Compound nC18-13jan16-01 nC18-13jan16-02 nC18-13jan16-03 nC18-13jan16-04 nC18-13jan16-05 nC18-13jan16-06 nC18-13jan16-07 nC18-13jan16-08 nC18-13jan16-09 nC18-13jan16-10 nC18-13jan16-11 nC18-13jan16-12 nC18-13jan16-13 nC18-13jan16-14 nC18-13jan16-15 nC18-13jan16-16 nC18-13jan16-17 nC18-13jan16-18 nC18-13jan16-19 nC18-13jan16-20 nC18-13jan16-21 nC18-13jan16-22 nC18-13jan16-23 nC18-13jan16-24 nC18-13jan16-25 C29 H49 O9 2948604 1941928 2341107 5342532 997443 4.37E+07 3667731 6946980 2.10E+07 2565320 1 3024675 4595230 1566451 3725051 6138853 1.22E+07 5484390 4326340 3028069 3178068 3749951 2319926 2282616 2653713 C10 H16 N2 O8 6856696 1.36E+07 1.21E+07 5669282 1.29E+07 1.85E+07 1.37E+07 1.70E+07 2.72E+07 1.74E+07 1 5627440 1.59E+07 2.14E+07 1.37E+07 1.77E+07 1.22E+07 1 1.93E+07 7248396 2.13E+07 1.86E+07 1.82E+07 1 2.21E+07 C17 H3 N3 O6 1.19E+07 1.34E+07 1.21E+07 1.00E+07 1.32E+07 1.34E+07 1.25E+07 1.34E+07 1.51E+07 1.32E+07 1 1.49E+07 1.41E+07 1.33E+07 1.23E+07 1.36E+07 1.50E+07 28938 2.07E+07 1.24E+07 1.66E+07 1.61E+07 1.52E+07 25041 2.20E+07 L-Lactic acid 5704868 1.21E+07 1.58E+07 1.36E+07 7130002 8496314 9080096 1.39E+07 9409219 8990486 1 8546339 1.45E+07 7894395 1.30E+07 1.54E+07 2.01E+07 7291405 1.07E+07 8295346 1.51E+07 1.44E+07 1.51E+07 8670551 9126817 ?-D-Glucose 6033912 8410412 8379305 6615281 9909762 7556829 1.02E+07 7164892 8710979 8387114 1 6570075 7869818 9238006 9276498 1.43E+07 6007686 1.21E+07 7519131 8649826 1.31E+07 1.09E+07 8708622 1.03E+07 9074727 C31 H53 O9 298766 165201 247349 1559824 74929 2.23E+07 922925 1845411 5875267 567929 1 425178 939997 192074 733785 1991522 3670134 645253 957307 406768 374253 728727 296999 276471 286950 C12 H14 N O7 S 9835855 9900568 8482628 1.06E+07 6863013 8880620 9528589 9366394 3523046 9438601 1 6219296 6882019 9227886 9936136 6968598 7733040 1 1.10E+07 1.03E+07 4858034 7171354 9780225 1 6987816 C4 H2 O4 1.24E+07 1.22E+07 1.10E+07 1.27E+07 1.25E+07 1.19E+07 1.19E+07 1.18E+07 1.11E+07 1.20E+07 1.57E+07 1.11E+07 1.28E+07 1.15E+07 1.15E+07 1.23E+07 1.17E+07 1.42E+07 1.11E+07 1.15E+07 1.18E+07 1.18E+07 1.21E+07 1.26E+07 1.13E+07 C7 H8 O4 S 1.11E+07 1990300 2085343 431355 317920 7413887 4130502 732596 1769692 2603725 1 2168295 2409276 3609840 1151698 1504919 1143244 1069243 2438154 8526611 1352850 1589264 3517831 3974612 1944345 967.0078@2.5191426 90407 86377 1 1 1 3430513 207556 5793079 1115184 539462 4386550 1 1 4831758 1 1 1 150860 109018 1 902713 2046137 1 5143535 1 967.008@8.233001 1 1 1 199518 1 55961 284505 1 1 1 1760275 1 237956 1 1 1 1.23E+07 1 1 1 1 1 1 35092 1 glycodeoxycholic acid 29756 39252 78116 5259128 12654 19506 13256 103074 18096 28498 1 41436 109166 149291 1 61918 1 45128 50920 61500 1 82901 1 14653 133070 C18 H32 O3 1.05E+07 161258 2224015 2744969 47858 5793466 103115 3679871 1392970 191682 1 1093785 3390571 770195 977749 1494016 1739072 759462 2162169 979421 498117 1036233 285807 1452251 357193 C8 