCARNITINE_C9 H17 N O4_5.791	17473135.34	10404286.39	8475258.751	6090524.563	4395274.845	6953417.251	4810342.642	8191490.557	9212668.541	5414046.451	3855262.926	8618063.269	5672636.856	5500036.503	5354781.475	3860761.38	5343398.436	3859845.02	4519571.656	6562204.229	3900906.731	1682391.183	1538608.609	1836412.818	2738933.95	3925445.203	1572490.438	2858460.533	1824558.481	3767219.695	29720946.79	35405780.83	29562425.14	34757439.31	6828890.716	19982652.9	24726218.99	29714085.56	32804370.26	25614620.52	17250495.99	24221273.38	27835986.31	18320087.37	8061890.595	7786040.68	19270654.49	10404630.43	9676874.754	7016864.471	8162857.469	7039379.379	13379883.23	5805441.015	6441307.475	10681379.25	5710805.296	6527811.732	6328858.871	8561320.406	9519680.817	7695775.735	10008927.38	6183281.834	9022470.002	5820771.059	12728413.61	6654942.356	8840336.134	6991928.293	7731463.52	5345870.402	5200194.757	15109493.96	8075783.3	4952818.572	13648257.26	13619796.68	14809026.08	7390907.964	6926201.621	6215965.677	8776240.148	6536610.843	10001533.96	10925604.76	5423585.922	6429870.556	7176976.986	5481702.007	6272816.333	6893578.59	15221378.54	8193128.631	11519630.68	6170932.228	8166901.549	9438967.499	7566529.157	5819603.392	7607168.826	4279094.166	5952068.92	4867766.545	3616108.468	6467279.035	3455322.743	6050301.95	6175270.065	5288425.389	3917499.85	3929624.93	35462.93151	4007694.218	12918449.52	10157915.84	84492.49232	9524736.965	9296984.903	10015232.43	14315.8747	9017456.559	9032674.222	9876245.064	15106.76417	8931706.21	8826735.685	9822514.009	15610.60698	8791530.849	10035369.76	10299448.42	51691.35617	8427420.757	9176275.042
O-Propanoylcarnitine_C10 H19 N O4_5.313	807313.7508	1279154.563	1696036.953	914430.022	972220.2454	1073878.083	1062147.416	1066885.742	1506178.312	710022.4239	816435.0578	3112688.453	1999265.058	2678004.809	2151246.058	2413813.449	2866473.084	2533158.865	2880643.55	3291947.388	1632777.868	899624.2967	1064150.439	1223297.668	1699650.167	1975667.669	1105547.133	1858815.073	1212315.182	1661064.018	5116636.093	6325256.207	4715946.967	6768373.06	7112400.132	4425218.357	4345844.369	5232454.851	5449060.347	4063939.84	5208222.784	830493.5084	2316147.503	1603725.909	623701.0945	439409.7582	1162577.824	749852.0854	478567.47	1343596.407	1018486.123	995974.3185	763239.3337	961425.9158	1139816.2	1207705.643	834388.9127	1970207.111	2480530.504	2494394.349	2143684.25	2139837.94	3128802.904	1556080.302	2068937.33	923461.8593	1117350.483	994652.0683	1030094.648	913030.5012	993550.513	747783.5505	756893.3619	669342.8326	606768.4281	835623.6262	2661208.931	2386936.09	2417645.114	2778975.989	2192428.29	1658394.111	1857440.317	1833430.036	773592.1723	766286.1545	677601.5603	802269.7547	780377.1965	635702.2891	566430.9808	462486.1667	571504.451	618711.6051	986099.5176	2143989.331	2758964.147	2948112.097	2729870.025	2506915.319	2383285.96	1644837.882	1533292.745	3618445.922	3006560.656	3095516.058	3625563	3563274.281	2798793.336	3125407.355	2575097.822	2265650.426	18144.49986	2154279.894	2065103.319	1984752.804	16886.4839	1995851.128	2085773.017	2230363.824	47873.26551	1996063.632	2049388.16	2237122.374	14737.79686	1931967.51	1941381.656	2179515.627	14369.94078	2117085.164	2252705.514	2189568.662	14258.02148	1819444.002	2034751.7
Palmitoyl sphingomyelin_C39 H79 N2 O6 P_2.4	61662394.38	67631222.24	92187302.34	37140187.85	60218052.34	74385659.2	76109709.5	53753796	53914311.72	71043181.95	69497038.65	46254403.79	79965500.38	53212266.98	67341549.17	78381344.65	60449026.19	62629770.55	92805037.89	45499814.7	54573197.29	68508002.17	76760122.07	70830791.21	80419371.55	58200541.54	88928508.13	55591589.34	126125627.3	88880041.28	50496758.15	70435023.02	71401426.66	79770840.34	66489308.8	89095552.32	75712367.55	62127707.52	66645589.37	65099782.14	66129897.51	95460209.02	43613798.44	55863322.24	31683613.82	69442227.01	51566380.71	50126520.03	71319154.52	86069689.48	75040048.68	66140978.08	70085309.52	87995430.19	88314435.11	68345072.84	76049514.02	62561970.14	82832449.34	77194623.42	55762533.67	56026684.65	68333218.22	108888388	79518595.9	54923304.11	50751278.06	59341395.74	62433756.85	70458724.18	71838884.01	65692422.16	42228683.91	45745183.25	85259144.53	66246579.53	54040807.65	54170000.17	50306640.63	59422146.02	61340145.23	73129296.68	70823719.69	67164108.23	51835533.11	61307224.73	71763398.66	76646237.4	85981376.06	60186762.27	67497584.09	79653540.11	69751553.91	50333375.93	84983001	50671262.26	70610353.4	59213822.49	76596832.94	55077196.77	63244861.06	71890988.24	51733180.36	64306166.43	50881448.63	70671481.91	67104630.48	61104619.81	55905718.65	70751721.92	67458918.13	92943360.84	8725.268364	57859302.83	59689452.6	63184517.93	7566.006865	57793868.75	59857708.19	68123631.51	6931.36033	52735819.52	59353540.28	75752091.28	7379.017725	47960880.06	58036228.57	58160010.77	8882.250709	53062669.63	59060304.25	71882321.53	8031.993997	53187224.44	60201041.82
Palmitoyl sphingomyelin_C39 H79 N2 O6 P_3.389	15180465.34	13291507.4	22188944.39	8623858.567	12754405.68	17815281.34	15608989.12	13136731.44	11756582.21	15335225.93	16247199.68	9024829.123	18384675.17	13097661.53	14993355.72	20114371.79	14029515.59	16032309.63	20549162.7	10160734.91	10332591.35	16836645.35	18395869.26	14824936.49	19530315.68	14333348.22	18405636.09	14465627.93	35882229.89	16796217.16	12751012.73	16304826.74	17679025.57	17396544	16393472.28	22175221.54	19198794.41	10028386.31	13991604.93	11019444.89	14298685.49	23190125.03	7684240.607	13666635.56	7221146.17	13541641.23	12854137.4	11586912.12	17765806.54	16395414.41	15076524.6	12606445.03	16171076.38	22326175.32	19286117.51	19324474.09	20145551.98	12821460.71	17517075.06	18720925.64	12341844.81	13233793.55	21690708.37	20710901.75	18355232.76	9832597.404	11453403.22	14096089.43	17816303.88	23159377.89	28984900.2	21712764.02	10798157.57	9961306.097	21965797.93	17249380.9	13775070.51	14310063.79	11759963.85	15179907.61	15620496.87	21379468.66	15799184.3	14399271.68	12167268.43	10561511.56	16890452.18	20670279.67	25650198.78	14662538.33	20488483.08	28257729.63	14335028.49	11530127.42	17359187.41	9411459	24840262.85	17713230.58	21181635.89	11666265.5	21493878.33	19516763.32	11797703.61	16281954.02	12268624.43	17755577.27	16555558.04	14313499.05	16732920.85	24634130.19	17846592.1	22355300.55	41966.58124	14996231.75	14193907.81	15011720.87	36013.18719	15513179.03	14146319.71	15102288.91	33249.4707	13482359.79	15248526.33	19702500.71	38225.71631	13695257.25	14153845.19	13033514.32	56189.00398	13711837.11	12400829.93	14151065.79	56806.52988	16238126.79	16102669.97
PALMITOYLCARNITINE (Peak 1)_C23 H45 N O4_2.416	733203.4969	1273106.087	1631694.05	1455655.464	1053995.673	914280.8967	1129987.126	728413.8516	1303705.089	873889.3707	1233513.84	1346006.676	1631737.012	704030.5181	1059352.158	978356.3788	903233.1128	877072.3235	796463.185	690729.0112	38492.29511	45848.03598	30529.08485	45053.48904	34632.28859	29736.34729	34674.07204	71865.34966	77002.91297	37265.80372	2484807.329	2484145.17	1308441.52	3529635.252	3017173.433	2660299.095	2595559.514	2876370.126	3266812.106	1988063.605	2385170.913	924207.47	897138.2747	552120.9057	403593.9754	540813.6927	954403.9852	1132686.557	1312642.221	1074668.756	1365515.616	1174366.237	1227309.456	847466.6481	1400057.594	1495701.756	1195473.693	640511.8449	631436.9764	880533.2663	599352.9082	737949.058	1498369.308	1615333.773	889909.8338	909816.8074	1321995.426	1062966.84	824536.0848	835772.6314	1028247.447	833282.4205	751473.698	1105033.626	1352916.613	934002.4697	895095.7834	760825.6572	1262496.162	994375.4203	583734.5967	1418445.708	1011184.823	751030.2858	848814.592	1522376.754	1420365.681	1671682.892	1109653.742	1166251.874	916514.8049	1181304.44	1023428.587	669918.5945	1561614.284	1322623.806	1608504.338	1098488.158	2212616.402	1002759.724	1545259.492	2327210.701	412804.6237	60556.65791	180797.5125	298416.3037	65356.5472	209108.5262	351642.2975	222773.6136	39281.87184	584615.8199	7884.739174	1080993.89	1116283.145	1066219.431	7391.284769	968965.2169	1039547.563	1197814.749	4568.775149	1120212.728	997875.7554	1118934.859	4281.608272	1056705.207	1044625.518	1045174.988	5743.11711	1057253.82	1178945.517	1190288.86	5065.181808	929720.352	1055792.916
Pantothenol_C9 H19 N O4_3.429	382652.439	591623.3124	71822.973	99196.89293	149182.3627	50507.70037	48917.90323	41393.56989	34555.93337	20175.78733	16585.18057	50108.1083	132060.7514	101502.5087	92056.13851	82650.47556	115759.3405	109022.1239	29857.20231	39020.18968	2687039.054	94500.37405	101070.8684	103806.8346	81868.46477	72969.52214	54961.5349	28126.59872	45486.95047	20856.26168	73396.60009	95127.36196	185984.9309	82501.59691	45479.73531	38727.79356	25904.11815	16435.09154	20504.92344	21814.6198	25959.93779	85533.49061	130420.7927	138805.1093	26134.85352	14343.40612	118779.7858	77826.14611	80856.26445	81661.76608	70981.55401	87080.16332	77049.16705	80792.40556	37386.53231	33760.32325	28508.58517	130367.5197	67655.1042	66114.75176	91223.93283	58616.65913	81518.19954	28272.36913	21212.83907	69991.53171	316755.3071	95739.87002	150011.3455	58724.12391	96727.22101	11312.04622	69097.23818	63083.04208	6436.728862	38555.94619	74404.7398	138117.0082	39848.85339	111410.5525	79611.07712	43141.37962	24231.60308	56669.29562	246545.1563	117809.302	149288.7142	93215.39722	11376.68246	396124.8154	12900.54804	7397.246342	60044.79823	12748.89044	35494.16333	376698.6456	87465.31782	79821.9179	67373.54141	89408.71812	40846.69768	29068.51216	89444.56458	118866.0189	82849.30744	121925.5319	89382.24331	78313.47313	62983.98931	45758.07236	70235.69571	29257.41385	17376.28629	108926.4414	98380.54357	92082.58335	16360.87176	89747.02776	118662.4314	100261.9769	21173.17949	82443.43653	97074.47448	111615.7831	11418.53935	100650.9343	75772.88565	65179.82237	14810.71102	110292.6495	113749.581	135831.6838	5223.938134	86063.42363	86189.47561
PC 30:0_C38 H76 N O8 P_2.185	25507616.74	26020539.97	14551030.1	11084625.27	19167993.39	22998702.93	27940482.26	25742430.48	24501721.59	22401348.83	27461125.08	13608188.76	24504816.33	21839338.96	22412802.33	22438556.93	19881327.3	20701523.53	23947643.13	13530107.98	17952712.65	21242020.61	22745449.41	21381493.11	22202706.01	18739889.88	27056105.35	17423467.26	32479145.41	35438851.28	20789867.27	23713933.7	10616202.71	27171918.68	28930351.1	33183764.37	23366318.99	21300001.01	25909109.25	18406548.52	22268416.86	23525138.79	14382174.83	15494861.96	10393123.92	22270762.8	20270386.52	16895911.09	23126958.84	28621725.15	27826425.45	25040096.19	29558501.29	24523061.59	26488077.21	27339016.18	11698263.87	20675344.61	26939393.89	31399112.67	23204635.35	23552413.47	24616828.4	34955974.1	25173232.03	18828044.03	22147464.03	21614257.86	22458424.34	23430945.46	26022107.56	21498824.77	18369496.02	9492164.996	27429799.31	27735912.58	15016720.61	17797500.09	19167932.82	22123548.62	20989091.28	26405853.14	24727918.88	22471718.63	20133348.36	10048636.53	23385020.06	30058030.75	26106334.94	18431834.14	25075986.92	9739858.326	29684090.12	18074184.5	29140888.2	17281702.2	19804097.08	20037281.02	22401459.03	16565921.52	21024210.09	22575882.41	16917114.46	22855009.33	19843141.97	24953138.3	23152038.73	20090868.57	20897553.24	24617602.06	27743473.41	25629996.03	19145.28253	21119286.37	19917429.69	21890982.53	16634.47943	20337663.65	20434925.22	22030283.88	13655.77478	22383141.87	20662204.39	25313968.6	16643.34339	17025498.36	19222201.33	21128877.7	24344.00362	19995209.6	19112320.19	25318683.02	31287.85374	19338131.41	20886127.35
PC 30:1_C38 H74 N O8 P_2.191	6845763.627	7860004.506	7945494.892	4814510.433	5632378.957	6113961.638	5183386.853	5996359.92	7443382.648	5083475.91	6001804.992	5230362.043	4757194.258	6304532.832	6469909.276	4366840.354	6370405.72	5345398.851	4710241.666	4292934.545	8401179.651	7097296.852	7591913.192	8192329.138	4617712.286	6969940.834	8325830.73	7277296.161	9423065.474	7979322.666	5957100.885	5256643.133	4751481.735	8143370.492	5567270.129	5023461.446	4810132.536	5655717.331	6217611.27	5017711.264	5228975.255	7741300.926	4367933.054	3456603.69	2436737.64	3788478.916	6669374.677	6976380.157	4602522.269	6407542.477	7879380.898	6419899.939	6415645.697	5938147.887	7100124.391	6376483.792	5222230.323	5505389.701	6555801.935	7993051.908	6974037.468	6766479.932	5886784.272	7143825.965	5389501.006	5159523.321	6081757.753	6545858.295	5803678.914	5617100.928	6274032.074	5606300.545	5005917.886	5950180.586	6094023.438	6267828.28	4978960.817	5698432.057	6411666.348	6447358.168	6457878.72	6497240.54	5819710.118	5383707.898	5989795.908	6532433.885	5983255.13	6761616.618	6172796.8	5142269.332	7226374.225	5093645.241	6333292.919	4734816.55	5777899.45	4423840.905	5020416.235	4983099.549	6582461.276	3724389.394	5860209.863	4134915.121	6027241.313	5608479.294	6812467.197	7334773.604	6858978.577	6526460.819	5508380.859	6016992.653	5587469.37	4315254.617	22615.859	6331120.328	6170459.628	6654210.965	19078.172	5459074.339	6409905.128	6279064.856	14755.4334	6958028.169	6288948.571	6470371.888	16420.80703	5401118.349	6244558.748	5497894.803	21304.47713	6286553.087	7227746.179	7747666.084	27138.10007	5194852.695	5711904.392
PC 31:1_C39 H76 N O8 P_2.255	10663984.21	10473729.06	13401453.08	6235879.149	7012276.199	10029701.51	10501555.49	9878952.846	7261726.083	10566441.36	10905241.75	5752281.442	10586259.04	8444565.927	10421988	10559978.74	8604672.565	9170911.295	11826560.91	8265346.89	7551687.467	9159896.457	7290346.81	8291779.507	9157903.436	7912266.72	9490956.593	7003660.657	13759313.65	8684416.234	8734440.102	13141803.66	12426875.54	13972939.16	9942014.412	12859585.47	11077507.48	9083521.877	11888381.75	9291451.813	11131286.16	13437268.69	6419719.218	9069567.627	4714977.843	9466494.351	11403974.7	9711248.589	13074791.3	10858734.24	11676910.47	9783639.646	11695658.85	13681849.42	11328506.07	12294244.8	9926956.099	9967549.044	11457985.81	12033620.43	8903798.247	8340787.003	10598375.51	13566183.91	11346638.06	10712745.43	8546516.095	7531803.204	9998561.283	12238853.48	10877553.24	10145354.05	6966738.154	7564485.96	11499760.41	11322774.89	7809205.881	7843879.304	8714822.123	8016131.814	8266554.188	10730394.48	9244270.498	10003454.91	7254035.807	9955026.461	8902407.255	12510563.73	13296663.72	8866293.585	12804879.02	11708296.13	11193876.13	9052651.605	8376939.888	7478834.716	11219062.63	9873345.342	11911815.94	7045189.943	8507352.718	9393380.494	7887113.93	10918952.4	7965351.843	10126706.64	9578823.115	8489725.404	9269355.217	11748286.85	10644514.37	13281600.49	36882.88724	9790662.32	8109420.666	8989464.023	32775.41851	9515868.865	9272680.382	9890264.432	46110.73664	9061608.29	9581886.138	10494346.4	35295.61822	8063815.691	7843099.968	8811071.976	57718.54752	9564484.72	9641322.593	10496329.67	61903.2382	8283329.394	9033765.758