H9 N O4 1.23E+07 206983 54468 40371 73645 149570 72583 65415 191147 41527 1 38127 63996 86361 62225 105354 55129 29458 74397 69441 50787 55804 43277 25243 64422 C31 H51 O9 836208 282731 627837 2097069 265828 5911953 514610 1374029 2809025 447109 1 573369 805283 536618 664342 1148274 2711845 995394 716101 682295 483498 794213 447069 507918 583537 967.0084@8.316001 1 1 1 1 1 57962 311216 123737 1 1 1732113 567088 237956 1 1 1 5126198 714564 1 1 1 1 40978 1 1 C8 H2 N S2 4803452 6112560 5162600 5080127 4207331 5915781 5094484 5757105 5959030 5243856 1 4191119 5486981 5394413 5539814 5664164 4446673 1600068 5695589 4881429 5028501 4393332 5286172 1758192 5297207 C9 H2 N2 O5 S 5204330 5323408 5153926 5133272 5421645 5216550 5399492 5199661 5183449 5328516 81289 5289209 5305382 5293181 5122911 5309721 5103539 5519769 5014226 5164043 5198855 5184821 5031457 5757230 4800394 C8 H6 N6 S 2172571 3117918 3019750 2388559 3653536 2707079 3834118 2581030 3114051 3060009 1 2244437 2785725 3615816 3522754 5483505 2248177 4737363 2823861 3284866 4876793 4091567 3292956 3928209 3386055 C18 H32 O3 Esi-11.281999 1.05E+07 161258 2224392 2739046 47858 5793385 103161 3679870 1393172 191682 1 1094077 3390602 766727 974510 1494077 1739024 760537 2162099 979518 498117 1038925 285807 1452018 357193 C9 H4 N O10 S 3921292 4088023 3804856 3773111 4086070 3900962 4119600 3781848 3690102 4055975 1 3868732 3816415 3920525 3800321 4028320 3920254 4629847 3732086 3896458 3666964 3848056 3497138 4782602 3313684 C31 H19 N8 O27 S 386647 1 1102892 330408 1 1174660 720659 4481816 1429633 1136925 623361 1 1 286826 373286 212260 1598832 445285 651534 1243244 268674 1009054 689942 288771 563067 499.2949@8.098 1 19084 1 4239183 1 9791 1 37855 1 1 1 1 1 17153 1 28907 1 1 1 32741 1 1 1 1 28321 C9 H16 N O11 1087457 2498575 1969222 1023888 2011853 2970720 2243171 2636717 3801392 2948129 1 999622 2194983 3335322 2220025 2530700 1783455 1 2817787 1157496 2393841 2363621 2650430 1 2448267 3398341 3468067 3704633 3764969 3435293 3468193 3575199 3639795 3266938 3427930 1 3735690 3422098 3143074 3173772 3224018 3236443 4161839 2849550 3412792 3135232 3282282 3132722 4080974 2850446 967.0077@3.212 1 1 1 133742 118464 3717928 1 1 1 1 504013 1 1 1 185279 1 20071 1 417774 1340543 1 140382 5981447 2519391 72515 C4 H4 N2 O6 S 363871 355425 383381 407261 383801 358940 386515 381859 365077 399373 124437 404316 359234 402998 397063 433057 456814 3198330 445330 498328 453239 432818 471814 4216197 523296 183.0525@2.903 6365271 89747 1 1 13662 29937 1 1 96147 1 1 1 20885 23037 1 33059 1 1 1 1 1 1 1 1 1 C7 H6 O3 2281629 3172777 3605832 20886 40038 3649888 35639 21426 72672 109795 1 18585 38191 48624 14852 26992 21041 40663 38337 1487114 19574 31049 29789 17739 54215 C15 H2 O17 2211091 2285990 1949649 1942076 2173665 2079682 2258864 1834818 1726405 2218922 1 1929926 1834739 2231248 1906193 2220757 2230698 3361841 1994718 2202204 