PC 32:1_C40 H78 N O8 P_2.158	76784749.52	78203257.02	97216716.63	34100830.71	23675275.89	70572223.15	66695458.16	70912958.14	69146948.54	60680441.75	63747731.93	48086555.91	74589252.79	67667241.98	70179228.29	68017685.42	69235828.7	64426531.87	23091767.65	42999082.36	71472000.12	68875660.51	25618497.48	68019046.54	82425530.85	59658765.98	81800188.81	58004107.31	79519227.53	86408667.8	65277205.45	89231775.92	63779031.72	86857138.39	63193224.54	70339246.33	51010974.63	50345147.75	55196217.52	59112859.15	55838271.75	81753393.19	50226101.01	53372818.46	27255118.35	50053151.46	68584666.91	60714694.09	35023890.32	83001186.92	84499936.46	69066659.49	57791109.37	67028638.81	73160515.6	79240274.12	77334663.05	62835214.79	64453505.75	33178617.22	68952849.12	65396064.67	72473451.52	79782304.69	63497043.37	55037733.1	27611150.63	67285164.63	74642734.06	62589926.45	67935527	61088534.72	59576989.94	62450362.17	73268890.27	65974353.99	59076442.76	66267593.85	52401463.86	72016641.44	65796252.93	73087424.79	73064220.37	66304737.22	63978626.46	58960185.15	67491433.96	82456604.5	76829900.41	63362474.88	66512832.29	64907498.43	80579217.66	51644118.56	66765378.46	23696581.27	62280791.08	62576424.05	70082430.58	61214618.85	63030233.81	57939619.32	64665298.87	72611950.92	70872607.3	75379483.48	74808936.53	67341557.21	65735716.97	70446572.55	62577315.23	67379846.07	21534.39487	62913170.85	64302277.35	77238940.45	18901.77363	31482021.93	65588475.84	68955942.45	14695.63105	66716699.42	62123460.14	68650295.89	17529.7757	54248408.86	61910983.22	66583935.07	23832.30751	35977173.25	68890839.56	73642920.61	31603.125	64365763.22	55351024.93
PC 32:2_C40 H76 N O8 P_2.162	11912504.5	12240574.42	15043851.42	7998254.871	9154827.998	9476267.527	8711764.755	11676408.19	11363463.7	7481424.853	10036568.06	9431542.983	10319670.59	10665545.58	10363373.98	8594303.238	10811462.34	10072769.77	8804053.656	10871692.23	16969462.42	15141766.31	14869854.84	12943545.24	18459693.58	13960935.23	18726076.92	14131212.25	17613768.97	19787487.79	10661464.26	12215610.23	9618703.044	13495829.95	9987740.017	10019141.3	9634321.71	9202330.86	7811704.329	7868528.169	10306399.33	9889788.989	8412071.624	6897270.206	4046676.51	6839256.474	12788396.57	11778373.34	10767065.63	9960215.831	12846936.61	11597038.33	8869872.859	8318766.557	12451569.98	11524145.7	12907774.93	9822277.458	10158776.57	14262268.14	11321143.56	11699460.55	9615227.354	11624534.84	8462182.22	7881651.481	10345186.52	10386904.87	7745666.816	9233263.276	11437611.87	8252479.01	8588586.89	10424034.63	12231975.4	10549858.94	9346068.043	11132740.04	12343140.6	10016555.25	9172415.891	10823365.47	10457752.01	10502820.66	9238135.854	8530917.85	10372662.84	13860225.26	11013532.09	8990866.332	13607711.07	9184112.315	11669481.25	9430891.595	11866092.41	8448602.056	11191055.1	11219817.19	11344664.27	8926539.917	9941352.635	8596908.793	11407314.4	12591181.95	13465301.66	12105502.88	11724406.76	11100246.44	9023954.239	9396468.196	11102161.99	8151820.454	23025.41124	11402706.29	10640809.79	11954764.87	19709.50929	9266248.327	11080502.82	11849712.94	15319.49355	11852728.45	11619587.19	12433646.79	17939.48908	8315218.371	10086091.29	12613996.02	23535.63886	10106650.92	10603626.46	13271624.83	29988.9275	10466895.89	10239541.18
PC 33:1_C41 H80 N O8 P_2.148	10613191.98	11901868.74	17644625.98	6631597.655	13064599.53	12225683.69	12968187.15	14021125.22	13373786.45	12889005.76	14368690.81	5079112.998	9758279.838	10298264.53	12565087.03	9802214.525	12903738.16	14009063.82	14448003.48	8516333.614	8943603.978	8715858.509	9854624.876	9840590.95	10390600.76	8845493.88	11177020.84	9122673.766	16729140.83	12019688.2	12088437.72	15178420.37	10414547.02	17303062.75	14515934.82	16941746.93	16082533.74	12819411.43	11049232.99	12740247.13	11248104.8	12448234.52	8759370.601	12096502.25	6652850.993	13880416.76	10304801.23	12234395.27	10611752.2	13516785.93	16508898.74	14395281.33	12157535.33	13030019.96	16860457.45	15045154.34	15766076.82	7972535.97	14921636.37	17118528.93	13591787.07	11940858.6	10834558.4	17738053.45	12156064.32	7632383.4	4749084.296	12962304.08	12783705.48	14696850.58	17682521.04	13132734.11	11768896.81	13755320.5	13340150.14	14597933.32	9677795.25	12532900.36	10371813.89	11617074.01	11862932.65	16621646.2	10260566.49	12534588.78	11750073	13042803.22	5146792.121	15668001.7	22959890.14	13465636.96	13217462.49	15032973.26	14787362.88	10619952.71	17426597.77	10131012.52	10410671.52	13057436.31	12292475.42	11297448.03	12145110.38	13216506.13	9403793.531	11030942.04	10457557.43	11318853.86	13005473.37	11737235.94	13516864.79	10824465.84	14474395.23	11807235.17	20238.79826	10639533.34	11588148.43	13005325.49	16181.76782	11735258.98	12385060.76	12040507.15	13812.74557	12668374.99	12954581.44	10007821.78	18694.03169	8114360.432	12031076.91	11677816.79	28564.49583	11931230.7	12352096.75	14906011.17	33742.28382	11580282.22	9772602.531
PC 34:1_C42 H82 N O8 P_2.135	302978138.2	289474535.3	347875532.9	142047283	247344869.2	282241307.1	280336622.9	273220082.8	244966142.8	244759160.1	305678169.2	167989267.1	272005378.6	243784656.4	282491647	290910852.3	259289682.1	273522739.9	323108264.7	176113400.9	243869037.8	219897469.1	124191016.6	220947850.3	268311407	187449850.5	280573879.5	201357399.2	326409074.8	321995260	241417921.6	315631361.3	292395548.2	340270320.9	296487766.3	305547043.8	299198929.5	262458936.8	253524176.3	250327155	239815156.4	297135557.8	196537385.9	233228530.7	132432711.3	250142900.6	283929340.6	250630309.5	325111195.6	336544039.6	334208170	284156128.2	138408990.8	329668827.8	323276682	288591040.3	304142995.3	253955347.2	304868646.5	335527591.9	251412632	246578205.9	306293110.1	381327111.7	245731896.5	209802699.5	231884237.5	252203389.8	262379130.8	285251146.3	307868204.4	282509053.5	208764192.4	259561835.2	359502211.7	309571123.1	232893409	244283790	240720126.5	274240029.4	231190965.1	299069417.4	300669095.6	293037642	239411281.8	282805881.3	270248634.7	384534324.1	334866664.4	255793448.5	257714392	290199488.1	165557552.4	222588884.7	329689155.6	212760442	267031279.7	257979410.7	299023788.5	231943474.2	265278009.8	208067431.8	229567425.3	271010912.4	238321573.8	130665077.5	283583501	296371610.8	279066137.8	291351364	279342025.6	347393997.8	35582.66081	243738724.4	228467527.5	243317279.7	35204.41713	254067462.6	236113935.9	253621023.1	24322.53165	260755017.4	250724162.1	271435659.9	44404.91694	206282736.3	226487266.4	230315690.9	54621.81912	214866034.6	270650639.2	288850414.8	58932.72977	220178947.5	234384690
PC 34:2_C42 H80 N O8 P_2.139	75571649.67	80141176.94	89460117.72	59247549.75	56528329.29	65600684.69	59800080.57	70599371.77	72552967.16	65419126.26	67284905.12	59750543.6	84822400.98	64465585.53	75582099.58	69747525.78	74790672.04	70832272.25	65141756.47	66993677.33	80575549.39	30969711.41	66580335	65409372.03	83284033.69	66608760.69	85160216.59	66926383.31	80907777.75	81241253.05	29066190.4	81103377.36	69755782.25	82006090.76	63146084.49	63646409.09	67790887.86	68058951.3	28400691.06	59887750.22	68596285.51	77373106.17	56316062.18	55773748.58	30367801.98	53192259.8	84628762.77	74052659.16	79298159.13	82910697.89	85771329.16	75320810.98	38143777.58	72871643.45	82635392.18	65409695.25	70835066.49	59418088.42	70053578.08	87402666.53	71391284.85	77381391.24	65907841.4	81059195.46	63005808.11	59163168.51	65164993.16	67692869.49	73266614.03	67314289.46	72870912.95	64140466.91	58384617.2	70139838.29	65705596.89	66736322.97	61029334.76	32390571.47	72280284.28	75704479.84	67478391.13	77480161.98	67134990.31	71253806.98	60824375.52	72212727.33	67396266.49	85742851.03	73921517.15	62407279.73	79066725.47	52695335.02	73608005.29	58742246.07	73440629.13	54918119.1	70899248.22	73303650.23	83724720.07	46093130.86	62348558.34	74846563.52	63930668.48	64508900.56	67090310.24	69400421.97	75341232.86	74862391.05	31704046.94	66147458.55	59188446.54	72051130.08	44739.20133	66334884.53	65418861.09	70406549.77	36532.58802	68429306.01	67027116.57	70507038.11	28188.80167	74312113.11	69505590.45	73310811.83	34176.12283	48123967.73	67203624.27	68891125.16	50726.69409	65200825.28	75611705.53	80605846.87	61195.00822	61361417.86	61380437.55
PC 34:3_C42 H78 N O8 P_2.141	9662040.611	11357790.59	11820291.89	11601884.63	7771964.94	8128433.229	7527260.521	9981709.427	9472268.365	8830211.486	8852916.053	9344494.447	11770285.27	9989374.767	10100779.65	8770997.931	11015827.91	9930936.811	8043568.95	9717970.488	17131903.06	15990386.93	14803369.02	14722064.84	15652122.04	11797648.21	14206732.04	13045701.97	15652172.42	14862144.36	8531722.091	10791484.55	9045382.091	12779177.98	6929493.181	8645713.122	5305036.054	7662045.839	7386915.935	6557684.133	9831318.038	9130627.661	7914483.476	7254219.658	3277560.91	5584752.482	9555585.253	12238303.75	12333491.21	9895066.531	11857940.68	8284719.419	10336242.72	8329722.575	10494313.03	7713873.52	7973305.548	8691849.564	9985169.473	13514132.27	10139754.78	10263347.67	8636289.304	10971594.51	8107899.243	9516122.689	8873240.791	8960440.018	10627940.68	8822938.688	10088670.84	9649738.53	6930879.833	6952800.825	9507791.089	8249654.818	8629126.738	11434926.28	10052912.4	10568786.45	7442958.759	10252912.82	6735551.238	7119513.066	7263768.688	11043278.48	8389502.499	10328893.47	5932672.931	8268054.084	12735545.63	8009326.368	8829703.976	7698069.742	9593437.949	7749764.958	10484843.41	11281181.29	8692111.486	8546196.74	7720560.472	8620779.898	8826516.649	10705680.93	9572466.74	9994753.917	10917872.87	9018959.514	8858128.182	7892667.825	7867116.057	8303731.48	24415.32479	10105543.48	9530131.875	11559149.04	20687.17251	7560638.019	9786972.303	9949904.494	15579.93378	11126993.01	9950681.934	10455857.18	17512.65298	7916015.583	8911684.152	10405793.78	24693.48461	10172882.77	10129086.37	12491376.89	29748.54422	8480436.882	8621182.375
PC 35:2_C43 H82 N O8 P_2.13	7049611.187	7228453.924	8204793.701	5243789.078	5183097.239	5209111.046	5518407.429	6292779.646	5512579.041	7025094.315	6260779.048	5497014.169	7277055.645	5780448.721	7286955.433	7037724.658	6747212.494	6915996.638	6179647.879	5527272.92	6980732.556	5911706.059	6767594.245	6121600.59	8948094.541	5340747.928	6454009.739	5291222.721	7732076.833	6856136.506	6532374.636	6744120.592	6244738.055	8411296.146	6181127.131	5485313.138	6355616.541	6082563.243	4768225.644	4916067.444	7311032.166	6910771.057	4946905.754	5657585.965	2904412.825	4934790.681	7135583.829	7492343.751	7981471.204	8655212.356	7834592.377	7017416.518	6823792.457	7414834.14	6820490.495	6725470.185	5426091.494	6106507.68	7077165.831	8344281.804	6112625.742	6934314.175	6495785.807	7773690.175	5134240.729	5835749.091	5463730.948	5608643.871	7502873.574	6779799.476	6406776.825	4937567.278	4867182.528	5864197.764	7710670.056	5925410.776	5389180.3	6500181.54	5864546.106	7720457.877	6747345.765	6784342.992	6131470.51	6222034.029	5034850.666	7192506.129	6374957.062	6327240.248	7198130.332	6408461.126	7020949.437	6980883.564	6797513.298	4871180.224	6025648.037	5840502.756	8985497.828	5630631.467	7341025.549	5043974.835	5515795.404	5228283.693	5931682.497	6804777.084	7283291.733	7036886.012	6866168.421	7327796.56	6586799.512	5721399.909	6239544.372	7684562.702	21296.26732	5995246.458	6536102.697	6220194.37	19614.94578	6467536.535	5693901.509	6171938.356	15532.04446	6520198.296	6801938.133	6655284.608	17659.43981	5455977.717	5628462.104	5125130.883	26151.88439	6795630.942	7391523.145	7530556.708	32251.24625	5590869.765	5343595.262
PC 35:4_C43 H78 N O8 P_2.214	29510034.75	30708671.16	35921575.64	22352294.92	21883917.17	27045315.25	24712950.34	22034264.85	18427784.1	29773538.72	30589108.51	19013295.37	38759558.12	25664986.03	36134991.77	35732849.04	28709143.02	32679614.1	27674335.41	23230687.2	23828382.84	34067471.73	32406227.24	27950663.3	28590537.47	21944890.84	28320645.77	21769656.23	35689715.61	30445511.53	30426864.78	38955415.57	33010668.24	36408758.47	24861408.69	30153193.26	31789046.71	23500832.14	29316641.3	20907415.4	31525125.12	22184072.46	16553069.61	28600524.37	13695914.8	26506619.45	27026202.78	30080241.78	38795963.78	35023452.98	34236451.98	23890373.03	32987596.51	23459313.81	28741033.65	28188986.62	24791521.09	28653237.1	36598333.05	34599435.37	26247964.53	30456825.35	26851630.39	35340811.64	30168420.51	27562068.57	25510799.03	26462553.57	29389334.71	36692258.14	27594032.42	21472929.3	14618359.55	17974628.01	26676671.59	27203149.34	26025843.48	23493780.37	22081739.66	28197250.35	31648284.87	32139476.75	24801331.18	27707686.52	22570836.23	30389712.05	34261776.37	38581111.6	33689482.42	21498956.21	37488112.8	29482159.4	25620208.72	21537845.88	35997789.91	22440644.59	36084311.23	27383629.45	21695393.39	23225042.67	15837757.5	24474948.38	23945443.39	34268030.41	26973398.65	32682750.18	28502406.71	27365150.14	34670422.98	30158568.91	29662074.52	26762228.17	56135.25276	26368052.44	26755750.07	21520941.64	51462.75857	26592489.24	26156207.36	27847616.87	42541.45569	26028251.47	26807926.44	23579070.68	47112.145	22737654.09	24471703.57	26969366.2	57176.97834	28863033.28	25959070.71	30248904.56	72997.78923	22345488.11	23655932.33
PC 35:5_C43 H76 N O8 P_2.221	12340115.38	21863592.79	28808009.39	15332288.01	16013135.64	17534248.91	17907938.93	18349917.95	16811320.5	18990356.1	20188809.37	14929658.76	19339443.5	20485529.8	25662313.83	23441360.34	21829717.8	20073272.31	19756479.12	18480483.54	20555089.19	16044235.76	19077053.86	19831214.24	21495864.09	13757122.32	19728362.34	14957204.92	22314429.41	24344594.91	20457525.76	23435565.23	21255136.92	26248216.2	22121094.16	20394682.33	21603303.06	17938691.68	19543055.35	15537503.3	22032956.09	20348506.45	15425614.93	19310137.28	10511271.41	14704523.83	23815592.36	20761129.94	24465963.03	19620876.24	23754335.73	19826515.49	23105320.24	14438997.96	21735432.45	13725245.99	20990420.23	20237097.87	24023433.34	25752269.88	17863022.69	20964771.54	22682905.78	26266901.16	18300541.95	17075427.02	14745612.63	18299785	17668055.68	18675978.73	19784605.31	13496116.45	12259247.01	15486409.32	19625541.82	20409489.07	14907542.96	16827191.56	18607546.89	20203508.95	21660863.38	22582651.12	20043822.79	20289691.49	18142381.77	23175117.15	22146651.15	25078037.06	22172603.46	14876941.65	19893009.11	19137509.94	22708413.19	16433904.08	23868335.05	16979498.33	23041613.79	18836460.83	16945285.99	15691318.03	15277125.77	17469976.04	16320912.83	21360362.04	17500743.17	16611183.76	19802393.63	18241993.97	19200494.41	16409155.39	17503487.54	14954694.87	38258.31392	19498912.24	18126439.12	19049430.22	33106.73479	19685254.24	18777878.81	17949228.08	26010.10467	21254854.66	19872398.44	18763514.12	30410.69673	18900410.09	17568362.97	17698593.95	39722.76446	20342607.41	19713169.97	22572428.76	48222.52923	16884770.57	18290798.42
PC 36:1_C44 H86 N O8 P_2.113	37929802.61	41927103.16	49358189.02	21557880.66	33108032.68	42264539.7	41708745.04	33135468.87	29075753.22	56408894.96	55647860.92	22133551.04	43571461.08	30883713.89	36470810.06	32202962.1	28778992.75	28138922.28	43759981.37	29324796.46	20544227.13	28554113.73	17812043.62	18440920.78	21265905.72	20378483.16	24722436.59	20717187.93	48440846.16	42088230.88	35409347.59	47211780.63	46425075.9	52069495.9	44124379.68	54419804.29	53227564.51	43598515.23	55556917.01	34818101.88	54810262.17	51427536.5	20882865.16	25863402.34	16842574.77	44849866.34	40794778.47	43767922.85	60555027.23	54897846.06	46033722.59	31188040.44	45795794.11	54867192.56	49223269.94	55630026.51	40624763.47	30412802.39	30601901.38	42103075.52	30994805.55	37938396.4	36371828.27	58849596.23	47550282.65	30693869.33	28543790.38	33028193.46	41831205.49	44352224.45	47113374.91	43554720.52	23571616.93	30415596.78	53037124.79	51783755.3	34882492.54	27377195.45	23790094.1	29310889.83	30294674.58	40618430.4	40906978.57	29629068.18	30608701.97	41254104.39	48429380.33	46903714.3	47098591.39	33372461.58	58894356.87	55429705.23	34040956.26	29423749.18	63315559.98	18272408.51	42879290.2	31586684.35	38329095.68	25747477.8	28743803.73	38786296.14	30107633.1	35326944.38	24885616.29	36665976.56	35174749.17	33598320.74	44931761.11	38100276.63	47620479.26	54520726.66	36352.65173	31381407.73	29272259.82	34547058.81	30672.71639	33996836.44	30641314.66	34187278.4	25336.77191	31774473.86	35000350.94	36760219.1	30131.75221	25135227.17	28686374.17	30277099.02	50499.9147	34114357.4	32980573.94	36455913.73	65639.3139	29136127.2	31807600.66