1798630 1977376 1614040 3459487 1412991 C14 H6 N2 O16 S2 1767862 1863754 1494641 1475110 1712371 1624097 1827584 1411679 1335417 1774590 1 1430179 1454644 1748453 1462305 1754932 1826928 3161854 1562363 1774194 1430657 1627818 1233106 3279642 1059297 C17 H6 N2 O18 S2 1468481 1547522 1194097 1192281 1437491 1332206 1529434 1089498 1044864 1494538 1 1141803 1146239 1470843 1183737 1479843 1552928 3002580 1290007 1496411 1127286 1347807 979840 3079001 842482 C14 H2 N4 O6 S2 2293766 2404917 2145382 2102413 2307436 2228891 2411705 2054128 2013357 2340467 23318 2110404 2074594 2324320 2057396 2297707 2316885 3150956 2119796 2307202 2009474 2164556 1862819 3244890 1704692 C3 H2 N2 O5 S2 1963597 1232350 1267049 1874012 1270238 1161604 1347088 1071394 429879 1211809 1 1441837 1010993 1483938 1541047 941117 1586522 2496040 1450150 2457415 759671 1422569 1344720 3169463 1191696 Lactic acid 852755 1131672 912992 841071 1127782 654564 1267338 698237 1037439 928253 88635 929715 755256 933236 1157383 2175131 384112 1076621 700197 833000 1229402 1071021 759420 984592 803734 C4 H6 N6 O4 358219 1334275 1874580 1468747 745828 813294 816452 1656686 926161 1007992 1 876749 1712151 952914 1614277 1878701 3331620 972519 1610884 980405 2529975 2267609 2697084 1181999 1390093 C5 H4 N4 O3 885237 1713237 517974 1562558 2027131 798352 2885963 1402530 2689722 971028 1 2159470 902945 1478039 1777058 812756 692110 1061061 1070826 2861985 1563471 2250674 1938888 1235825 2139910 967.0077@2.7371428 68810 85199 1 1 1 3457461 2955868 1 1585807 339860 1591244 1 600235 942884 88051 1 107840 1 109018 1 1 1 5751713 3105587 1 C6 H10 N3 O2 S 811013 1853276 2407137 2109597 1103820 1339713 1314340 2026020 1122924 1389195 1 1283514 1873294 1418567 2164574 2151683 3033316 1467477 2244721 1683939 2155191 2197714 2608584 1757858 1671928 C31 H49 O9 1457039 907500 1814159 1031327 940405 3334144 1284449 1764242 3068037 1340881 1 1040491 1176466 888360 950414 1160129 2470968 1990657 1481671 2275905 683302 1814669 1503860 1496916 1346608 C6 H6 O4 S 2786931 1786957 737794 1420078 651081 757579 2580844 338642 1573898 778743 1 166618 318145 2806097 34027 739239 299686 264896 1003247 1249345 326624 252138 275459 657739 793623 C29 H49 O9 Esi-11.4400015 266600 206722 120763 302357 99477 3245676 299044 592621 814061 168096 1 181994 235783 90792 300980 285329 527080 308239 236777 271251 287393 224100 127891 170160 172137 967.0077@10.875 1 1 1 46184 1 772569 1 1 720586 1 1884100 301555 1 1 1 1 1 1 1 121726 1 1 1 1 1 Esi-0.88400006 2279399 2344331 2526861 2525848 2313983 2291714 2398948 2439914 2196939 2301164 1 2480009 2280058 2103261 2117102 2183536 2171695 2773809 1933062 2284474 2134476 2219762 2123234 2776416 1931001 C30 H44 N6 O7 112465 10155 44011 356101 1 2504501 42156 314141 899492 46732 1 100384 111260 48716 156767 342951 840907 79326 231798 52657 34826 98144 30587 23682 26342 967.0076@12.752999 1 1 1 1 1 1501030 