PC 36:1_C44 H86 N O8 P_2.125	10994120.63	11432375.69	13770735.02	4736687.668	8914479.576	12423168.74	14541288.54	11689594.8	5020727.081	20418583.69	21185184.84	5712977.23	16761942.84	11359081.19	14747958.49	9177652.343	6274893.324	5507112.785	15914101.21	8936245.476	9219828.546	13447245.27	4835466.932	9668066.82	6842369.688	9686913.441	17730714	15211881.49	27886589.59	10874422.33	8881685.945	13134538.94	14723594.74	14799909.16	13694911.76	19644929.68	19585145.72	12121993.67	7213456.514	13542860.37	17776771.51	21705858.06	5791213.99	8744835.962	4899392.377	19809858.28	6590321.681	10793834.79	13486065.19	17336059.48	14011214.52	10041913.87	13622842.52	21113170.4	9503040.136	16205658.88	11125373.77	9923458.131	8434566.757	14336160.57	9124883.275	10008786.5	13463811.35	26100560.38	19795533.1	9059352.469	7277372.321	6803818.536	6521823.769	9326948.774	13651020.9	10804431.88	5920320.2	7852052.662	15355013.87	18701710.83	12103131.12	9077192.696	5720332.925	10078205.22	3632408.401	15916452.61	13789523.55	11670234.99	4636722.834	10660636.41	16015874.28	16434949.74	12050527.71	8910389.797	20659975.92	20546300.29	8128367.086	10955392.02	21281475.72	8305346.015	15778137.92	9979634.259	7871822.014	7623194.329	8762105.887	11325498.25	16256073.6	19743735.34	12576393.55	18796719.59	18450478.02	15978160.91	26403470.63	20899732.52	28889540.8	34597837.21	11562.66369	9726346.527	7881224.446	9654283.541	8788.45163	11534297.32	9729446.899	10199685.97	6889.025301	10166774.29	10182333.72	12867981.38	9356.469588	5804642.041	8859910.716	7290603.402	16594.14189	10448934.52	10088816.31	14460954.86	21758.69302	7706452.21	8512540.179
PC 36:2_C44 H84 N O8 P_2.117	162234426.2	162821327.5	186107267.5	107809937.6	67111942.6	119756043.9	94736403.55	113935128.3	77957554.24	75808746.89	127495043.3	118567118.8	175214527.1	161188894	172122685.5	171627802.1	142399289	134468075	129596842.3	120358239.4	185088110.3	160409646.8	171608287.8	157530433.9	145670203.8	117738713.4	88277508.89	120305107.7	173072719.1	93025430	127509303.7	159295313.4	143925523.6	147880467.5	120650132.6	123046401.7	126978922.7	108023062.7	110965812.4	100256389.6	123693587.4	119276666.6	135987762.4	123455696.1	56972646.6	101054993.4	170555684.6	161175509.6	175403676.6	173618854.7	144196480.7	126814558	123024218.9	146357164.6	144603744.3	139963952	116572316.4	143468619.9	152638998.3	179154770.2	128635154.3	138223143.2	131546371.2	164675006.1	122707004.2	118104869.8	122836928.6	123946346.7	123180702.2	117262797.1	133222389.4	112060853.3	92318091.22	108319693.8	136386575.2	116193294.8	158170142.4	174945619.4	169487575.2	156754865.8	149451848.8	132486903.2	131668456.3	126472207.4	121041580.3	145922418.9	123225712.2	142674969.3	137932593.5	108491321	88955647.74	95649427.52	123620627.4	99832332.17	134987193.3	139233710	163855428.5	117718153.3	168866284.2	121762863.2	120998271.4	115654337.5	119524598	163419221	129417854.8	153982881.9	116826819.5	147118355.5	142791424.8	135622369.6	132357308.2	143911581.1	68929.38196	141820772.1	126572550.3	79331509.36	57904.59133	132092208.2	125184241.5	132014508	42071.73635	156159722.7	136205262.8	127562935.4	44783.56582	115708157.5	94517267.98	125182006.6	66675.44114	134205315.7	140135137.1	152033668.8	81178.16108	112664920	112679327.7
PC 36:3_C44 H82 N O8 P_2.122	51061209.3	54207117.26	57810306.33	43344036.71	36534228.64	44310885.78	38288480.04	43373115.82	45999983.01	42546578.05	44319684.44	33453167.73	50385502.11	41491751.35	44180649.61	42342297.65	39746453.8	34691564.05	38796078.04	40901863.06	38783077.94	29885170.61	29846517.24	31198168.31	34117003.34	29302997.56	32539431.05	30019073.27	46328155.76	35880765.4	43340020.49	36752230.29	48425275.32	58313257.95	43884799.26	43143588.5	44601156.28	36754428.57	39101072.43	36430703.17	46629230.4	49652202.74	38251455.56	34970882.36	20459789.08	39386424.33	57884459.48	52779114.65	51526148.89	51855114.65	55667198.61	35964080.08	49617648.02	43895231.78	48838193.81	48818100.84	41158251.45	39906218.64	43164631.78	51913762.68	39812792.82	42533480.63	35050731.53	39667680.42	38214652.59	36444422.67	41900854	40423660.15	47578939.61	42445092.45	42579521.99	38687164.97	31881913.83	40365230.73	52196545.38	43597840.25	40831252.07	44142582.39	38964677.12	40250280.94	42385237.35	44398064.05	37981236	39093973.6	35914277.93	48143167.52	41033853.09	49352065.04	45661398.55	36458217.86	52184516.18	43356084.23	44570882.26	37080645	45607170.7	34632312.4	46012501.77	39534206.95	49491434.29	34275260.46	37040291.11	38582663.08	38111911.26	36559354.57	34210441.04	41646678.68	29569497.1	43655924.35	39198814.51	29550183.08	33209727.54	38955149.54	62331.75908	41308653.84	40771371.76	42756159.11	54587.54048	39910191.04	39901382.64	42907784.08	42565.88636	44865997.31	41363078.96	43641865.18	46591.45787	33952089.29	45705880.6	40079122.15	71089.04883	39475027.53	42482364.19	48103926.65	89502.12319	37572673.77	39352081.62
PC 36:4_C44 H80 N O8 P_2.118	57562956.73	61236867.01	64860170.89	43591667.01	46703412.37	55146399.47	41138334.65	65256977.52	52469744.2	31408625.11	69588323.18	38325632.1	53540692.28	42282759.61	44561350.81	47089998.35	42472993.38	42279108.7	48688792.94	46382900.9	27882698.37	23087684.79	14983793.14	25401885.78	31385965.31	24406826.15	26640853.96	25740856.95	33489795.66	31966747.46	52400200.07	61547786.25	55898257.88	66290657.67	46063785.85	54403957.86	57274565.82	59268283.7	62660585.77	52612638.55	27561955.19	28527188.49	41326537.37	37165000.77	23357675.97	47942094.43	66436482.7	58545473.24	62080650.39	64383932.73	63393183.02	55041590.48	24937441.51	58184988.19	63101244.89	57351383.39	55147681.21	41179073.92	48013514.6	53694065.58	46280058.46	21689235.22	44282723.6	66491292.09	56714200.79	38666817.39	52234338.98	47142642.6	54623692.4	50741814.69	56998090.15	54990809.23	44959324.28	47709457.5	71367228.5	64208437.11	48689790.79	57797626.31	49813171.19	42263737.93	15881562.42	45765374.14	50636569.8	47132665.55	49106060.58	59596401.06	42322003.57	55441748.83	57065037.3	49942391.17	29277491.92	53078938.12	57418976.95	53909430.41	74039928.55	40007243.95	21350713.9	40359749.62	61863841.63	40617051.8	51647211.39	47652379.07	28504600.47	27496001.12	25500319.83	29314757.78	24134246.96	28910263.87	30863193.09	28529637.53	33938396.24	37426188.31	22069.33292	46179004.43	41645944.42	47305257.6	18216.1008	45004982.28	44027967.89	46986595.71	14293.21762	51527800.04	48543116.65	48511705.36	16473.22897	38031881.74	32737519.39	49490262.33	26540.84327	51822226.31	59190964.13	25600615.76	35875.11148	45276794.66	52074459.8
PC 36:5_C44 H78 N O8 P_2.125	8824221.341	10493929.33	9015058.984	10286097	6834899.366	8238617.412	7116352.185	9646188.904	9961831.493	8864977.833	8468965.486	8841893.973	8451916.08	7541633.215	7125136.941	7949746.63	7217732.487	6853121.196	7097659.433	9796468.259	5631830.707	5214518.798	5170256.193	4524693.555	7801077.515	6057776.43	6270731.042	5894548.091	6417305.762	6626756.871	7394035.175	10329075.98	9705909.502	9653063.446	4633937.861	7994194.872	8481154.105	8687818.307	8038774.107	7470762.7	9062999.203	7839099.7	6936508.331	6140025.629	3209080.323	6292832.708	11700706.14	8668803.776	8686729.968	11237651.98	10681111.44	9504789.439	8471558.429	9069947.526	10765910.84	10417214.96	8008322.982	6951922.427	7175893.61	9433481.992	8145314.953	8078391.904	4353279.754	8797227.217	6154404.558	7837565.435	10459158.89	8140461.762	10434455.07	9101825.065	8685400.748	8598719.064	6921123.057	6669833.48	8354902.41	8389186.892	7618803.841	8798342.849	8204655.768	8654146.821	8158181.735	7452480.66	6281524.452	6780004.428	8112024.756	9943829.294	7775745.021	10079051.37	7250842.76	6952640.851	9900294.668	7796343.887	7568345.133	8344794.96	10264198.02	5686181.085	9057560.41	8096626.864	9788895.993	6268308.466	7878856.488	6832843.541	5131505.399	4963071.769	4940337.256	5219393.768	3999571.091	4613138.163	5126644.567	3794872.688	4986419.639	4429618.322	21948.10777	8098832.799	8223586.874	7575521.579	20350.6019	7958238.321	7997062.56	7191524.366	16108.95891	8475512.035	8705871.128	8696413.105	16532.86568	7265454.621	7808952.531	8194869.219	24484.74065	7096741.383	8573115.406	9340419.063	30008.65089	7425991.091	7329722.395
PC 37:10_C45 H70 N O8 P_2.187	181293223.6	158732428	110996033.5	70571065.96	81490434.01	111935960.5	59558637.67	137952311.8	165876145.1	91392748.14	86567642.71	206037977.7	129258646.4	92369525.78	183600439.9	114152201.3	174785573.5	131973976.5	124308638.1	171803715.4	63122596.48	31744045.12	34935837.62	33861731.09	30364903.27	50834197.32	37867318.9	56897785.3	37566353.49	41359683.4	80756623.8	137357767.7	91728632.39	155992491.3	161417212.6	114939648.5	81577432.24	98510050.02	131472754.7	83689851.22	91455919.23	112565757	177836288.8	134062898.5	118330818.3	99658700.54	153268006	124758184.7	96185198.08	103260704.7	166812703.7	113048248.7	184734820.1	114301733.2	113338539.9	161235671.7	73770160.2	118662394.8	117676309.9	116362882.2	166764045.1	164375419.6	218078060.2	124348182.7	151398190.8	69024013.86	152891661.2	86906309.86	129239471.6	110890398.4	136292411.1	99538004.42	84017342.27	176711246	106080303.6	91474535.84	100532667.5	162063130.8	217103428.5	91305972.87	118881230.5	127133874.3	161478795.2	116302015.3	86686014.9	133706142.5	100814461.1	98605814	109499761.1	90249889.72	108589730.3	96912641.54	154668275.7	116960370.2	159745423	110698942.8	154190440.7	161104332	137530515	121173869.6	175824604.9	95126469.37	36564910.35	36245639.83	31667414.17	56716560.22	35605467.59	88409400.61	68626264.58	58977475.23	32124930.91	36519882.9	65698.66895	116209578.6	107271325.5	111767396	76547.52294	104896414.6	109461520.6	125602012.5	82365.55355	122239416.5	116368382.8	127112459.6	90892.87193	68382496.11	120686108.2	123532657	80623.42338	78731095.61	131748962.2	132466571.4	77196.75402	104747711.6	102282116.4
PC 37:6_C38 H80 N7 O4 P3_2.212	3148310.86	3060014.274	4108954.26	2680244.935	2473863.437	3098411.077	3092594.031	2931813.29	2753841.985	3891680.23	3737923.712	2084541.266	3941030.73	2785098.961	3254822.906	3908490.729	2974745.313	3387097.504	3709541.546	2840794.14	2093896.035	2835267.658	3308418.469	2476455.709	2896037.063	1872792.582	3226647.429	2227566.62	3757268.719	3015679.026	2786729.674	4607674.201	3860539.293	4341323.638	3018360.581	4186820.785	4094382.219	3280324.161	3607218.851	3023539.791	4570250.747	4364025.009	2249024.861	3340818.51	1708824.469	4337951.466	3439993.929	4047135.53	4262070.979	4567613.205	4280912.962	2906566.928	3819604.666	4275499.527	3570028.336	3952556.283	3226118.845	3160492.492	3777077.145	4001746.938	3067498.411	3367962.519	3145480.866	5083853.284	3971922.387	2795792.624	2667872.973	3023031.03	3156088.214	3959374.66	3617664.785	3331624.748	1669895.769	2247573.2	3673598.776	3699257.002	2890879.249	2989924.844	2742021.619	2914324.215	3003033.619	3713095.703	3266701.221	3234288.046	2670920.032	2947185.463	3919803.994	3932228.728	4269590.743	2968292.088	4774214.005	3820168.928	3170305.645	2592714.966	4206361.714	2393514.366	3493138.563	3060502.278	4646158.848	2507456.779	2654647.558	3106994.399	2743617.341	3066858.068	2392197.144	3488036.361	3037257.69	2608590.082	3890191.546	3512372.43	3278330.279	3817777.671	25587.98901	3025187.092	2851210.085	3037254.868	22181.82838	3023814.176	2776037.2	3303192.463	17906.10746	3067064.26	3129207.049	3057592.328	21286.90133	2808141.423	2623597.191	2543096.332	28332.81153	3184961.533	2976956.216	4264257.792	35174.97325	2522210.746	2570989.403
PC 38:3_C46 H86 N O8 P_2.1	24487375.95	23260547.69	25307827.19	16572727.33	16607235.93	17888739.14	18695370.09	18044174.2	19575420.13	22375816.81	23609724.09	13995454.51	24142289.8	18718378.19	24493899.96	18436055.24	19077634.66	20061872.65	17542582.32	20355706.43	22509400.83	18237632.98	16853765.8	19269849.23	20300453.8	13438551.51	20259582.52	16808420.12	22921303.59	27186135.24	18440115.63	25781387.41	22424450.49	27954107.53	22062456.67	20603720.75	23863297.71	20297561.85	22983308.32	16349331.65	23063709	27901990.84	17753493.56	19199084.13	11149700.63	22306142.61	24127192.24	24772413.73	25898455.08	24974262.39	22880917.46	18811740.84	24340280.41	22337702.54	25802590.11	24192075.57	19732285.93	20436733.09	20579539.21	25426185.52	17627448.6	22679305.5	20255416.65	24282843.32	20487186.91	19186117.79	17113959.8	18990079.28	20784195.47	18132840.63	22686519.14	19722167.92	13339706.18	20472562.77	25910348.12	22259429.9	18806800.99	16554399.2	18040569.62	18606530.32	20459386.67	21383305.38	18305417.51	21290957.62	16785884.05	22760996.96	21311477.16	25163974.22	22943917.37	17732923.11	25468632.95	20387588.54	19358285.82	13622517.7	26450835.53	15414838.78	22281011.2	18921876.29	22176199.81	16930644.01	15265594.96	18616757.14	18345143.86	20097333.19	18659973.98	23366597.98	19174312.23	24649508.83	21893680.45	18626698.72	19332304.95	22432890.92	54359.34773	19160583.59	18606413.92	20612599.76	46906.78192	19373027.91	18445284.12	19922086.55	39029.8167	21595965.15	18509727.51	18265726.12	41539.05846	19714430.93	18657244.72	17954728.81	63721.83819	19417656.49	21960602.72	23619197.82	82244.14606	16841959.9	17265159.11
PC 38:4_C46 H84 N O8 P_2.099	46663140.12	47614475.34	55488730.84	30521962.62	35864298.67	40770513.49	36227175.86	34986187.78	36112851.55	47771371.05	47975748.64	30119034.67	43427191.03	32361061.3	38049490.84	35299615.84	39540644.84	33784595.41	36777863.01	33232963.3	28390257.09	24739843.07	23171262.93	22505453.71	25641428.28	23127130.03	26531098.27	22301459.46	30135573.71	33546801.03	37599414	47922196.37	46000608.05	58777218.96	45328908.11	45394093.64	45706436.41	43898676.53	48954800.81	32253189.82	50515155.09	47786906.66	31926585.92	31860365.65	18437914.26	37731766.32	51180828.56	50755399.85	55033873.51	55544446.46	46705359.55	36353848.77	45862403.33	46703090.42	54574923.86	52947897.69	39696264.27	33001628.86	33160808.38	47261990.81	34463876.91	42196182.86	35259831.44	44755956.19	36497432.34	34952565.35	34672443.74	37897097.95	52775302.35	39342453.58	42662328.41	40952707.72	30128448.68	37719752.42	49003148.29	42572984.33	39593892.37	32443864.79	35258829.67	32337388.85	36264066.17	42844052.37	35759366.32	31571569.94	38984699.38	46909243.23	48104725.29	47417994.08	51153551.95	33896702.81	51151705.14	45352074.8	36607263.53	27701319.32	54916839.61	25030954.57	41504208.64	32976034.86	43951165.2	31747354.4	30495128.25	36814218.56	26910692.51	26414237.13	22480504.5	30118999.18	27045162.8	31143799.48	29720261.75	27089760.43	28953118.56	32478654.05	61432.39075	35237122.77	34315115.25	38781359.94	51941.44237	35031295.41	32724168.83	38488726.12	41363.00958	37922744.08	37939602.19	35564510.24	46089.25403	31588347.83	31510364.03	36118863	70449.05372	37864284.55	38062657.54	42199395.56	89288.76213	31229930.95	33185667.23
PC 38:5_C46 H82 N O8 P_2.105	45514185.28	51511853.05	51983056.47	43071666.61	31846737.9	38445292.84	34558118.97	35795778.64	43564326.2	41461670.08	40204705.39	40435027.9	47661318.03	37421568.93	36131441.97	38052391.63	33803242.63	33654761.59	34824331.45	44816396.65	31598376.68	29360511.7	32855667.57	27425911.59	26004795.18	25262115.09	27960456.75	28639772.05	29713281.86	32464752.03	34134706.54	46473522.99	38161370.98	43917044.81	29600434.9	37182677.03	37359182	36783331.36	43486093.97	33606296.27	44493892.17	42359661.66	31485156.51	25784651.38	13402983.98	29408707.99	58414142.39	51350156.92	52025286.91	46726637.52	40734589.47	36877697.65	41367074.26	43680439.88	46259634.61	43747834.21	32028908.73	33053014.39	36235081.54	37791290.73	32261447.1	37833939.71	28581876.72	38939204.83	33995010.23	36241635.8	42064955.56	33611961.79	41465041.17	38644925.94	41344975.47	35646335.26	26498019.98	31394814.63	42869871.04	36359693.3	39276140.03	41604551.67	44863346.81	33590006.04	34783998.78	14002560.45	24790249.93	30854593.72	36621646.08	42447756.28	38672189.6	40978385.39	37558184.65	30316322.02	46034757.19	14892199.53	35491138.7	32822027.7	50472845.94	31144993.69	48794198.16	35308934.44	42574390.84	27499744.4	31283367.9	32315516.44	26503650.18	25777747.99	21681403.44	24462417.79	23353971.47	23018232.16	26292210.72	24369242.37	25133684.15	25034354.03	25195.04266	41696487.27	16259118.09	37487351.55	19856.91597	37560265.53	33056459.95	35869861.64	14439.75176	37650507.04	32507890.4	33967760.6	15451.0639	30757504.43	31236232.01	34332429.14	23185.38057	31694237.1	38138919.99	40497241.72	29420.38748	30105935.8	29599680.64