1 1 816401 1 1 1139057 448061 1 116537 1 474694 415627 1 1 1 1 1 127128 1 C20 H32 O3 618729 165288 726177 134291 28386 1995700 73292 428496 359460 116147 1 158188 484377 349990 143400 473312 1010521 321249 530304 125650 232638 237234 86482 284521 107842 C3 H4 N2 O5 S 107670 132158 133780 48339 139381 127144 138832 133681 136783 133657 111478 111600 138694 77202 137108 143282 135438 1386800 149577 59864 108038 89400 93244 2105644 158785 C5 H7 N O3 2042316 522862 1992829 437281 203074 1981324 365683 1319692 1458468 519710 1 837147 1607026 1322755 974947 1360894 1769478 933457 1394115 659334 929621 895309 726034 757920 407847 C8 H2 N O S 1140986 1826518 1446367 1338016 1313960 1625509 1430761 1410199 1566737 1504048 23169 1198498 1535665 1722851 1717576 1102717 1364081 250198 1681371 1191224 1278210 1421421 1474708 261212 1184000 232.0038@5.2070003 940905 68241 1 1 937529 14262 1 1 52263 46081 1 1 1 1 1 708630 960343 157768 1 241893 1841983 184180 1 9368 1 C6 H2 N2 O3 S 1820944 1809344 1864703 1880381 1914047 1814883 1916971 1816460 1838117 1852238 350521 1874820 1892899 1837077 1869592 1909095 1784351 1905539 1765779 1840503 1872682 1865697 1814982 2031378 1814659 C10 H6 O5 1279381 2002157 1836772 2050679 1613175 1643059 1725957 1874850 863042 1942217 1 1614541 1449252 1679623 2026240 1208350 1700207 1343544 2017268 1738553 884039 1385187 1871476 1676536 1284838 Esi-0.86700004 1655085 1946808 1944974 1893806 1715799 1918374 1863325 1924671 1743774 1892263 125704 1775847 1767234 1732257 1764251 1698721 1668245 1768773 1695961 1688266 1551903 1634835 1686757 1776686 1538779 C23 H2 N2 O20 S 674947 722456 545915 534098 641669 617031 678344 481111 465516 666166 1 513717 523334 679216 540599 671459 726900 1506276 595590 693590 529287 613393 444737 1558004 377974 Esi-0.8899999 928064 672114 633512 1013301 537597 569564 692410 589894 221327 668617 1 583265 474745 656619 782269 490089 698805 835799 788630 1171368 337807 607749 718009 1367986 523487 L-Glutamate 882820 1257399 1425864 1077303 299557 1346418 529804 1268704 1431623 1060271 1 1007204 1155442 1210306 1378245 1004993 1190012 1557403 1278883 553978 687047 1321663 1128004 1390351 1426461 C9 H5 N2 O4 972231 1479795 1403993 1542001 1187133 1276123 1318842 1405619 663143 1476626 1 1197709 1093163 1248274 1509982 913539 1241564 1011529 1490669 1264671 686938 1023416 1405779 1257573 971016 C14 H5 N3 O8 696426 793328 716660 590153 818870 776228 738146 816553 924456 809813 1 852771 852756 772764 716697 787290 876844 1 1229986 728662 1009595 992530 941585 1 1366979 806.9913@2.2509997 1 1 1 1 1 96310 1 208926 1 1 1 1 647626 796014 1 8641 31467 608447 77397 1 162570 781117 1 993289 1 C17 H26 O4 973180 997796 1091260 1027753 974927 994166 981208 1043934 1028296 1087122 802542 993518 1062353 1197217 996019 991521 1022043 1091856 1252887 1064088 1100359 1120745 1220972 1198101 1144334 C7 H2 N3 O4 S3 804908 478186 467742 751746 