PC 38:6_C46 H80 N O8 P_2.108	12315887.54	14678563.83	15675083.76	12140884.06	10724187.98	12683209.03	12087225.3	13218590.44	15226572.88	12181639.84	12564363.81	8474453.6	10636936.1	9247815.203	10069938.31	9672624.83	10079419.86	10211415.85	10221405.88	10601802.31	8736348.837	6526758.82	6910836.36	5648094.511	7966036.492	7275219.517	5987166.916	8173832.2	5526388.724	7729860.639	12229405.93	14601237.96	11651527.73	17602187.19	12840668.24	12759780.21	13683771.41	12015104.27	11307757.34	11897814.66	12899037.4	12441491.31	10663948.94	8582509.866	4911516.41	10861748.52	15775931.7	12737081.43	12029743.52	13826840.91	16555693.07	11449594.9	15988067.99	14171380.46	14997854.63	13813424.48	12429562.34	9431455.897	10666916.23	12417510.23	11069806.52	12054840.77	9711163.227	13391125.08	11208225.35	11028150.11	12819631.79	10110455.68	13917713.13	12096924.48	13907950.18	12381987.94	10560659.45	11976023.55	15352078.86	11613993.1	9410119.778	10326673.53	10891053.47	10278932.66	9452775.018	10993623.02	10857756.71	9816812.869	9825382.643	12158602.87	12420508.75	13747678.31	14024325.75	10863225.64	13978322.38	12494394.45	14049022.5	11587367.8	14225316.34	8083472.141	11316357.59	9123054.524	13095360.58	9566490.871	10390610.24	10270801.47	7325668.574	8409359.456	7093550.449	9049729.435	8032231.202	8818843.343	9269446.486	7818955.271	8614532.815	8338175.849	19380.00878	11020096.13	10309595.95	10860672.52	17355.70878	11274135.78	10403230.97	11943956.97	14298.85947	12093705.54	9972412.409	11754894.25	16287.7616	8901542.523	10917423.19	11612196.28	25254.96166	12100029.36	8278525.599	13104353.26	31139.44207	10404890	10652421.81
PC 40:5_C48 H86 N O8 P_2.091	8442326.778	8218699.764	9694171.823	7197677.295	5646983.81	6074233.018	5523534.805	5379822.099	6233739.889	7084699.427	7664906.67	5825330.886	7755117.998	6594942.237	8124960.048	6803988.915	8177012.499	6391576.716	5859048.075	6713818.575	7558903.596	5960306.525	5991926.68	5911958.347	6010586.935	4486626.336	5822321.963	5351276.572	7265941.657	8253655.593	6384457.672	8366750.734	7499931.256	9737122.774	7625194.206	6765426.977	8040162.227	6556409.56	7032123.432	6291736.596	8407514.79	8726905.662	6748914.813	6844120.777	4085286.693	7004741.385	8455748.797	9492252.931	8544637.825	9206486.255	8127483.004	6346866.432	8318873.208	7611234.473	7610587.501	7677417.377	6582857.377	6144653.297	6868713.346	8396537.42	5483440.182	8126418.961	7024099.06	7596753.654	6685474.288	6442802.337	6732389.877	5544117.295	6949576.777	6688245.605	7493258.331	6521300.942	4282069.751	5704599.311	7649146.995	7442087.835	6485388.597	5917047.017	6970897.903	7041133.293	6981856.714	6468143.356	6704607.577	8338556.777	5801446.852	7700910.799	7379209.603	7217582.929	7438688.504	6026034.934	9734966.806	7030113.362	6454656.496	5592309.074	7714373.252	5716900.243	8926646.233	5955367.938	7792766.969	5680426.567	4978599.732	6092254.296	6024797.602	6382331.65	5950755.089	8492389.703	6192560.454	7751203.589	6532622.354	5954185.126	5980208.459	7123787.534	37250.02351	6596320.152	6102152.088	6487398.617	32593.46657	6608731.584	6499827.521	6377181.871	25877.95145	6673160.583	6316029.479	6175047.266	27680.15403	6978009.524	6401155.302	6197163.768	41134.51268	6262315.019	6732356.204	7631369.179	45120.68977	5827483.832	6022129.504
PC 40:6_C48 H84 N O8 P_2.092	8203581.523	8269179.097	10006130.55	6760468.782	5709553.463	6406487.686	5786125.591	6265978.165	8169342.96	8730741.204	8820939.146	4569468.425	7125219.552	5460520.079	6163045.353	6281071.909	4449852.957	5514089.242	5223981.739	5954551.811	4877880.825	3931439.143	3674927.572	4060936.177	4038222.824	3106569.356	4038723.769	3709768.361	5116272.007	6287202.813	6568934.979	9143549.492	7933836.019	9906735.426	7469435.889	7882820.586	8325129.764	7556075.899	8111150.251	6791663.494	8099936.711	7453578.996	5977829.733	5986317.031	2948394.415	7628327.019	9020259.578	10215205.76	9813158.278	8362530.239	7611821.945	6277832.193	7437693.615	7746764.706	9140326.199	8560189.694	7494843.171	5493293.513	5888383.151	7594263.589	5889845.456	7003280.183	5068013.051	7783972.008	6443283.731	6655700.021	6364989.934	6880533.86	7204521.432	6639018.324	8408012.434	7175592.047	4742287.44	6341263.554	10059182.6	7643107.1	6402578.166	5787495.167	6540697.611	5961538.229	6122779.258	6737317.754	6372440.797	6194131.257	5554787.865	7973438.618	7520926.096	8532947.013	8454939.446	5703548.663	9566416.498	7133894.703	4935963.236	4264985.805	10075595.71	4652312.272	7770103.148	5517682.366	7410902.86	5220834.015	5197377.262	6235367.747	4449189.238	5001617.399	4507119.221	5520157.982	4585205.852	5347946.547	5063768.653	4408437.28	5200986.561	5626409.382	21052.76959	6401449.546	5385628.309	6764789.334	17959.67857	5926042.086	6069916.093	6354278.635	14111.36789	6467250.616	5949569.144	5749863.168	15593.10337	6347917.371	5911057.65	5830601.306	23385.57931	6592499.267	6993670.137	6286407.591	32035.26125	5571222.349	5867044.888
PC 40:7_C48 H82 N O8 P_2.091	8617051.973	8693004.29	8822060.613	7420248.549	5381348.845	6257645.868	5217301.67	6018196.406	7271330.352	7050886.86	7274215.019	5803808.725	5837249.36	5479392.325	6876484.399	5667996.872	5866343.146	5291060.993	4990589.248	7236321.853	5761277.39	4565813.077	5364548.008	3983981.503	4196821.463	4461896.05	4897289.748	4129855.893	4491302.082	6191489.307	6624570.756	7828777.878	6861677.642	9380355.857	7060989.105	6822422.317	7192167.913	6798835.655	6193915.781	4067908.579	8066018.478	7952899.279	5660500.65	5192938.217	2996084.221	5831032.264	8231380.928	9288355.516	5456432.671	7214599.106	8037682.488	6679793.972	6967757.439	6682777.28	8371284.877	7751974.037	6854036.054	5553464.324	5317633.227	7488022.346	6142184.328	6641244.13	5399261.209	6793770.712	5441426.419	6825992.186	6994093.405	5134700.897	7757800.554	6407605.221	7533696.778	6681253.019	4798257.193	6318968.123	7829123.163	4365285.046	6067284.266	6571511.972	6283624.171	6050109.473	5465084.325	6342166.078	5448567.801	4550724.49	5091761.412	7463721.414	6267154.339	7948428.02	7376513.798	5636953.353	9578163.015	6577646.609	5260967.516	5561104.009	8350626.017	4078562.711	6693982.541	6949168.992	6966264.613	4465819.942	4961723.041	5333448.702	5732097.685	5671716.931	4843563.882	6127415.749	5787548.199	6067868.418	5677340.081	4970054.853	5795433.13	5706102.638	23348.69694	6667004.487	5070591.68	6970698.874	18503.9989	5948250.874	6052048.167	6492705.758	14419.72215	6774241.536	6099865.03	6523524.701	15990.22222	5413800.721	5790917.57	6013963.22	23014.22843	6280289.944	6588378.594	8716054.554	28749.9248	4736952.391	5326873.932
PC O-32:1_C40 H80 N O7 P_2.15	4306337.527	4287286.577	6015976.192	1813516.561	4009630.554	3815897.293	4319353.027	4748131.902	3655665.286	3892248.036	4266165.111	2432017.228	3989909.331	3628073.031	3646597.67	4384396.947	3780306.217	4096223.908	4130324.461	2604872.727	4131337.362	3449344.181	2956184.158	3930245.959	4076159.259	3016121.274	4535959.525	3209482.691	4609898.198	4431242.997	3953384.892	5539182.473	4470532.722	4134472.33	4827308.485	3537437.777	4151435.78	4781618.149	4223148.941	4166582.432	3087704.227	4445773.359	3510042.811	4239404.93	2290672.403	3926283.699	3633213.337	2484614.264	4585282.678	5575582.337	3836330.724	4634940.711	5233412.704	4356714.58	4008064.624	3735363.79	4877882.564	4284048.973	3960558.787	5384703.397	3813383.381	3683797.184	4648888.369	5129962.506	4044132.201	3313736.496	3387152.259	4261564.958	4949811.989	3495329.723	4073376.275	3369899.476	3452322.208	3484594.037	3676453.132	3896309.782	3047967.021	3279502.135	3506087.443	4338241.255	3812417.962	3781013.834	3973664.191	4252131.718	3958063.185	4134558.168	4138525.266	5996065.272	4230273.332	4063323.523	3357994.448	3345039.724	4832014.757	3973146.59	6062623.914	3359694.107	4201809.365	3967650.481	3917578.347	3744739.463	3126410.718	3457191.5	3297881.855	3596331.083	4497340.767	5489069.307	5059067.303	4956014.89	4827069.219	4031343.344	5664175.253	5976406.89	18236.30735	4032037.048	3504533.212	3969675.209	16694.90436	3751251.677	3696335.879	4191921.223	13826.66253	3826701.859	3860466.648	3830420.793	16696.50272	3964806.103	3422818.466	3782280.257	26272.90004	3717431.529	4086222.521	4639417.522	32629.16314	3248883.557	3697474.262
PC O-34:1_C42 H84 N O7 P_2.13	38654642.12	30292299.61	40816205.85	14198211.18	21931348.51	20727866.8	25052420.92	18408692.24	16781129.03	22722819.45	25409434.94	21571056.37	28637286.37	28576443.76	38214628.81	32419267.09	24297548.09	25913968.69	24183551.13	14618307.49	27364020.92	21717222.3	18436862.68	21777254.38	30361650.54	12230094.3	23846668.24	15968146.55	32360677.83	28932295.88	24134028.6	25539680.63	22128580.4	26704568.46	30449803.44	20839043.43	28221277.61	26304963.58	22918877.53	19586119.35	24362160.49	46275816.38	21623740.78	20157402.08	13609702.99	26426330.92	27977417.64	24066922.47	28725373.46	40776721.8	23412968.22	26520256.27	31147769.51	30711376.47	28081930.87	26066912.97	26296344.28	27578856.24	30241174.79	34870870.59	21510140.41	27461333.47	33242067.04	32124529.46	24496051.77	22308275.07	19471510.01	26937197.47	18030130.69	22915240.12	27476638.3	18735346.95	18731084.57	22057079.51	24669233.65	25280135.73	25003022.39	24668572.48	24741759.82	34690760.74	30217337.58	27760324.92	30616099.6	25370283.33	24968527.98	21606635.99	28385350.78	34502957.67	25163894.84	24455118.34	22269492.26	20461658.4	29064485.21	17976130.79	26910402.69	26898475.31	28883830.7	19427210.03	28934018.07	22323527.07	21314098.73	19721299.42	26270873.04	27203183.83	19880517.02	30536813.14	26708166.21	34865239.37	24867686.41	27029723.72	18551171.47	25554799.16	42294.25981	25012880.04	21009572.95	21529125.99	35789.90351	28725026.81	21883621.99	21727599.56	26139.85742	28456488.55	26591457.18	24666761.04	30543.92796	21180029.99	22822312.3	25598602.5	48022.44362	18782164.44	27610769.45	27352427.24	58119.91128	20409929.09	23910288.34
PC O-34:2_C42 H82 N O7 P_2.126	12757822.34	11986780.68	13989011.05	7382472.35	9746090.084	11212023.81	11168254.73	9716355.665	9705440.422	11342504.28	12022185.97	7155785.681	11100152.58	10152773.18	11286196.96	10471512.73	10543024.98	9931841.9	11561006.54	9181399.931	9448006.378	9160095.777	9404711.029	8899546.666	11688888.96	7634573.227	11387334.39	9668628.998	14164214.5	10434474.11	9935395.013	12403674.93	10215285.68	14086000.8	10927140.26	10809600.28	11505123.62	10388644.14	10626679.27	9385274.926	12304804.37	14287678.3	9874603.469	12509969.5	5555712.817	12055490.85	12263274.69	9207219.705	12306325.51	12669476.34	14329548.46	11451473.97	10501184.39	11589689.44	10898809.2	13349396.53	11720486.11	9060848.484	10531556.59	11651251.29	9333101.263	11148994.33	9751056.694	13640895.16	9725229.928	7172323.512	8329206.346	9984310.146	10869662.33	11299714.36	9934467.384	8586420.258	7614447.923	9411157.522	11680379.65	11049325.43	9299334.395	9407847.868	7887584.477	11382044.02	8583250.317	11300587.1	9014303.188	10842623.61	8709350.411	9867607.85	8822233.014	10675258.4	8902884.671	8852753.508	12372980.76	10975932.23	10962687.91	8158429.504	11264288.45	7920457.697	11164310.4	9304810.89	10688756.54	9023281.74	9866999.891	9752382.105	11152437.75	9854421.661	8514644.033	9990728.974	10431323.24	12576046.52	11023412.75	8749864.86	9016900.665	11636595.72	41226.4377	9867647.772	8962002.252	10904272.93	35793.46338	10651425.08	9368442.374	10564377.02	29746.27404	10357601.89	9482064.08	11165143.36	33690.51782	8679087.573	9226805.759	9812696.711	52356.69109	10002758.96	11191743.08	11072129	65966.58919	8694152.623	9758241.26
PC O-35:7_C43 H74 N O7 P_2.206	3834478.387	11841778.92	16422923.33	6176307.118	9845473.621	9913506.42	11541549.03	10686211.47	8661666.305	9848189.413	10943863.8	6960285.287	5489486.892	12059359.55	15006842.11	13102705.33	11908678.79	11292662.09	11250434.77	7883495.081	11114818.34	7858368.893	10180772.48	10839683.4	12445038.46	6994523.376	10684575.84	7471322.474	12103306.65	14718607.75	11750494.22	11885205.13	10888622.62	15018669.09	13414236.49	11556113.38	11879434.36	10263349.03	10236448.72	8207809.465	10714557.82	13022232.36	8936331.992	10132920.03	5945013.027	7006770.557	12855884.28	10226743.59	13057539.77	15051811.76	11941950.23	10459818.25	13360846.2	9963748.04	12133390.2	9218904.986	12316075.1	11330728.67	12733791.31	14192783.13	8913511.671	11018995.83	13018672.96	15395661.87	10164779.78	9587823.662	9049689.846	11162480.71	8479402.028	10784055.9	11913423.3	6846393.104	6762112.586	10635152.72	11224685.74	12107870.15	8822061.823	9588574.113	10553232.27	11126048.28	10943334.63	12347822.6	12155449.34	11486157.17	11329469.15	12660261.23	12165408.6	14750641.69	12797262.47	7994815.535	11014568.17	10246693.66	13499266.46	8911104.892	13410442.74	9658595.858	12660445.11	9724670.417	7915896.484	9494568.537	8017701.916	9609698.812	8894898.662	12367559.03	9722923.067	8690648.164	10882973.36	9328583.825	9418001.129	9968368.721	8323338.677	8369045.313	21103.23024	10623315.7	9517228.645	10268973.61	17819.39535	10884823.16	10301507.92	9858551.061	14066.39495	11622479.91	10002007.58	10682530.29	16273.02555	10696611.29	9598339.273	8644418.907	22020.04438	11178832.2	10281637.45	12531944.95	27908.38205	9512337.017	9835326.186
PC O-36:4_C44 H82 N O7 P_2.109	21310924	17119132.24	20678210.02	9597124.303	11328259.64	10143438.53	13882175.97	10933087.56	8210897.435	12382270.31	13137939.07	14481067.89	16999557.03	15624840.9	21073144.27	15990287.42	12675067.21	14086863.88	11488157.89	8656892.709	14140031.55	12006756.34	8911063.262	9023986.751	16247728.53	5373057.943	10265408.21	7019121.822	13765832.4	12858888.55	12056910.54	14541251.62	12594858.64	11188209.75	16827218.79	9066698.13	13754142.84	17217280.07	12556660.46	10202625.29	13019982.21	27116331.43	12772825.01	9882515.517	5810777.925	13904767.98	17457029.06	15258855.37	14235610.64	24857151.46	9626184.308	16015520.55	19612622.48	16449019.75	15068726.88	15717197.26	13599500.83	15670510.75	14480705.28	20377049	11619692.06	14372824.4	16569686.88	14636288.6	11353689.14	10643010.46	11528672.24	14191951.51	8925099.027	11173604.33	14065954.05	9705964.58	11816131.57	12288686.18	13433926.25	12597057.23	14577025	17179875.55	17130360.22	20175500.65	17502633.31	13545087.91	17546553.18	12575957.64	13778276.33	12078882.5	16095051.3	18918802.12	11063202.1	14241014.79	11178453.1	8204689.619	13994527.37	10417181.97	13984415.12	15602840.26	16504216.5	10634539.54	14331607.41	14389709.78	13287128.56	10548186.46	12099794.35	10770564	7808752.905	14225109.17	12796734.38	18311347.32	12308682.59	14567169.55	6022860.422	7761434.861	23977.35509	12875478.87	15322689.76	10565443.37	19935.64838	16649128.09	11253559.77	11775014.6	14862.17163	17016287.44	15915819.2	12083064.06	15711.07081	13620854.5	13672877.18	15144070.34	24382.31316	9416557.581	17204216.38	14596811	30230.59243	11133043.25	14015414.82
PC O-36:5_C44 H80 N O7 P_2.106	8439565.566	7752327.49	8500975.874	4918476.194	6033391.783	7030121.9	6380263.354	5554653.836	6177147.427	6812483.552	6746263.25	4402302.203	6945894.759	6326951.909	6973089.609	6738844.248	7160574.047	5883051.331	6789900.052	5378141.559	6497213.635	4680952.668	5482115.668	4833979.181	6318782.764	5226959.927	6136755.367	6422388.791	6250118.397	4933447.25	5863043.105	7565381.042	5543793.198	9722816.051	6595057.288	6541392.91	6711470.385	6114586.616	6229142.508	7359417.723	7715120.707	9874397.783	6713941.196	7777213.899	4445113.408	7522477.527	7534500.347	5202661.015	6846650.864	7184000.893	7992964.342	6584419.053	6799911.705	6207336.977	6797058.312	8624322.147	6952104.559	5364023.695	7102933.463	8371707.311	5128111.57	6953421.814	4808265.707	7800429.283	5331640.67	3426561.948	4847855.578	6417741.17	6726187.694	6093244.432	5470394.968	5037196.994	5116854.769	5718866.577	6921076.763	6641556.966	5367062.292	5496118.395	4774231.621	6962664.036	5707652.485	6392098.59	4767157.188	6176291.662	4856441.447	5929767.913	5647752.626	6409430.203	5355265.625	5083617.162	8109242.252	6032679.548	6167063.312	4910670.033	6081358.284	5041228.304	7411798.546	5503023.984	6440739.329	5735142.063	6367233.313	6190632.904	7067721.039	4996750.815	4829071.082	6512523.509	5866634.048	7297673.458	5774337.866	3872762.31	6327705.67	6264698.101	20145.43027	6019985.648	5435501.524	6685891.062	17233.78901	6499023.431	6024723.707	5936803.21	14181.98328	6417589.495	5931832.342	6659788.249	15827.71196	5494731.529	5657714.628	5629655.183	24161.01581	6140673.372	7327700.212	6877487.213	30131.87778	4994331.79	5933712.285
PC O-38:4_C46 H86 N O7 P_2.094	4208242.001	4023367.573	6241813.217	1929682.397	3267065.269	3323568.521	3642948.848	2929653.387	2925299.293	3956356.43	4354759.193	2209033.994	4088071.785	3642126.73	5248490.027	3130800.766	3575157.154	3973136.632	3669672.381	2521377.809	3669073.674	2960467.433	2553323.91	3139006.843	3463904.832	1929060.133	3341754.003	2464571.965	4213943.837	4189499.782	3625545.047	3903030.695	3929510.774	5139085.258	5761854.154	3967562.086	4800860.789	3543547.266	3481976.66	3425944.639	3728990.45	5768255.04	3038751.494	3724357.347	2209914.085	3878583.269	4984043.319	3538112.265	5276971.133	5277016.293	4694161.557	3847912.073	4740231.491	4528362.606	4326755.117	3906294.22	4442913.967	3159408.365	3592757.008	5135971.828	3653625.847	4054476.796	4705029.607	3516727.665	3791635.882	3158884.631	2696388.969	3614600.126	3804465.109	3617935.603	4108694.839	3309625.576	2429922.298	3965631.494	4281236.231	4203165.055	3668926.302	2877685.27	3000582.373	3920137.764	3664387.503	3964014.604	4034268.676	3909825.163	3279446.84	3400273.693	3955047.737	5223274.556	4819817.634	3333460.421	4312233.408	3680308.621	4979783.109	2902253.459	4308798.714	2983038.47	4785522.262	2851030.796	4089881.911	2900001.308	2861081.553	3309014.211	3084308.716	3857963.12	3533037.482	4275170.59	3730042.275	4408824.945	4229668.769	3814880.576	3609915.804	4557883.57	17923.15682	3407832.572	2965489.521	3459788.799	15413.88484	4012652.849	3165284.661	3602500.962	12877.91245	3393207.14	3423400.405	3602967.582	14662.41677	3008550.864	3316427.233	3072389.393	22697.51555	3440930.357	3810576.575	3966720.868	28145.61139	3045053.241	3183341.796
PC O-38:5_C46 H84 N O7 P_2.099	11728734.91	11547510.11	13261014.74	7436997.135	7832897.598	7814600.587	9506058.509	8375686.436	8975930.794	9622334.132	10702211.24	7471251.002	13422478.89	10192031.53	13750454.4	9682479.839	11305484.58	11028239.21	8780592.042	10859845.98	14046314	11226442.68	10186012.64	11457099.73	12486337.96	8581685.049	12152062.87	9765020.828	12310006.11	15666559.32	8806948.631	11029986.91	10381985.76	13700246.45	11012054.6	8426781.176	10796120.77	9037165.382	11671879.58	6299656.087	11191759.3	15248602.67	9111723.74	9913560.7	6231461.358	11024448.31	10946397.6	10487097.81	13788361.36	11777264.66	10940813.5	9056939.216	12354423.29	9013846.107	12179643.9	10833628.86	10241902.09	11047765.56	10427285.77	13395688.21	8238339.73	11636746.97	11484713.68	10772147.24	10216007.22	9347979.472	7867394.327	8533667.103	8804255.97	9176894.392	10111836.17	8677059.219	6343535.058	10516254.05	11014210.33	10729002.64	8960622.749	7892792.622	8377317.844	9930704.775	10652664.22	10442658.71	8467405.27	11614291.46	7915750.608	10884204.13	9743306.649	11920818.67	9738664.7	8702142.094	11403961.8	8714600.911	9785639.675	6091849.405	11981894.91	7744937.019	12335983.47	9359697.121	10845713.83	8588158.221	7075923.23	9114326.587	9477220.681	11022799.37	10399608.12	12750295.14	10165983.19	14655442.49	11478000.82	10175533	9762885.806	10975690.3	21219.04904	9516921.277	10023100.87	10580658.19	17978.0362	9766147.009	9317748.317	10060627.55	15946.76698	11406263.09	9521182.93	9232365.592	16027.36321	9913150.17	9665516.11	9179846.696	24356.16355	9535131.718	11377997.95	13141133.82	31077.89751	8335758.679	8326969.74
PC O-38:6_C46 H82 N O7 P_2.1	9605480.351	6732682.468	12098766.39	5674292.128	6123935.347	5161892.269	5295357.738	5765922.559	5457258.92	6277553.936	7312509.7	4639389.8	9318491.801	6328741.457	9067660.983	5518017.011	7941017.815	4948329.954	5634134.91	5158390.688	6955713.657	4738040.506	4496466.643	4985196.925	5270729.586	4407579.307	4190109.652	4583377.34	5316436.03	6224162.033	7362248.861	7965934.385	6267640.628	11179494.25	7479511.574	5334206.686	6375346.391	7552984.005	5977522.554	6897264.132	7689490.438	8174203.905	7282354.921	7351040.846	4170437.478	7240629.303	6581960.399	7850823.656	8926289.911	9179474.624	5928467.694	4487429.221	6489781.341	6295433.069	7492153.005	7065936.871	4905925.875	6437456.441	4885456.872	9094710.929	5070010.297	7528594.477	6942107.319	6643668.092	4818608.549	5723326.324	4736739.113	5216624.801	8490797.478	5010935.76	5487922.652	5481670.981	5006458.39	6021707.671	6171951.046	6753773.702	7073056.628	4774588.337	7705329.814	6538380.815	6439851.108	6481610.86	4384127.533	5775114.919	6650537.389	7088328.139	7475788.872	8416377.344	4310932.389	4251034.749	5185910.427	5701821.962	7160415.059	4518126.055	6635370.087	5974668.743	7050485.418	3946186.277	5748595.368	5868825.276	3767856.551	5899174.731	6524908.213	5318090.349	5482654.507	6354764.006	4584391.227	7054146.306	4938931.406	4545930.639	4788023.465	6173070.938	24598.30284	5512831.232	6544315.444	5600000.741	20392.33326	5610742.917	5016968.362	7398283.647	15147.72309	4823114.972	6419774.216	4781613.9	15275.91849	6151652.713	5803996.738	5878903.368	22565.71785	6124259.842	6394286.539	5427114.227	30011.15067	5635283.698	5662270.961
P-DMEA_C4 H12 N O4 P_7.84	4881564.35	6411581.479	5550739.073	5672488.178	3772759.06	4847664.705	4964041.278	4285816.816	5916996.417	4601646.126	3651516.383	6683106.515	5501893.638	3708157.662	4639769.143	3686508.187	5350719.912	3263720.366	4316428.563	5192723.282	5252383.592	2694780.416	1666596.997	2320584.566	2968027.194	2649638.755	2803552.343	2559083.526	1954379.1	3508774.224	3258591.156	5173560.841	4206285.853	6112113.01	7001694.369	3228653.707	3609436.499	4775499.407	4322388.949	3870422.716	4458780.856	3882519.198	5765826.886	3787318.304	4680816.73	2834259.923	5294938.216	6338978.069	4267033.055	4551238.684	6659813.799	4664974.23	4667556.066	4188921.241	5199927.075	4474361.393	2940621.885	4560515.359	3888486.081	4834142.397	5121321.031	6983506.808	6648956.769	3451236.155	5701177.173	5349920.001	5451063.721	4349933.919	4756450.362	3931737.653	4885774.322	6269923.057	4587399.349	5224927.155	4426364.017	4085121.532	3515011.092	4816870.032	7083123.824	6338706.419	4255849.048	4420853.235	5551333.785	3605640.729	3547689.197	7895027.835	5185552.114	4652027.241	4783873.465	4211384.303	4631727.469	3750776.185	4290999.074	4066396.53	5250166.597	5834413.399	7599900.732	7183395.532	5418700.47	3393736.508	7961140.139	5144103.911	1283403.788	2205005.288	2259068.446	5914166.762	2408488.54	1107673.682	5202285.983	4028732.007	4717508.885	1385356.837	10520.16153	4166405.29	4506413.123	4386803.08	11077.1521	4331142.866	4185849.543	4675382.824	12332.3434	3596179.99	4429660.113	4501322.638	11955.38612	4042633.696	4125938.832	5305394.789	12180.0661	3308852.013	4787142.169	4857823.821	12848.98284	3736707.912	4092152.786
PE 36:2_C41 H78 N O8 P_2.237	19301809.86	21857008.28	25658997.06	12878800.37	12758957.23	17398087.69	12989035.15	15482323.15	16812824.53	19412245.23	18231983.5	11523933.76	23953012.97	16415816.45	20085283.48	18117857.54	17129989.14	18218820.04	20345610.03	18127920.97	18581071.09	21362873.77	19511141.28	21132106.48	14510114.39	13050316.98	20433153.65	16580893.68	30477363.76	20920525.25	16396708.24	22733511.4	21158766.43	21964464.71	17581445.73	19623866.11	19899846.4	14673607.97	17884487.69	13278957.38	20848187.37	17674049.95	12556962.5	16739918.52	8688141.612	16069089.43	20996861.79	20828638.44	26797658.55	15719259.83	20725242.27	17565470.59	21349592.54	13712661.86	20292442.47	15679873.88	16015239.4	18874222.95	22795944.1	22035580.74	15143243.68	20396718.1	21438890.69	24910816.12	17620667.67	14748074.84	13519808.36	14911233.76	14929647.51	19275659.84	16892891.2	13256629.22	11347154.37	11940142.12	19539448.6	18153962.41	16814134.05	15957173.75	14911440.62	17515877.33	17731274.72	20424969.32	13783587.64	16059479.31	13252495.14	17984454.81	19449793.44	19878880.92	20566459.55	14895596.9	18511598.22	19417176.36	18803270.02	14495241.23	23194741.22	14579386.91	21628459.53	18704637.3	19069552.01	13150688.56	13959888.17	17137372.37	17605752.9	23618180.35	17850911.77	17251666.16	22388282.88	16856155.57	23165235.21	18539514.97	22425411.28	22509088.31	40067.85388	17315102.48	16361082.21	17261659.05	35118.95076	17806183.56	16742208.29	13309624.98	27313.80921	19791066.02	19629089.38	18046640.93	32508.68485	15335942.44	14657020.82	15616392.99	45873.91405	19353911.89	18431812.87	19061033.46	61837.99251	14560162.53	16847256.58
PE 36:4_C41 H74 N O8 P_2.242	3657390.092	4009156.312	4042853.537	2057844.278	3007490.856	3431271.561	3347070.449	3784021.889	3458071.621	4010336.936	3656130.475	2459303.867	3671217.526	3020514.206	3544760.012	3605178.799	3623543.217	3111893.602	3722404.744	2661138.481	2663815.248	2510547.632	2585041.059	2636039.244	2850187.632	2092388.094	2924987.264	2211749.078	3421642.058	3236081.171	3281165.239	4564433.103	4105681.431	4970159.076	3723962.214	4568449.937	3797234.704	3579353.457	4348357.931	3468555.787	3872448.331	4158808.731	2683871.347	3467810.275	1980306.308	3254616.168	4332777.67	3237105.749	4437032.334	3069247.235	4115132.849	3691182.271	3817872.368	4173249.853	4039813.877	4251147.729	3440946.727	3311515.767	3776355.4	4035738.182	3632333.016	3282160.822	3601539.65	4200751.294	3866260.276	3008252.992	3160689.733	3392457.414	3668810.442	3982847.288	3609892.256	3397049.884	2174445.477	3080210.839	4007085.586	3683026.658	3273225.781	3361072.87	3446089.73	3134756.688	3238855.004	3685827.854	3475799.56	3606045.834	2972383.856	3727788.56	3887042.486	3865687.714	4701180.84	3144431.339	3822964.124	3851041.138	3918328.011	3178170.461	3360610.665	2642242.935	3737675.259	3933028.7	3952587.79	2779417.794	3417427.949	3225638.142	2600664.928	3115166.802	2504295.708	3319612.282	2936132.975	2919278.243	3448775.991	3644941.261	3330701.48	3933312.188	19776.19087	3392992.542	3027092.003	3326211.398	17024.98152	3238070.034	3450391.264	3323810.227	13360.62366	3502666.511	3283158.105	3450430.825	16642.56831	3100481.927	2783544.73	3050815.256	25425.20139	3615175.836	3570808.591	3624669.03	30964.08323	3020495.698	3180786.336
PE O-36:5_C41 H74 N O7 P_2.22	17423308.22	16246237.61	22088745.35	8644088.36	13695239.54	15419341.37	5584599.174	17416482.39	11861301.29	16700935.3	17533578.81	10714365.63	20059231.16	15583634.71	18088253.9	19739712.36	16669346.12	17366893.73	19034689.81	12180748.71	15074855.48	19686400.34	19100552.01	18369694.55	20044725.89	15826897.86	22966305.28	14238040.16	24400162.08	24531278.24	14407886.17	10514997.08	19264157.27	20315387.52	16061937.56	18653116.64	18223830.03	14219515.06	16329116.27	7753654.454	16504497.7	9415791.712	11067059.96	14147089.14	7950356.601	15071239.33	19255706.81	15074068.15	21536526.46	9374255.059	19269370.99	16754513.72	18405811.91	19871194.23	17807481.3	19519041.66	17512546.43	17832186.79	20502867.82	21984830.34	12586297.21	15236307.76	8587304.702	20400600.98	17513539.54	13666518.81	9863545.989	14854646.47	19027531.86	7330160.11	17045386.65	12044448.75	9893162.536	10727408.55	17991056.77	16705345.89	17188060.48	13918190.23	14253325.4	16225608.28	16138394.28	18418730.33	7645569.79	15330354.41	13910217.23	17533129.54	18035963.23	19915974.22	17963866.93	14106843.32	16795210.64	17363921.01	17766802.49	14612890.44	19370378.1	13045958.44	18450427.13	18080914.71	18599030.17	13319668.36	12911995.81	14576357.33	17014724.58	9154139.047	17633501.16	18016918.54	22501313.59	17983832.71	22453325.9	22462678.44	8757061.957	21123968.54	18701.84291	15989320.51	14333091.71	15783962.82	16653.20391	15420093.86	14978178.45	16193730.66	13518.3567	15802725.45	15922884.3	16682548.87	29175.91938	14225859.94	14050466.38	15565971	21100.33757	14054347.91	17154737.42	17241483.66	24989.60537	13940868.78	15157553.81
PE O-38:5_C43 H78 N O7 P_2.2	10560841.28	8500418.665	11849197.79	9074978.679	7142071.194	8351459.888	8345844.618	7813019.42	7001163.663	10104787.82	12937291.78	6355669.183	11721969.53	9243938.963	11517442.84	14978269.45	9765900.653	11642419.45	12030675.92	9067195.472	10047889.9	11845564.68	10705042.49	10439427.66	11870806.73	7516141.27	11763500.56	9092254.565	14639911.03	12623896.6	9113593.314	12042387.24	11567728.34	10837953.02	9089574.26	11676406.29	11186711.78	8151627.994	9899202.61	10482593.61	11850725.88	13793010.41	5706530.571	9335662.783	5085247.043	10212606.14	10117364.71	10378790.99	13707656.5	12665548.53	11195529.61	8124576.613	12003792.93	13003831.73	10297254.96	10014760.47	10508079.05	10199994.79	10967199.03	11771775.74	8075149.545	9990054.063	10869653.66	13460347.35	11466627.76	9132647.96	7478229.867	8664391.216	9065915.856	12720988.48	9828339.18	8620217.909	4972265.272	7060428.811	8938878.317	9626375.391	8476191.24	7741544.525	7268238.262	10056988.46	9377763.326	11558640.64	8773310.107	9491921.425	7208201.522	9020240.611	11264994.94	12449847.65	13110972.83	8069247.071	13321456.95	12231114.83	9898568.031	7959401.429	12160946.43	7679415.159	11937601.63	9241030.962	11457713.04	7456793.98	6515764.869	9228242.139	9297017.776	13770604.24	8896893.592	11131245.57	11235868.3	8989045.943	13366934.59	12162517.53	10362864.04	13762786.78	40880.34677	8949193.702	8250181.197	9046035.267	36083.36517	7866639.876	8245800.812	8824302.674	28581.05631	9893509.399	8510825.359	8796343.553	32991.26291	8020822.262	8350794.374	7608945.014	43696.44916	9322767.98	8831445.167	9973134.647	55121.71749	7696881.171	8441793.693
PE O-38:6_C43 H76 N O7 P_2.203	14222915.42	14726254.7	13917802.39	11829072.31	7898920.076	11254056.72	11736203.27	8956991.32	8243728.38	10965305.14	12880887.48	8268131.003	19019210.64	12638668.72	18208272.27	16271930.82	12294563.44	14823643.82	9733529.732	9387324.294	12597167.45	19991756.21	16633463.48	14676383.06	14726388.33	11116515.09	12771208.14	9528840.816	15440775.17	13581733.66	14452303.86	16968624.25	12972977.52	14733859.85	9217507.602	9706193.604	10800960.25	9455062.944	11393594.71	7526431.784	12277768.38	11832934.57	7972707.177	11220440.12	5398496.744	10279658.92	9568339.475	12683130.65	14874533.23	15345509.88	12914921.33	9390103.865	11946583.86	8868900.345	10559341.15	4434692.151	8203908.838	12096255.62	14660437.47	14855607.77	12764286.88	14329809.3	8906085.32	13529255.12	10471354.53	12291069.57	11519991.45	12110562.92	11792894.69	16813214.21	11263780.16	9017917.186	5516464.056	7298871.661	8993827.977	10672932.41	13084304.75	10191426.47	9792316.131	12622494.9	16484191.48	12199129.56	9447831.203	12222851.02	9714389.53	14013607.4	14644877.73	17936581.75	11619483.37	7483272.993	14701596.79	9758841.092	9820974.56	8408746.466	14009736.8	9986922.681	16987715.35	10920900.66	10767538.9	10828335.31	7861271.628	9011175.89	12267553.97	17034166.78	14143417.43	18667256.31	9868179.181	15203977.78	15884932.1	11740149.94	12186835.15	7292236.417	22181.88121	11253665.94	13158593.41	8020847.796	20804.91685	12248790.2	10453089.94	12672521.32	16296.12194	12165400.67	10919305.94	9051085.507	16419.55654	9234567.91	12031376.66	12779077.26	18511.79491	13862491.95	10310929.92	13873552.8	25882.80418	9159553.46	9665142.223