488581 464320 518067 390237 154541 439822 1 496125 357232 517958 567230 313175 465949 820645 514099 892646 242485 475279 469413 1263000 360106 967.0077@13.9726 68500 1 578306 280612 118219 301783 609670 76650 1 193223 1 662475 1514383 1 53473 1 1 129833 1 494485 1 87056 125477 1 1 C12 H16 O5 28080 92247 254141 46632 216314 1233938 678189 52977 672776 116867 1 208200 396982 241851 6865 55515 171181 7705 9850 52687 151702 65759 318150 88175 145113 C3 H4 N2 O3 S3 784051 472730 488112 740899 500015 472694 538010 425635 184005 478924 1 548309 380419 556345 601991 367891 623066 969285 553471 947210 307319 541719 516599 1283863 452098 C20 H2 N2 O17 S2 896481 953973 1043834 1016056 1041098 962756 987746 1005394 1019362 956420 1 1053621 1024292 1019710 1080101 1007779 985960 463077 1007403 991030 1064665 1043932 1010254 455925 1000547 C17 H2 N2 O15 S2 954317 986299 1130063 1122610 1114885 1044549 1059121 1129261 1157671 1027426 1 1188829 1147312 1062499 1127623 1083628 989185 439275 1039462 1023245 1171477 1105174 1144639 437351 1157586 C15 H2 O16 S 883236 926287 1102289 1076404 1042586 1001726 998733 1121120 1146734 955829 1 1173941 1100405 978613 1121822 1013247 922793 353758 997065 941418 1097461 1025099 1101204 339566 1173392 C23 H4 N O25 S 426271 450239 320654 319870 403523 373512 426697 292153 269037 421897 1 305576 308926 421128 320127 415294 465890 1039742 364141 433716 296269 369574 242950 1078388 207437 967.0077@13.395003:1 1 496880 218004 494581 1 2244992 1 1 1 234545 836253 155154 442612 1 130964 1 1704665 1 730551 801634 275725 326502 585706 1 1 > limit 1 1 1 25220 1 1150322 12349 39563 328221 1 1 1 19941 1 11446 28883 120574 27587 14313 1 9169 14381 1 1 1 C9 H12 N4 O10 294310 823373 636073 329983 602666 939045 713415 886238 1098930 982148 1 271031 674805 997116 669331 709135 520504 1 861442 332852 658028 702601 856450 1 595477 C31 H19 N8 O27 S Esi-4.012942 221685 359210 194230 467589 144067 144001 898964 1 1 281009 326128 1247481 1363303 1 89700 1 119119 390234 6077975 1 1933309 1 1 1 57106 806.9919@2.5200002 97153 1 1 1 1 33763 1 110289 67518 1 18599 1 1 266394 1 1 1 299689 1 1 72179 1 1 1545801 1 967.0077@16.046001 1 1 60731 66869 1 433333 1 1 360033 166651 1 1 204392 264688 1 771977 1 1 109580 1 1 1 1 36822 1 C28 H45 N6 O9 171109 119395 137737 319229 59561 1528169 226626 383560 976409 155455 1 176765 268823 93375 221389 342608 644682 323884 259431 184144 210516 236484 144340 136311 171402 C18 H34 O5 948442 23575 164602 294236 1 1133982 11094 336781 218855 29621 1 156105 246877 149559 113353 312971 324794 73137 484222 136119 58637 265605 57989 93236 47549 C8 H12 N2 O5 288767 484450 1044785 673267 287080 704438 351738 693981 727135 283841 1 545828 579865 503903 487709 363955 307779 1 464323 182637 521551 292120 924970 7962 561167 C25 H45 N5 O4 S 729863 911178 875277 902409 922625 802936 856091 884378 905907 856269 781916 828717 869647 961210 877665 922587 904787 1160663 1079958 922574 1068961 1058852 1009679 874810 1042188 967.0077@12.424 1 198113 1 88724 1 1403641 1 1 622203 1 510370 1 1 1 71285 1 1 1 91844 69950 1 1 1 1 1 C6 H6 O5 S 1026093 612249 424243 75463 148563 237211 408078 196633 466846 194474 1 60136 303575 208734 75115 181996 33781 86188 195599 299672 104008 396848 279160 115373 230204 C20 H32 O3 Esi-11.604002 1062115 1 608021 119160 1 449639 1 234056 68348 19455 1 78450 663244 41462 74207 228306 227567 86000 190079 123591 112822 85947 27103 148296 41950 C4 H4 N3 O4 472978 957079 1149462 938555 646404 709416 750552 1057222 787222 764569 1 705413 1065782 753264 1013285 1085250 1372634 621376 1050207 822939 1315723 1264525 1368429 734698 993949 C4 H8 O3 168710 236775 420380 313536 746926 196166 451800 149367 424325 489050 110625 479282 302200 412503 511033 335726 1001157 1483458 475050 222537 184836 276742 433071 316978 249230 967.0076@12.487 1 72937 1 1 1 1570188 1865662 1 556470 1 526229 1 484996 1 1 133770 1 1 135685 80848 1 236953 1 127102 1 C8 H4 N O7 S2 460484 806700 554310 513257 437042 707087 563160 634580 710044 615583 1 376363 646934 680595 693176 518983 459199 29099 762356 486898 543439 517943 648075 31236 551728 967.0077@11.317 1 1 1 48537 1 1232069 1 78473 1 346591 1 77656 441053 1 1 130997 463196 77022 1 1 1 1 1 1 1 806.9917@8.212999 13666 40849 1 16948 1 27244 1 1 1 30559 1 22526 1 23058 1 58299 1099452 20050 41830 1 1 1 1 8071 1 378.2798@13.333 14920 1 1 1 1 156255 14977 1 112775 32395 815691 1 27841 1 39830 15125 14846 1 16346 33721 1 1 1 1 1 C11 H2 N4 O3 S3 516244 524272 698455 694179 624255 596831 573182 750535 764832 565070 1 770045 715400 582629 717310 608222 533812 146015 615814 553704 720479 633284 770649 142461 864661 C24 H10 O25 S3 261165 274150 191153 191182 236938 221129 264245 163419 155220 251789 1 172164 177674 247910 178335 244679 279067 715703 205265 250571 170636 216653 138072 756181 112557 C33 H49 O9 348044 533346 752560 132414 314820 968584 264880 330608 509090 362340 1 294488 435995 217489 257406 449349 594192 642472 540754 593919 355950 476692 344131 528544 350449 C30 H46 N11 O3 S 738248 167678 180292 26650 21255 611433 407688 56315 153267 240258 1 217632 216548 445330 116206 159752 122307 133352 302522 829234 166798 190223 458539 496519 245161 C8 H4 N O6 S3 547043 833556 598187 588145 418567 757166 568015 723889 775470 625446 1 409706 664609 670539 677229 735281 463158 67719 718549 557665 587097 452383 638474 75408 645304 Hippuric acid 262049 794477 108048 21157 66263 38016 158626 19956 112205 39110 1 1 199288 122725 1 114026 32298 14860 32239 67069 14314 36926 69679 33952 18121 C13 H2 O4 S4 511988 388555 353263 558300 304380 321626 396917 337780 126990 372446 1 335242 281782 372083 432664 276276 402175 474770 450880 642685 207416 345518 420972 763986 297241 Esi-13.541003 167728 326175 164368 97566 93441 528063 231842 278384 312247 482658 1 586904 114466 99675 