Phenisopham_C19 H22 N2 O4_7.449	2349998.66	2235665.353	2700629.222	2055329.25	1381916.848	1715737.205	1141387.941	1210731.645	2626082.189	1449843.644	1262353.824	2396975.487	1490178.458	1243825.792	1819659.701	1176314.286	2004434.318	994611.4859	1052684.395	1248143.795	710477.3219	602150.9591	476475.8241	841142.0555	782404.0613	986294.6996	363262.4535	604425.1671	328601.0023	757192.5258	3481107.736	6549798.557	3886107.405	6480297.462	4460550.228	2772473.472	2936442.502	3853673.881	4275051.185	3778226.723	3319031.97	5112951.577	5516297.597	3215179.88	2822532.922	2817124.028	2265144.674	1768533.041	837852.8535	1847801.702	2363659.725	1431721.409	1810359.849	1503037.163	1719265.711	1453314.739	1008238.525	1213622.574	1341795.459	1643891.291	1472490.264	1839535.026	1791717.042	893723.7384	1156022.435	2046830.721	2799215.908	1493819.806	1759446.704	1720763.433	2094696.232	1709192.667	924401.6251	2148578.354	820882.8363	1557046.883	1904949.482	1992768.152	2259640.551	2440868.309	1118424.54	1178211.889	1775142.757	720821.1785	1579365.173	2041747.478	1554599.049	1900528.69	2101450.681	1015015.051	1388967.502	841060.7025	1386727.013	1768790.246	2456783.691	1146922.602	2890143.147	2037217.392	2156464.172	1425231.347	1981674.565	997033.8712	410615.8741	765021.4911	867840.9688	915783.4786	532412.7691	621020.9127	792441.2467	614059.829	477099.5683	669477.8964	8547.045233	2125712.326	1684608.26	1604100.215	8543.397187	1509264.85	2187217.485	2187175.935	10204.30713	1851281.542	1753645.886	2206331.045	7666.07768	1676362.963	1705173.23	1751380.742	7717.31495	1711877.141	1640014.461	2579596.991	7481.374347	1792298.481	1613795.399
PHENYLALANINE_C9 H11 N O2_5.883	24348979.84	26674615.1	24705911.97	18388777.48	15926442.04	21918511.38	17294087.25	20306209.43	24979807.35	17335986.79	15103851.33	27466539.82	24603642.62	18967280.14	20793504.83	18643464.89	26139316	18304567.13	23045366.63	24234654.53	23033609.56	18732034.32	16884866.9	17520117.6	19547437.91	16243786.53	16154330.86	17354159.56	19264635.61	19760010.24	17502574.1	25922605.33	19904610.7	3064552.026	23158128.69	19379171.19	21942242.29	25412352.6	27515684.15	22669437.64	22302204.83	26553701.72	35179893.05	24045800.91	16241809.61	20802777.59	27022134.66	22937719.06	15485471.34	19311842.02	24859566.51	21755043.62	21587394.85	21927568.09	21573778.09	22493533.41	17358905.82	21135768.79	24476420.23	20615790	21414259.07	25515163.6	21470347.05	20079709.43	18521533.41	15962526.85	25038397.07	18462107.57	4163503.196	20860597.15	24918229.69	4007545.358	16945146.17	25859013.61	19457434.03	18897207.18	20477018.69	22999518.87	24148055.95	18928018.65	20502655.78	19086948.44	23336555.29	20135307.69	15386420.01	20610927.47	14134172.28	15476085.03	18828761.69	14645433.07	16400784.95	13791805.52	18889930.84	15297738.45	21436852.62	20573361.26	23748249.2	24432977.87	24129204.3	18577096.8	21026010.83	19806876.97	20196538.14	15491759.97	16603390.28	23678411.54	16240419.33	17859544.04	23926322.97	18508171.08	14868366.09	20609593.2	210679.2993	21498243.18	21904719.13	20548998.3	18514.90036	19849741.4	22298261.94	22949214.74	15793.14249	21136157.5	20248022.83	22629787.76	171190.9053	20457121.84	20660161.26	22712608.85	17307.66012	19919221.35	21751785.38	23511338.85	17737.57667	19539494.57	21021560.07
PHOSPHOCREATINE_C4 H10 N3 O5 P_8.786	8979963.445	43590294.11	41348225.89	26130589.12	32107984.05	30477954.7	32616193.8	41909462.39	44073079.66	30870803.42	28907777.41	26736013.26	35587048.19	29602136.83	23278587.78	19540462.73	32829078.13	27114535.16	33564105.98	42234734.81	27309965.16	17333728.24	14138307.44	15499189.75	22695062.04	17734844.64	26179993.37	22749119.47	31220340.14	26613785.66	11045001.98	9116346.3	5628383.075	10958940.73	9766480.969	7052403.556	7623326.99	8574706.993	6083696.745	5957636.758	7950980.935	1941686.727	3287624.494	2587540.911	1490797.888	432678.4971	41161703.12	42447379.05	39549112.84	26445317.19	44640715.68	41079369.12	43283511.7	40559505.97	45593720.91	41994428.38	37426636.16	31809791.93	27324229.54	34878757.19	37618321.98	39074726.33	33027987.03	45507667.81	37627352.76	28459388.55	32854971.11	30389731.38	53004999.92	53309822.95	50112704.18	44683604.01	43428060.21	51713709.1	54274295.97	47702459.15	8498469.841	43700596.62	49403518.5	31259783.3	34677072.7	43728054.95	45077622.11	41442728.01	30538509.73	39629400.9	31597653.63	36014111.99	39247404.35	33601473.09	43362288.88	37924610.67	43181570.53	37879427.31	45881272.93	35840227.7	32269554.23	33918533.84	34020581.47	32274281.17	36272137.69	33237513.12	5151725.598	9622188.118	9617739.958	10416238.67	15095963.86	8652779.673	10570656.62	11484440.74	9648578.94	4481167.913	34250.66667	29091816.83	28912495.82	37986359.16	130849.0078	33643578.35	23499819.11	26858516.93	30600.27699	27325447.41	30010897.92	31624931.54	129442.1876	28724125.24	30360100.23	33107462.7	93173.66088	32694730.71	27848594.67	36907299.2	85827.98595	25333227.68	29428330.51
PHOSPHORYLCHOLINE_C5 H14 N O4 P_8.129	520847012.3	624191857.5	687227292	399296084.8	377888359	419464029.8	518611766.7	994513230.8	505629308.8	344556561.7	283568951.6	533097909.7	613411738	409920768.1	358209970.6	267069684.7	463564563.3	311864599.2	453469074.7	763271765.7	302928193	157609733.4	137261503.3	157599855.7	258110547	218184637	256724032.7	309502479.3	291040960.2	474671493	42487915.24	592675871.3	567920697.3	610172756.1	558595538.4	513712890.2	504343546.3	565495405.9	364653889.9	449573831.7	442554854.9	875915466.1	888205082.5	486366809.1	504313628.2	415726999.4	677124470.8	524130860.8	337529064.2	421713740.8	549607226.5	470416371.7	573324576.7	493444990	727368010.8	661531163.7	473090549.1	63019935.57	318998212.8	401828800.2	443856765.4	545475148.5	461901939.2	583347073.6	714834633.4	379714311.9	577201706.3	487467856.6	573610264.6	564407433	672880957.2	636798703.6	476827118.7	653014193.7	824963346.9	510755423	347834899.8	621155264	725916290.7	395260703.2	364918768.4	416956165	334556353.3	519842500.4	567386777	617033666.7	361577741.3	513997635.2	670505206.9	524590530.9	506270330.4	477615033.9	802461468.8	515313888.1	627063051.1	408997194.2	434174194.4	377362418.3	547070892.6	415422228.9	561706262	582518775.4	215971413.3	190219135	261203529.8	309845973	315009189.7	245276610.3	362710028.9	334280977.5	179411531.3	183138530.6	49743.5854	409904910.8	450984062.8	440608152.2	95522.44535	497563849.5	321989522.8	548657119.5	117601.9906	405286882.3	458394430.7	441821637.4	227415.9143	337670185.1	446072558.1	402582090.3	217810.2311	468902907.7	622616746.2	364609690.7	241135.8576	301553049.6	481512749.9
PI-Cer 41:4;O4_C47 H86 N O13 P_2.386	2304625.157	2305523.451	2718655.157	1678778.865	1855004.421	2462492.629	2302961.766	1279497.055	1606142.347	2488876.088	2877217.413	1269042.11	3042791.662	1821142.17	3503201.124	2939151.265	1979886.568	2697601.258	3090841.322	1685422.11	2160792.045	2491804.814	2694927.389	2527742.701	2521790.257	1253612.008	2945258.926	1731797.445	3590106.283	2708092.087	2300646.357	2847958.907	3539661.527	3130868.403	2669127.503	3105807.363	3104582.815	1734646.458	2548712.87	1937938.929	2712723.733	3532988.181	1618909.824	2542908.937	1374181.629	3214892.461	1955519.719	2260178.641	3962143.836	2649063.169	2978690.151	2039204.06	2649349.462	3103700.759	2705618.344	2470942.874	2824537.775	2815205.476	3220370.389	2698618.271	1794406.777	2147320.007	2540045.626	3868529.687	2816928.014	2551531.129	1432856.585	2187285.682	1608509.407	3027709.705	2706592.938	2202918.42	1122707.859	1802803.652	2527456.165	2478392.997	2245280.476	1630534.686	1542422.174	2172651.902	2204131.125	2545879.92	2179912.732	2345078.001	1777285.134	2327194.526	2809994.821	2590210.774	3523026.849	2296862.445	2813018.742	3113715.202	2668899.39	1898794.624	2523241.88	1835066.927	3010927.323	2123558.135	2713597.932	1521890.21	1644903.847	2392368.625	2762240.196	3356383.746	2146700.88	3202084.27	2843811.569	2367332.496	2443080.659	3075609.951	3046972.868	3595840.171	11750.46939	2007471.001	1894764.435	2127043.633	11407.53953	1878145.862	1788345.947	2131370.184	10056.46463	1848852.41	2080152.098	2318595.364	10088.34433	1921951.411	1755643.116	1651306.044	11946.36766	1971944.406	2021579.26	2396418.804	11431.31622	1749819.337	1916871.938
PIP2 56:3_C65 H123 O19 P3_2.336	9652496.192	16324911.32	11296721.85	9832858.697	7597644.158	8598963.254	7345714.83	9281677.97	9384696.337	7140581.709	6874045.174	24096420.4	23621464.29	17519323.19	21722385.89	19854345.74	26149985.91	17662010.63	20350737.8	22855995.42	49742993.6	29868350.2	35255184.94	38460885.7	30828990.4	34528741.39	39866222.1	39636519.76	39039315.98	45089853.31	4772507.486	14287061.51	7545722.85	12885952.73	9422988.175	11477754.18	9090669.384	8632370.51	11749641.47	8915316.669	7729902.86	22621005.97	34584800.83	22678893.56	15149209.38	17755125.95	11688685.9	9898375.915	8580424.069	8786675.89	13234614.6	11584253.2	11330677.85	7452317.131	12903929.21	10798821.79	8256998.77	19784309.99	21485630.02	22025232.24	20228545.04	9203866.011	24007880.66	20817166.49	19785550.75	6765792.234	8823166.487	8300255.316	9110790.241	7259423.41	9522895.681	7846581.923	6470653.346	9228177.886	8512214.74	5967572.943	14472913.19	18625365.44	21814609.62	16207266.04	19117322.2	18961431.75	29276845.73	22483883.58	7319721.469	12211618.94	8856419.409	9820865.359	9228356.846	9565471.505	8369589.748	10456309.93	13710080.34	8540912.625	12258079.01	17254300.3	26373408.89	23381202.65	19827333.77	18176084.15	21361885.84	16032849.97	29058941.04	34648828.21	30556034.78	47907048.16	31278228.49	50604688.78	45613148.57	37294996.14	31547312.1	40259530.06	17739.92093	21066597.71	17304038.77	19756932.7	15892.69774	17038527.84	17062833.5	19944990.66	12012.65308	19190030.03	21499230.09	21367645.55	14204.59311	17643116.1	17240253.94	18577473.01	23389.70889	17962059.58	18806968.38	20553974.58	17622.67553	20416255.81	17499494.49
PROLINE_C5 H9 N O2_6.569	236003763.4	283344352.3	271794154.8	204405827.5	176273495.4	210321937.6	173919925.2	240771112.9	255029763.7	176453546.9	165662444	270430227.8	212590580.3	207053681.5	161642712.2	154461855.4	256278725.6	140841313.4	216103841.5	258365197.5	225637765.5	161260446.5	156364361.5	163717205.7	202292780	139164342	10566569	164941453.7	167696851.2	196466962.1	186218205.6	263659224.9	203195107.5	290885297	218570601.7	186014576.7	203492180	244091348.1	237044358.4	205318385.5	212887408.4	202689640	279951580.5	190812994.6	110718867.1	147449158.7	352093734.5	288745871.9	204709936	248002082.8	309524653.6	272968692.2	266607195	270139846.6	260573185.5	289448940.3	37366631.31	335718555.6	357290387.6	437707508.3	437611718.2	397348372.5	307914644.8	352838165	351481869	199433603.8	294221336	216061924.2	294292442.5	233528248	288211653.8	231240693.8	212133016.6	266353536.4	233103827.4	223540876	347223362.8	392340689	416197928.3	339257337.3	324576029.9	314540994.7	415805077.5	268637214.7	208813662.9	282047168.6	226720989	222951380.4	259041742.3	196857089.3	218152794	185943304.1	224912687.9	237585358.9	301756995.3	283508152.3	357018045.7	398169296.7	348279874.6	262951096.1	352976695	265099035.9	201851744.1	183211356.8	195174213.8	248705039.6	193956435.2	167027483.9	235175341.9	208605057.3	182713287	197787470.3	18069.34207	258646752.5	259240108.8	254563042.4	134681.8388	251564802.4	246130816.8	271580581.1	49019.59866	256955937.4	252391103.3	272730829.3	113391.9027	239972147.7	245222740.6	266634681.7	119020.3418	266188960.5	267801886.9	264566078.3	140308.5115	229657654.8	257502325.6
protoporphyrinogen_C34 H40 N4 O4_2.222	2370358.372	1907723.094	761863.412	1490617.892	1057218.744	1818291.918	846834.312	1822844.457	1518959.495	1057390.519	1269319.35	1732489.998	1138113.342	520200.4002	1318140.659	646579.3651	796968.8735	676654.4438	657423.7677	877852.9712	63105.88901	30455.5351	63129.0521	30389.4361	42292.17659	19797.15094	41973.26836	99768.88329	119647.5409	34374.96861	1373221.46	1822377.523	1485888.802	1087566.628	1358244.426	796053.2485	1187887.673	1476268.352	1174425.32	1123686.74	1303825.884	629002.9893	822071.6746	565548.326	1679563.76	1171296.492	2728036.67	1897077.106	1271054.56	1199210.079	1105511.048	1553051.053	1386539.409	659847.6558	1512097.451	997396.4131	1307741.652	505330.974	477625.6199	342407.0865	865403.1052	1064314.647	1549555.382	1004824.9	1226894.653	1203306.513	2274088.729	1434775.52	1058795.66	1203037.732	964525.646	695625.1962	992992.9369	1968180.226	667679.7788	866383.8851	1386976.992	1493411.916	1580099.141	696665.8425	713736.2559	880175.44	647657.5701	843613.5296	2032005.237	1664076.225	1005702.626	933774.8462	1189786.278	620217.7903	1308621.129	999708.5849	887719.5692	1813000.711	2904578.533	889432.3787	816395.2471	1081222.089	776909.071	921950.6475	1371725.392	815739.3766	50693.58496	48833.14098	74118.62134	33466.64706	24656.26831	37582.62516	29020.52877	68323.37255	59573.80156	49678.72771	16681.11386	1296628.782	1225035.515	985754.9053	10450.07221	592161.8384	1675907.077	1471725.291	6264.636092	1059296.542	892817.8505	1216724.769	5554.286031	827031.49	1534383.167	1524910.545	5327.280173	767454.209	797697.4425	1250832.924	4561.907557	1493916.142	990749.9698
Resolvin D2_C22 H32 O5_2.19	104974280.3	95244293.75	64991634.29	66629553.21	37144340.26	53440207.85	46045262.57	71091005.64	91237029.55	48155904.95	46780431.97	108238792.4	64625989.75	45429286.29	105836915.4	60648258.32	87099052.35	56652904.04	54900042.77	81207389.03	26622619.01	13189736.84	13364246.82	13639374.91	9558225.224	16980093.46	12510618.12	17390549.86	13164940.74	15138237.57	46982905.87	80962608.1	51755449.54	76523826.26	75633579.45	52933649.89	38442835.88	38583393.75	67659362.87	41975710	50187941.38	59453654.6	99077790.26	68122209.92	42059705.67	48963273.71	86542027.27	67463751.22	53712054.9	56872450.59	83981259.05	50637126.82	84869346.82	52922238.36	49622226.28	77452195.93	35016443.71	63231201.16	58537867.71	55612596.28	82417018.22	69812872.07	99372679.64	57545262.26	72940410.38	36843233.78	90104058.96	48750206.45	65912741.79	53641431.89	65020149.08	43941825.3	38278641.77	82755227.86	55425528.01	48452771.67	53186544.33	90050221.49	118033845.1	48767332.86	58665393.51	52615876.09	69354076.71	54159548.74	49430961.18	78726301.45	52280104.44	50836062.46	49274609.59	41381427.05	54339632.63	46395838.31	83077848.36	58963253.54	81603380.44	58002196.55	77089775.02	75794287.35	61568616.89	52808299.78	85328928.14	42637179.89	14570104.91	12740432.69	10851097.59	21403165.47	10489099.79	29054300.37	23031589.22	18858752.25	10316524.09	12102826.63	23873.31214	62962996.59	60152062.57	25252363.66	23169.88419	58776816.3	57223943.2	65068066.15	26637.01564	63417412.37	57305152.52	56584032.93	15216.04456	48497908.3	52742392.63	53873102.09	19710.27636	52608269.5	64609562.37	63615809.38	25049.07917	49578698.33	51761023