141462 115321 414889 399323 217237 536431 207266 546089 148958 355644 82872 C20 H4 N O22 S2 597991 606851 644617 639747 656351 624492 638618 615775 616487 634226 1 687062 619005 672429 666713 661063 663422 329946 661371 634446 652738 653148 617673 327391 604762 C6 H2 O6 S2 484138 328585 328754 492704 328569 335259 351360 289830 113034 320032 65684 327771 242159 365062 385480 220095 312333 506324 378116 540227 160929 313605 326217 748941 254731 C12 H22 N3 O8 S 127903 224324 201829 126782 309321 189331 307286 149899 278797 219184 1 140546 203319 302917 286539 772057 122398 390145 192743 217597 665743 433235 250594 249778 309724 C42 H13 N4 O4 192335 310682 257785 127181 332514 417956 312400 384072 657830 398280 1 198611 400565 433081 304318 432759 312752 1 586494 184493 561599 479711 403459 1 764654 967.008@5.3292136 1 1 499373 1 434713 590974 529581 91053 255988 1 1 897037 479427 1 172490 1 437196 1 515038 789401 1 23126 273275 1 1 C18 H30 O3 694534 15588 136875 307914 25884 703030 11984 285269 179198 28532 1 104073 278157 79642 91305 173154 235689 84926 227675 97284 50036 123219 36291 147078 38065 C20 H32 O2 13654 1 41711 22342 1 662253 11937 33377 139361 12077 1 6503 28231 1 12991 35076 191440 18091 26977 1 11363 13451 8006 6883 1 C7 H6 O4 251624 337729 83163 150228 102602 805434 310147 54408 281549 51622 1 43283 124519 75890 16069 109192 30713 43539 266879 269268 28182 62274 123519 47340 116006 C20 H32 O4 472859 133649 395868 469960 21276 642965 37664 565821 310540 119076 1 289252 324100 377689 244581 492225 686685 682117 467689 202769 244506 310393 88743 428381 133996 C22 H32 O3 216156 41939 219815 48071 1 321184 38621 69115 97815 31149 1 39045 705146 31899 55570 62901 113221 15056 58580 98505 94629 72429 70654 94711 46932 967.008@16.08 1 1 1 66497 1 397584 1 1 379343 219812 1 1 1 1 1 771977 1329036 1 187722 1 484131 1 1 36822 1 C12 H2 O14 S 515387 519845 651401 642434 610324 582024 569900 673939 690955 550361 1 714039 674541 593388 672270 595013 528448 170774 590687 553813 675500 615227 700362 172095 746480 C20 H32 O3 Esi-11.386001 701918 33667 505264 79974 1 412022 1 184224 43555 13761 1 58215 493167 44768 53121 151346 142958 62492 178716 85385 78927 67190 21427 124333 29019 C19 H N O10 401557 544973 479811 415074 529770 491688 497206 517996 498000 508116 1 632428 512173 452479 437304 495176 481291 1 682323 441085 503436 509905 493005 1 631350 C22 H32 O2 1 1 18871 12734 1 582816 29221 12500 447584 19465 1 7362 38759 6488 8137 12595 82226 10827 14961 1 18692 12811 24244 1 9335 C11 H12 N2 O2 185938 576715 410999 581244 364858 416529 444860 511066 563064 361758 1 282188 418993 556283 367731 322418 285451 664233 413792 344203 553615 524536 516587 544578 496421 C8 H4 N6 O 149178 487731 257941 267022 455223 356455 191068 328818 448738 157348 1 258626 386481 193549 453236 378239 336158 265191 419651 319238 715374 462470 198597 375913 380248 Esi-0.88299996 449656 506434 