SERINE_C3 H7 N O3_8.124	10297232.01	10247771.88	8254819.052	6217032.663	6866292.199	6526693.081	9336916.314	11461414.99	8235142.115	7661980.216	6937204.502	10760683.95	9270201.358	10238035.06	1287521.608	6889304.138	9437132.268	9350376.267	12055032.89	12773326.73	16560846.04	7043476.623	7059842.542	7368136.55	9197632.516	5172970.209	2161335.426	8753958.3	9589951.896	9382650.77	8219192.844	8068482.033	8674916.556	9711511.102	8065734.227	7106850.381	10302799.25	9959613.267	10795586.41	8774137.512	11135882.82	8612900.047	13779884.51	10340116.69	10356351.01	7562884.892	12313262.08	11519446.64	12624776.12	8616021.288	11623508.86	11634891.59	10018656.96	11226013.56	10030148.92	10440383.69	11094787.68	14836233.91	14395202.08	15111670.43	17043402.79	15682211.64	12552736.97	22474603.1	18801876.15	8359845.415	11718121.79	8997772.962	10850814.89	10971651.63	9685966.244	9024781.605	10853057.39	10012529.55	15407841.78	9931151.083	12393033.73	17923653.52	19344172.54	11570853.6	12028454.78	15217338.28	14546060.81	16229283.5	11686223.06	12598248.51	9728717.252	9580513.747	11697182.84	10204306.98	11497437.34	9769856.844	14278079.98	9404300.149	13432645.08	19942150.22	13207934.8	14677330.38	17144803.45	12326199.1	17542509.69	17130705.4	13143003.48	9602729.26	9436587.98	11241388.31	10321345.76	7704987.445	13236162.15	12056488.38	7517371.474	12380025	31707.18979	10668753.27	11974621.93	13103980.06	189859.9399	14169305.13	9554123.402	11480774.4	12417.70119	11311164.99	11769999.2	11528212.29	253460.8723	11452232.61	11610102.63	11512116.84	267076.691	13564392.55	13852687.52	11012648.79	494258.1739	9120117.169	12809426.89
SM 32:1;O2_C37 H75 N2 O6 P_2.405	7112949.927	8200283.66	9069122.668	3067560.848	7577753.854	7660145.366	8348033.243	5671638.404	7986330.323	7184704.329	7106544.8	5848284.443	8018613.51	5834932.369	7632876.431	8203641.246	7615267.465	7026823.468	8432570.666	3623967.277	9831712.738	9429413.223	10604489.39	9725526.929	11872495.44	8369874.016	12682131.69	7755182.583	15642004.73	13379122.45	5301731.331	7151489.079	6781950.419	8890053.999	8009272.403	8989624.126	7815648.029	7316907.505	6489610.874	7068448.861	6537899.876	8444490.59	6765339.927	5971844.141	3850140.837	6976047.661	5584642.776	5185864.955	6808695.245	8868654.513	8199718.387	7931560.917	8527385.093	7805249.301	9365767.84	6846071.401	8138722.414	6746150.381	7999250.163	8303697.622	6827020.841	6173806.607	7392715.966	10221534.17	7316831.641	5005777.611	5787363.07	7086914.742	7278602.136	5952296.722	7613103.026	7142945.349	6094471.151	7515518.754	9072575.391	7591020.711	5203279.859	5642250.188	7704108.054	6906514.606	6683156.644	7314148.325	7953069.696	7366330.839	5945705.279	7822587.618	8077881.604	7566707.905	8384146.856	6823540.11	5653978.859	7794178.676	9107131.304	5108815.287	7931986.599	5974885.42	6933556.456	6043395.165	7848129.616	7235587.131	7285188.801	7231902.795	6298586.005	7595243.121	5889551.153	8055386.648	8315962.777	7813075.869	5423589.246	7717671.801	7541439.045	8280441.421	7686.938748	6420244.111	6878300.399	7287822.772	6443.109832	6533353.296	6850397.876	7678937.882	5922.004285	6375644.795	6435046.261	7683249.173	6261.419672	5618110.018	7176089.683	6669938.222	7281.407876	6183868.783	6748343.883	8183992.349	6662.257148	6083828.38	6640016.619
SM 33:1;O2_C38 H77 N2 O6 P_2.403	3127163.983	3687556.251	4340908.643	1501166.307	3166778.176	3467793.042	3912397.011	2584744.977	3161476.862	3466593.623	3360732.452	2388918.361	3627238.144	2442319.634	3209573.01	3556485.843	3088979.295	2993382.018	4021941.659	1666982.132	2921789.989	2796412.124	3066228.347	3044470.894	3415665.96	2398409.633	3505757.97	2196850.6	4273377.249	3859823.695	2567481.301	3549047.879	3225178.992	4094544.035	3720259.344	4071027.661	3745648.073	3235373.888	3202827.321	3298797.925	3251094.417	4586530.284	2749640.826	2638240.208	1656118.862	3412217.828	2419792.141	2372828.12	3279772.041	4061396.149	3794417.212	3567550.412	3578551.875	3842900.233	4188748.699	3084963.996	3858308.617	2840259.362	3678264.771	3618926.73	2761595.257	2528851.935	3066775.899	4757644.39	3211174.956	2432246.866	2471014.264	2997369.233	3042936.578	2964799.741	3236860.291	3129923.865	2398941.661	2768633.688	4172529.246	3412737.566	2376043.363	2720049.115	2631561.846	2863082.259	2919566.448	3319861.104	3409955.234	3220038.116	2828458.568	3378072.555	3522305.394	3447825.639	3835972.421	2894481.567	2775066.871	3633160.957	3734512.733	2396066.157	3981455.932	2586363.956	3228524.997	2569077.231	3382586.021	2745069.262	2978106.495	3378031.944	2473792.039	2854444.461	2275856.405	3522864.083	3201290.112	3043922.585	2106836.38	2942627.305	2855415.603	3910930.494	8496.688645	2729659.298	2770436.33	3080032.292	7210.896913	2588984.393	2854630.575	3308028.073	6501.776738	2503945.808	2666689.694	3396323.532	6860.022204	2295455.894	2850502.64	2709291.704	8153.056013	2658866.864	2696184.029	3423488.193	7573.446544	2497761.446	2782907.507
SM 34:0;O2_C39 H81 N2 O6 P_2.365	1680478.817	1719531.279	1661661.349	1590617.725	1631246.697	1729793.688	2071601.967	2044918.334	966013.6551	2798326.911	2249914.305	1197483.678	2009399.381	1581532.35	2253983.573	2428886.193	1227035.287	3023555.02	2089608.459	1923955.998	1614909.932	3693081.612	6635279.86	4543072.067	5018987.206	2049612.077	4444119.639	2624554.984	9810029.785	3824427.495	1369146.574	2352212.839	2160771.054	2428165.5	2285470.759	2872786.334	2275832.92	2069808.183	2098011.76	2119420.1	2552471.058	3153363.053	1498803.313	4474522.525	1485415.303	3119590.004	1527084.871	1335175.357	2805201.458	1842195.427	2790162.953	1698363.643	2098704.457	3151923.118	1601192.946	2361630.001	2227572.695	1904471.431	3619889.82	2423753.923	2048668.256	1630689.738	1653921.973	2251048.024	2475619.801	1827842.866	1577008.545	1906076.848	1826127.101	1912842.029	2356297.31	1739707.221	1085571.174	1015755.839	2740147.983	1876275.833	1679913.639	2088664.858	1126664.103	1585345.382	2571796.356	2054520.439	2225306.84	2608016.064	1311087.177	1407129.25	1885007.162	2676551.976	3677843.369	1943358.352	3066482.43	2868392.301	2029952.432	1984280.533	3098164.463	1817641.792	2503444.257	1863810.728	2906292.962	1707099.959	1902343.658	2058360.53	4810848.336	6517264.758	5204886.687	8113982.705	4383190.735	5437385.569	8292730.757	6716671.764	9196104.554	14038773.25	6687.647723	2450880.57	2373958.368	2444258.524	6109.805554	2376761.917	2685388.733	2627832.326	5537.787863	2482648.603	1915842.708	2813621.267	7494.633367	1935986.869	2691488.939	2649526.685	8034.45327	2321588.869	2599392.642	2078119.473	9517.132714	2356274.977	2677556.672
SM 34:2;O2_C39 H77 N2 O6 P_2.402	8983546.278	16856732.21	13051300.15	4497621.79	11503418.46	7837337.015	11379088.02	8710284.183	12157734	9620305.234	9515282.735	10768941.88	11453622.49	8109059.651	9151752.473	9329433.456	13148309.43	8333343.053	10715149.19	4953581.464	15977546.87	11794696.21	9406316.775	9338763.155	14439193.71	10661531.94	10040655.38	7171543.293	9860477.885	13943898.29	11010244.2	14100556.36	11450560.52	15271471.08	11034901.42	10661962.21	11593079.42	10737171.5	9063197.15	9500746.124	8998864.369	12957161.19	12514905.03	7600239.394	5647171.915	7334821.168	12051953.29	10959636.12	8876061.258	16136331.01	14410845.44	12495122.5	13342472.19	10975883.72	14912807.86	10416873.51	8296679.135	10374539.75	9229093.956	10215976.12	7994387.784	10062946.47	9836839.499	10113948.52	6807514.774	7061964.653	9976191.301	13136448.03	9028594.79	8655381.49	11839963.58	9648606.487	9163281.116	10968277.9	8361397.564	9839771.72	7748415.745	8336776.837	13256761.22	13244460.47	11467139.82	11215704.93	11035953.67	10078493.37	11410246.82	14948838.92	9431592.692	13020758.96	8947849.75	10282661.9	6017959.826	7089821.4	12404987.16	7929464.652	10446377.46	7897058.472	12450454.8	7616757.34	8736506.204	10045078.24	10936996.68	7204781.229	9066411.883	8753549.162	10670218.09	13321288.91	9156122.42	11483990.28	5903476.744	7377942.358	6704802.542	7449462.622	11016.40792	9592695.205	9220278.766	12845313.07	8915.805319	8857457.467	8732182.658	9234868.526	7518.561184	10562448.33	10142720.3	11105549.76	7069.034195	8778428.479	9700568.312	9651863.986	7610.131962	9377067.33	10398518.53	11525235.49	6852.26768	8997599.715	9340809.994
SM 36:1;O2_C41 H83 N2 O6 P_2.388	2001908.21	1862918.974	3473896.755	1768621.553	1833939.852	2993869.479	2386919.131	2058648.543	1043551.179	2632026.512	2572058.749	1288345.443	3264713.884	1753547.123	2368896.637	2371174.846	1670320.283	2566913.106	4384415.041	2020391.044	996179.6162	2418489.689	2835539.527	2667745.89	2105506.302	2208683.427	3223598.62	1944054.67	6179051.216	2409730.06	1714166.6	3237264.258	3657506.746	2682300.236	1666688.727	2920821.712	2527890.029	1956004.705	2283420.969	2196204.852	2428294.421	3921530.187	951314.725	2308194.847	985298.9285	2110936.346	2022032.021	1604438.456	3249377.23	2712975.6	2649668.633	1742763.782	2273573.291	2705740.732	2720617.65	2683431.589	2544221.948	2388740.518	2150905.483	2282657.653	1857906.087	1655046.791	2491140.809	4108350.223	3325220.315	2123060.695	1837878.008	2041480.92	2243177.225	3304124.11	2416813.744	2529768.862	1023859.708	746619.4704	3222278.321	2024302.452	2450960.933	2034494.649	1170695.424	1902298.872	2279298.264	2919225.907	2367789.309	2472148.194	1628017.211	1632268.288	2228979.493	2850606.289	4195487.731	2094793.249	2154744.506	3254060.555	1718118.02	1979804.311	3248761.148	1706994.196	1930860.014	1948428.307	2996168.062	1453260.664	2066527.574	2277437.222	1703585.852	2510751.963	1839605.449	2214329.703	1991678.382	1579329.114	3056534.057	3059579.556	2582412.929	4533520.298	11812.41018	1969069.321	2243530.411	2160819.008	10858.64151	1580312.733	2150696.906	2185212.329	9948.35138	1922913.594	1970170.282	2726982.233	10365.67289	1664018.474	2026679.28	1998092.369	12586.85628	1715148.312	1959780.115	2326027.352	11464.72564	1679836.125	2240645.58
SM 36:2;O2_C41 H81 N2 O6 P_2.391	2108883.46	2668352.485	3386611.434	949477.2082	2229050.054	2428814.529	2462152.377	1898721.997	2116357.647	2080749.068	2200813.808	1513207.968	2668899.984	2011082.229	1884144.925	2378586.229	2178923.252	2381228.116	3032139.246	1405318.013	2050345.323	2022991.853	2532969.413	1765223.301	2869098.436	1954168.588	2627679.36	1936935.546	4208855.202	2171721.008	1696831.276	2820477.813	2493771.267	2833928.801	2236672.377	2347764.759	2435375.313	2208078.419	2153252.114	2356689.479	1875379.223	2950515.063	2014861.316	2028372.806	997308.8064	2224146.085	1365610.382	1608591.822	2238811.554	2996277.733	2608598.526	1389665.829	2414952.595	1801557.657	2900748.185	1830319.571	2414805.208	2066426.293	1927411.638	2684907.95	2159385.287	1899955.918	2018840.305	3081399.75	2243517.476	1793339.981	1803942.05	1990406.788	2622976.47	2153824.785	2359320.817	1944449.041	1670645.425	1868477.381	2114142.65	2076140.657	1886154.052	1843509.428	1480598.387	2129669.52	2406399.589	2273990.569	2154746.385	2252736.799	1593299.205	2317253.536	1884469.84	2537711.511	2971678.107	2142572.649	1744433.114	2228970.319	2470598.759	1758002.81	1735130.473	1905977.794	1568257.138	1725122.147	2485512.53	1948526.305	2047101.805	2133688.849	1674631.222	1288225.676	1700846.489	2172994.702	2062792.493	1809440.939	1797042.513	2130697.894	1794885.363	1879738.045	11318.04288	1970002.035	2200609.462	2047005.221	10163.9609	1992164.59	1979509.519	2146413.155	9296.147536	2124282.635	2025639.254	2274315.542	9521.497732	1707371.93	2189969.168	1987083.049	10852.0027	1928947.223	2091167.855	2390695.696	9988.437715	1828597.348	2022562.92
SM 42:2;O2_C47 H93 N2 O6 P_2.324	2370346.17	2130053.696	3754265.308	2871474.117	1336448.639	2623579.678	1659547.888	1780447.63	771669.1132	4440010.607	3646639.268	1249820.312	3934437.24	2245087.002	3776254.206	4192071.472	1435260.71	3061676.318	4836490.591	3239785.628	1503356.27	3773394.984	4308014.405	3608272.97	3358311.157	4275393.246	4153347.743	3700383.735	12727104.89	3919534.999	2399344.582	3873565.008	4545055.173	2836707.888	1797257.108	5224600.416	4317472.9	1340856.997	3281328.624	1773343.674	4887140.571	3649001.728	454896.4706	2705086.667	972652.8197	3010384.883	2648070.407	3613177.614	6273208.156	2947178.477	2534081.947	1266590.919	3338693.93	5863999.872	2797198.951	4348754.412	3468794.897	3112351.435	3758350.138	2911713.303	1630681.564	2505726.96	3339340.169	5895296.27	5246732.694	2605280.718	1369379.33	1718468.636	2272865.871	5583253.222	2988280.296	3478608.332	504639.6142	762312.6586	3830967.615	2650519.439	2851283.626	1571414.775	958966.9838	1980613.941	2141940.713	3229960.706	2064097.222	2619891.164	1257784.896	1797892.805	2908114.391	4519409.542	5084006.323	1856936.766	5490046.715	5570375.69	1934905.133	2235523.216	4683813.89	1265757.253	3861305.805	2164131.373	3920362.088	977502.9066	1576315.318	3046126.102	2351771.561	3691283.184	2204067.774	3229365.293	3339357.345	2040186.552	5285960.823	5227119.366	5479852.383	9344875.027	19388.6153	2111247.512	1809354.265	2044445.069	16975.66068	1924392.505	2008333.752	2157463.29	13572.44333	1828317.397	1938088.92	2889672.058	16814.04803	1612450.546	1867484.717	1685581.911	34917.06313	2037671.555	1798133.699	2264128.343	24319.5169	1686973.643	2224389.124
SPB 20:0;O2_C20 H43 N O2_2.4	92923.15905	4399214.166	42627.11215	34029.18448	78146.70059	31346.15545	43536.2671	27878.92066	15978628.93	26608.63777	26727.38757	68052.09973	65369.19522	50449.56124	90717.41086	57527.5731	56991.85776	395061.4697	44449.57344	50363.20342	98457.04417	68510.43962	77021.77274	68313.08404	97993.75264	69645.54389	69818.70147	79293.96165	132169.6803	106060.7121	296358.3716	70979.01091	32771.94798	49049.17666	351532.156	30200.64729	30341.48483	47485.04114	46309.56957	31553.58673	43309.18432	68361.25438	82112.72258	50857.91436	30507.05789	62524.84065	47355.33745	40971.99409	73580.00394	35338.8632	36743.7352	31070.41262	32483.05332	331468.1775	32711.93667	28115.89991	30532.96219	50022.03296	174132.0535	50878.46349	47871.01358	48901.48919	346959.125	90868.25795	46575.82313	33854.73823	88341.4791	44582.29745	47791.73032	28371.40499	71248.04909	50739.20685	39135.89947	42476.69162	33335.70821	44574.90408	47240.37878	60515.22676	63391.50324	47298.76506	53321.1794	43312.38236	49920.58646	114091.6734	35114.86296	47292.01256	65036.97866	55577.52843	37120.73543	47905.84616	30599.89195	38933.39462	59544.57757	26660.12261	37394.52593	1349412.847	62105.6926	55617.3548	66773.33193	42527.68897	165417.4568	38663.84245	76075.96392	71472.62647	68880.89855	97356.06339	65767.01264	85271.38715	71170.29701	65207.06673	57276.77453	63000.63266	415858.5545	170010.3499	150682.9874	181816.2212	790187.1463	97751.77407	175299.7451	139881.9759	725683.7986	165679.5736	179210.2389	172621.7301	637797.7682	116131.6771	187202.502	125593.7613	569425.3829	155798.858	165055.7963	158026.1225	490943.4772	166300.4684	146853.5948
Streptidine_C8 H18 N6 O4_7.45	2953944.239	4300390.421	6264669.226	2205039.692	1210873.83	2288457.64	657532.7089	725397.5834	2976592.831	1335508.106	1065325.876	3018327.701	1115188.912	716290.5557	1507349.688	689968.5851	2024822.818	423968.3475	552998.6351	1041669.549	170989.7615	100478.1963	77134.02482	82545.86565	275821.5804	526838.0334	44713.71891	281962.6039	55428.8398	257354.1008	7876832.997	23716505.32	12763601.48	24686339.19	12731214.46	6770416.312	5994903.675	12902868.87	10870286.29	7713393.397	7271004.258	19353202.33	17508495.74	6680288.664	10622460.78	5936332.418	2225292.149	1670426.449	263020.2934	1499360.75	2129159.277	941487.5696	1628117.692	1186408.797	1554372.407	1542968.986	629771.1624	456612.8566	525576.8873	1502456.154	818307.7943	1368898.083	1233033.557	255023.812	565323.5758	1651596.725	3035587.355	1199777.466	1674065.875	1334356.779	2522840.118	1448011.6	524018.311	2715255.682	346389.7195	1339155.942	1487678.821	1561432.683	1971603.119	2186129.137	659336.6777	539095.6044	1198056.62	173636.3391	1157850.354	2322062.724	1370718.362	2087768.885	2256699.269	736291.9453	968072.2677	453652.6875	1067219.639	1468837.804	3343569.315	497924.0574	2703140.711	2137625.999	1942826.833	1108651.273	1655666.664	500186.3228	73225.77409	171294.5893	251290.7625	382515.6516	78012.49193	280521.8241	297230.47	198590.2663	103707.6585	163150.9241	28840.19442	2234932.668	1499594.837	1286918.656	11771.07772	1061275.744	2083944.208	2207265.292	10770.547	1755805.24	1489441.133	2161539.807	6054.433621	1523017.064	1570878.646	1749266.118	4774.094817	1279436.031	1083999.579	2688171.303	3381.006683	1616748.262	1480822.209
TAURINE_C2 H7 N O3 S_7.829	31385711.03	38526871.16	43157986.18	21969889.98	18769242.2	19906135.54	19640118.24	26669152.27	30783363.93	20405523.74	24460718.64	27317575.06	25645442.98	22232151.52	23908351.04	14487446.77	26726330.45	14028216.54	16589869.71	25112345.9	17268008.91	16066285.98	8882958.576	8875114.093	20004228.01	13895594.07	12325562.51	14374853.64	12751109.62	22906579.51	31368107.11	31091689.7	22217604.56	35126289.06	28646959.52	15608606.55	23554595.9	26295532.58	24858120.27	20768615.16	19941984.61	31427783.26	23547702.38	17680859.87	25280831.68	20893193.1	33473851.94	25081638.36	18572909.45	27122980.31	35011026.62	24456691.31	29605222.7	22076398.22	31462756.25	28623733.88	26119236.39	15521301.78	16569804.24	27471358.82	21357526.07	25012573.67	21748485.77	21948630.17	19998439.88	30079561.44	29798898.12	21069109.59	30492450.69	22588221.8	32184225.24	23039303.31	19796224.63	31924335.71	20128099.12	27030114.37	14685410.91	20585910.78	24281758.81	23947436.73	16724862.86	19286514.69	21560626.39	13175806.93	23921951.02	36177297.5	29472447.53	35546255.43	24425367.81	20778379.21	22371367.12	18390899.47	32512817.17	26168148.86	34426111.02	15747012.34	28306645.83	26260977.81	21363608.23	17441165.99	24803768.59	20680699.05	6390964.663	8847872.134	12457794.06	12343189.27	9311907.845	8981175.723	9238551.463	9575638.576	7136833.997	5561800.949	26458.74902	22520108.05	23186035.07	21827423	33638.95536	22691405.55	22572164.76	23806128.52	21170.89042	23208439.79	23723535.25	23250015.63	27808.89538	21894433.88	21666143.26	21988294.28	20098.10142	22718452.54	23443365.92	25180489.95	19871.64471	21626030.07	21982003.76
Thiomorpholine3-carboxylate_C5 H9 N O2 S_6.812	31619.62526	19702.1304	30427.36562	17985.45867	19463.23219	40048.17426	23749.2746	25913.06093	25809.19711	25615.22607	24486.2407	30524.31254	17008.55162	16673.8831	26641.74786	21487.8083	28588.65061	18831.50557	30078.39028	23857.48532	15582.9329	18219.74551	26010.52201	16589.46901	19458.68141	15652.63832	25424.0129	25027.39376	36833.47178	23306.60573	16301.39016	19220.71648	17656.22882	19362.56671	30791.30891	30736.39847	36188.62486	28273.14369	37060.26609	30839.55858	23090.95918	38437.35617	48964.79072	20118.27437	23477.43396	60789.85874	3154366.641	2595136.904	1317190.227	1827802.678	2994966.534	2989942.486	1877801.995	3255157.521	2262482.721	2667553.156	2192205.116	4746071.216	4790752.664	3817116.793	4185020.59	7935768.125	5659966.405	4248644.058	5660932.695	1367074.195	1942701.347	1559019.241	2020781.214	1843606.235	2179930.919	1698039.937	1592622.216	1892608.481	1405210.205	1752113.824	5204258.026	4726778.83	4164667.931	2333552.423	1863427.135	2967714.63	4456696.638	1604486.839	103155.9188	108567.7397	76084.83583	100855.1468	124864.1623	88780.53709	88496.75111	66754.17426	87021.49325	81075.1582	133293.2462	282178.3408	163020.7217	230234.0547	162263.1112	146431.5429	157650.8969	156886.9951	247396.9326	130756.0826	103499.5107	216951.1906	157048.1209	124421.4252	283712.2431	115289.0847	106497.7587	227570.1869	14905.95257	920046.6622	958295.0163	940138.5745	15474.00737	944630.5161	902522.7853	996117.231	14203.65586	902663.1136	924432.5754	955450.1223	14915.28865	921319.4447	887974.3173	922202.2599	15945.03071	1023277.298	971586.495	996754.9935	17785.35615	807509.4789	948435.3136
Thiomorpholine3-carboxylate_C5 H9 N O2 S_7.454	78876.3924	89886.7997	99755.12205	67737.11793	53003.46204	54598.18719	56788.95309	65032.36796	75666.04076	59401.22107	60843.28544	76095.37773	58886.70763	55351.45809	61085.93627	49541.45056	65080.59511	45604.99498	51691.81601	61424.46358	38917.1756	30589.23446	29343.57514	29886.90753	40181.69133	35928.43005	27673.66795	36995.13281	26725.63096	45598.65353	107037.5063	120335.2798	103899.8122	127841.732	96460.09246	64645.69254	81131.85433	108773.9376	98502.50872	95474.08108	94685.09332	123745.8778	125991.3253	92662.95425	97706.8515	88389.01426	3724969.823	3091612.149	1538289.481	2358099.359	3440771.275	3416416.507	2282907.398	3632988.39	2828926.051	2505465.419	2323697.531	5698801.133	6431636.721	4621002.408	5104336.146	9649469.892	5481689.089	5026131.34	6048489.497	1746029.874	2298024.892	1779194.013	1991415.33	1900247.828	2223698.078	1872492.974	1613760.779	1974268.277	1398611.179	2200062.03	6476253.892	5218902.783	4744357.168	3268223.461	2259970.897	3474408.832	5226199.685	1657391.269	169780.1684	74997.72041	60694.68521	70056.80688	80208.9866	51234.80725	58593.04383	44235.78123	62058.63764	81645.65355	98744.81896	537727.1718	189880.3139	221213.9023	166908.6377	142276.384	111496.6722	141676.0447	373591.7035	178771.1215	206484.572	407456.0065	208115.6399	156609.4871	480553.8504	141401.256	128426.1126	487973.6988	12532.99251	1150898.989	1206427.137	1010368.394	11210.42456	1096410.592	1121515.116	1139307.252	10138.18555	1137482.38	1254505.773	1103044.706	8614.385615	1177516.909	1080118.582	1135394.152	8692.83519	1171276.925	1095687.142	1197919.123	9823.496658	1115439.193	1088636.385
tridiphane [ANSI]_C5 H5 O8 P3 S_13.093	18440397.72	18576938.97	18179096.34	12751971.78	5883879.387	12783699.37	11485890.63	11120641.05	29140038.44	10019608.37	9103138.44	27989680.43	15329146.08	5251577.425	12215738.23	9554540.06	14378150.65	8227078.37	14549330.29	10661080.56	12732520.31	20884655.87	15091234.24	13726418.1	14358656.48	12064587.66	10767353.19	9838787.707	10379990.14	11134847.08	7235133.524	17717745.2	7130574.51	22136695.68	10642078.15	10325784.96	7325000.225	19539143.55	17534390.98	12970187.34	12309659.07	23710300.97	46939966.47	12640249.69	18012919.02	12085561.78	24242546.19	13212254.74	4795236.3	14134868.41	18268622.72	11700546.64	6721108.422	13579586.7	13084110.05	9853319.998	4651694.33	10562679.2	11061149.44	42097.32121	10846126.94	15467046.58	7481926.807	11220263.09	10844290.8	8352554.957	34172253.62	13349063.73	16632277.58	16569754.43	13617809.13	14435681.16	8213690.748	12052657.58	9807344.887	15550091.32	58602.13135	18937280.79	30152383.61	12717760.47	13442584.7	7390286.154	19379942.57	10230176.29	15810960.84	13834122.4	11336211.75	13312973.2	12838879.11	8521157.785	12443021.06	6771854.452	12892126.87	12934055.03	22197027.23	7454471.668	12846506.64	11969122.22	15320560.2	6833760.572	13719134.48	10519134.32	10409723.28	13104498.94	10808943.5	12743745.92	9967631.391	9261297.687	13148261.64	8397420.683	7687533.462	23445147.61	66165.05847	15327992.66	12943523.63	12553401.35	55136.29477	9557121.682	14408233.78	19058182.26	38354.32207	12647544.86	13719100.61	16144122.14	33094.91803	8763278.344	11800826.64	17119992.27	32760.69553	13975561.96	13768900.07	9091447.55	26173.61265	15521381.22	14401139.16
Tris(hydroxymethyl)aminomethane_C4 H11 N O3_7.828	3885677.835	3235603.666	4677920.189	1766042.659	2001908.436	1184458.324	1652055.245	1013815.087	2483301.948	1095130.249	1572893.953	2894057.365	1492135.1	1333532.668	1651078.625	6976096.459	2272086.687	1165596.084	766210.3495	819667.7246	255115.5778	1040405.588	1576320.506	530745.1034	485087.8138	554273.418	395953.0904	365418.6031	529507.2327	537056.2187	2324336.71	2373793.054	1631634.704	6279380.719	2822705.504	639348.8019	1464347.665	3529260.225	1904772.2	1757634.039	1279346.064	2356833.849	2266321.205	1807568.288	1296500.79	1235673.617	3746690.167	3236457.247	1300242.461	3453632.251	7450846.814	1880313.438	3332459.31	2613708.969	1922438.33	1810265.429	1482374.442	1260057.32	5049202.322	3024396.802	1242336.539	3527551.198	2759208.175	1533471.233	1011355.089	2023532.488	2486097.35	7215785.287	1734008.71	1196147.334	11396527.91	1454725.564	1608148.763	2491580.285	732594.4561	1588719.485	2089265.674	1496000.188	2108994.086	2336739.912	3022624.177	2131084.277	1996230.265	971905.7233	2576986.738	3575527.063	1607241.055	2421667.601	3570166.101	1989089.805	1304964.73	894148.5319	2720718.314	1393366.964	2322015.075	652768.0318	1829657.241	1057587.863	26110988	1676218.519	1169968.111	833559.3067	3183004.5	312599.1105	1887378.032	1787180.917	357487.634	1096566.312	1834912.495	1269787.068	649849.0694	900564.1205	1289584.171	2264082.066	1845586.936	1497074.066	648117.872	1683228.141	2192814.717	2070597.367	539640.1992	1909598.234	2148299.705	2176258.352	526272.2785	1824199.274	1751957.289	1919629.057	467604.8141	1728638.742	1841321.766	2872061.108	58723.84083	1240575.99	1916878.213
TRYPTOPHAN_C11 H12 N2 O2_6.395	4060733.314	6348619.819	5664574.468	4388814.142	3078348.476	4280937.653	3429051.964	4230961.671	5370851.937	3751440.772	3213681.034	6050674.305	5374755.931	4223901.021	4551654.86	4303288.527	5492445.859	3721287.052	4572413.944	4379453.618	5399806.056	4204920.145	3699855.776	3839856.069	4170521.016	3236029.398	3367076.401	3289235.832	3804728.999	4050962.757	4151367.367	6213485.957	4408401.642	6343760.093	4615193.429	4007962.404	4601791.043	5451101.746	6116003.877	4611893.062	4633286.175	6242701.929	7893335.09	5369194.749	4048860.636	4109137.914	5288358.372	4829276.153	3126340.286	4016959.06	4529557.44	4029556.153	3909487.313	4068608.523	3879273.76	4156523.798	2907961.763	3554794.699	3802779.49	3410754.63	3135739.467	3763215.063	3372331.298	3107608.105	3174533.479	3084325.024	4866608.762	4077795.647	4278305.432	3733532.677	4376003.29	4142356.686	2932995.834	4371899.539	3441127.876	3411647.002	3193783.948	3810319.189	4000479.025	3210928.493	4347255.103	2953114.16	3360097.008	3691843.262	3281802.404	4629149.821	3123785.245	3543170.075	3891614.686	2872285.995	3315088.557	2780094.571	3789973.157	4228308.901	4346082.573	4097519.054	5155560.249	5205340.383	4926139.833	3863101.98	4052312.435	3908664.884	4186549.363	3307449.569	3520601.322	4942493.251	3412242.958	3776191.403	4505199.73	3589169.83	2887154.141	4539811.223	31427.09204	4489074.778	4596571.779	3872787.248	43056.46575	4272922.473	4458342.591	4864331.099	25933.69461	4223786.466	3937453.385	4571659.412	32067.84841	4408106.51	3982069.955	4875639.414	26780.36243	4515916.14	4258668.526	4713464.849	14815.71237	4067711.417	4244503.118
TYROSINE_C9 H11 N O3_7.031	35270622.61	44831833.83	35462766.14	28397118.26	22525688.31	28588067.01	24376891.74	27250778.56	37091460.16	25009155.18	21572468.4	42890373.16	35545780.98	26002098.3	32871957.03	30422228.66	40354219.03	27567100.61	30376270.51	33937254.04	32730876.15	31771134.96	24401469.22	26474202.73	28730231.93	18941293.2	23169105.05	23059505.1	26406836.63	27170830.86	25351497.51	42656548.83	31126587.84	49143071.39	34269433.23	25514975.36	29717949.57	41296838.57	42636942.98	36850035.19	35100292.86	38547896.24	56237771.22	35080578.01	30796912.49	31886052.06	39812954.68	31961021.66	20169762.08	29313141.03	35377583.44	30756156.62	30232547.5	30077671.85	26650273.59	29580956.12	21701706.21	31211647.34	31367422.43	28563349.16	27545224.63	33284733.53	26814709.82	24949626.63	23556037.75	23823443.07	38959129.15	27222765	33736735.11	28051680.3	30527426.09	30051161.86	22329170.4	33007415.09	23653324.67	24817356.2	25822191.01	29591306.16	30554045.28	25652213.3	30790066.52	23317528.96	31127865.33	27598044.56	22186619.38	28612505.47	21320627.79	23309290.76	28819554.43	20293796.25	24148614.6	17727536.24	25889756.12	23428473.7	33278640.77	31096119.51	41418497.02	42202392.98	40001040.93	29654708.7	34473092.47	27585287.65	28822365.16	23863753.37	25454043.42	35644075.65	23717725.3	20726082.79	7567279.522	27164966.7	21637690.81	31399576.85	116168.2833	31306443.27	30356150.05	29944357.39	104656.1983	29226172.96	32745606.46	33296593.03	109110.1804	29228056.65	31097177.24	32121275.35	51414.89288	30635448.42	29057336.91	30924637.92	67762.26104	30483927.33	30166395.72	37753483.55	56317.59181	26918694.18	29214674.43
UROCANATE (Peak 1)_C6 H6 N2 O2_4.983	4075476.582	15830657.01	326192.216	336164.7852	1393627.515	1245401.229	1540119.892	402050.2301	2082160.413	326417.1062	406737.9249	1271640.755	1550563.764	1179862.821	606876.9121	339954.0657	3920602.114	854368.6988	191374.0979	787904.8275	129812918.8	1341490.483	1690759.658	669136.0225	5755816.657	625063.4615	515379.0859	853574.0785	3069538.498	271940.0494	856695.5768	733367.7928	12858155.01	355764.8156	1208674.819	968398.4679	1653546.955	871276.3843	405767.9658	494288.9627	752258.7804	938537.0247	10100990.77	13890975.2	236059.4664	211692.9534	2419732.701	1145067.024	562268.0689	5318887.113	428133.4921	2399584.227	447184.1803	2693686.175	1009516.217	1057101.044	188278.5916	1827065.868	263299.026	403213.0584	2113211.781	798686.1439	2844184.582	320738.4291	399936.5545	324547.303	14529502.43	2120031.711	5193337.346	2188605.441	831550.5968	87236.67956	907928.8879	796542.532	440465.8998	513150.0984	1108635.13	10325733.58	352058.2368	1699918.218	2301889.196	486991.6505	288051.7855	8623104.216	9340451.908	33299929.87	1887355.711	902332.1977	202768.834	734211.2796	617788.1313	730591.2457	2000793.734	222459.4038	819552.0873	13545018.07	1182639.399	315000.1124	1459744.997	1064616.741	2024928.357	2269281.425	4435837.671	304535.2908	362659.3452	1515542.384	828469.3247	379863.2701	1242522.016	801036.265	1566968.051	2061370.09	493812.5792	2054313.917	2011057.792	1922536.85	3421693.507	1972899.202	1859474.809	2087589.721	2294693.253	2236027.879	1857404.695	2091621.91	2524814.617	1967800.759	1858868.216	2025100.189	2347419.671	2106818.715	2022106.523	1998290.237	2167839.134	1867616.281	2070380.108
UROCANATE (Peak 2)_C6 H6 N2 O2_6.928	1778068.386	6277945.844	165393.6633	188277.5673	1008477.406	570439.2181	1149360.822	248688.4292	838200.5145	167660.6628	218074.4395	559726.6682	501587.5945	363939.8558	340491.4628	202248.3523	739378.0097	522698.913	167054.7222	387715.1608	21784647.25	735227.7756	981464.8567	312785.4148	1563808.819	330588.4232	384536.0072	416927.0807	1347746.282	146758.4395	277915.7534	294720.6928	1560027.661	297098.6725	386236.2743	237920.152	507098.2837	321356.1126	298402.7558	287898.5283	354359.5842	282031.0382	1860155.878	8791119.638	194880.9528	145306.4264	829844.8895	467818.4503	258537.1331	1589258.898	322284.0151	1010024.785	246547.487	834047.4485	339548.8441	402959.0643	141552.1992	929128.2701	204566.3753	302429.235	1226908.257	538450.5372	1372485.608	125602.7424	254521.7379	154767.9954	4609516.774	701658.8833	2127683.855	1659667.257	474924.9565	122473.7367	239974.0419	301993.2575	173041.7784	253256.3889	416935.0029	4287532.882	224136.2398	799086.3164	1621561.283	243880.1479	195408.8727	4621430.126	3318457.533	5956528.169	1079890.433	617269.499	165301.4376	417312.7658	251587.8816	263338.9078	1559544.327	160019.5007	597418.2999	5132015.175	570834.681	237835.5284	529619.6586	407863.227	738051.1799	824508.0541	1307339.313	207631.7124	189415.3583	700184.7608	498105.6766	264313.2464	3116302.004	368608.3133	1008469.787	906528.2068	418115.1515	836552.6503	825799.9493	776024.6011	1197895.562	956409.6026	809298.9802	824287.1458	1393642.844	1019245.42	877151.0371	767173.5771	1612966.674	859828.698	765948.506	782208.6956	1160569.731	956491.629	868892.7229	968289.1432	1098829.824	748201.1769	846401.7604