486466 503012 451611 447859 497028 461201 392423 467867 1 480539 409662 461168 419468 459449 482464 760776 411160 498821 387646 435437 384959 744037 346411 C16 H32 O3 1 1 15771 71783 1 668621 16144 39024 159292 10397 1 9648 16429 12034 20894 20132 42134 17946 20419 1 1 12117 1 1 1 967.008@13.624279 126553 1 877937 159146 816080 1907795 578259 1 1 775276 352404 1 446172 1 84661 127535 1641909 1 381178 751651 286057 1 891129 179028 572180 967.0075@11.307 1 1 1 242048 1 1441130 1 1 1 301136 1 77168 436554 1 1 117273 441015 67208 1 1 1 1 1 1 1 C5 H10 O3 63734 107586 211551 313108 134146 129904 184907 180842 141679 162853 1 212440 128412 188339 184429 272536 92942 717200 148240 172970 221701 209733 362043 233969 215345 C37 H13 N2 O11 672947 504594 411077 546221 400483 465219 489370 462458 205470 482824 1 513539 392621 416575 485232 386962 462209 1 692939 576648 285725 400210 461997 1 490792 C7 H8 O5 S 210859 132966 53697 10870 18139 654728 78139 23569 52903 143100 1 40640 69632 242219 20693 27052 13303 11752 35057 133643 16859 37656 94722 68542 152162 C25 H37 N8 O2 S 14380 25333 43319 694503 21118 16384 1 1 22989 46734 1 40929 65705 46247 42062 34526 33871 35140 44460 108719 1 19623 55036 28475 10718 C3 H13 Cl2 N7 S 214173 663767 566294 676312 509453 495680 499904 654323 197212 691819 1 639071 427504 456388 731877 288056 623495 479501 660994 477932 187128 410515 602283 601421 350401 C8 H7 N O4 S 648017 100937 212308 38195 23591 321099 237355 60745 57855 96596 1 75455 98573 305388 23785 89317 61791 21348 55389 209338 52885 157908 215834 161160 131743 C7 H8 N4 O2 423705 675662 234558 55012 1 101591 267786 170403 203312 1 1 193051 42595 1 1 190436 143806 76832 283086 88582 153602 252404 35079 259121 92322 C39 H11 N6 O6 256983 402927 332327 178766 399564 489110 379439 459860 642595 461239 1 270936 451663 476765 352691 472223 371712 1 663241 257116 561547 515788 473001 1 691131 C6 H4 N O7 S2 360818 351733 506973 515268 444441 426822 400447 548797 573276 398676 1 572307 529293 403196 518614 423121 358841 77556 436015 389331 535140 458891 594360 83164 672406 C18 H30 O3 Esi-11.615998 432894 7973 97323 251792 1 587978 11984 310765 293943 28190 1 112259 204300 110964 104403 206060 330913 77293 167499 78374 46934 107165 31735 122060 42226 C20 H32 O3 Esi-11.503999 952121 32058 446546 103449 7313 503587 11458 221931 63138 16711 1 72498 466081 44605 76642 215875 176803 58088 181499 99044 74797 69803 18238 148024 37846 967.0079@2.1526668 1 1 1 97114 1 210820 1 250777 1 893024 1 1 1 4071462 1 1 1 828091 1 1 970058 4661898 1 1 5906959 Isocitric acid 205865 354534 276132 418222 285151 274831 486760 426067 643091 647466 1 147585 373418 306901 452988 333024 226528 1 393477 343272 357012 389419 654172 1 346697 C5 H10 O6 590132 52798 216905 81534 37027 652001 54520 376164 344748 52882 1 53960 175313 183985 56496 417509 183144 60655 233616 115790 108653 108239 64076 45757 78422 Esi-13.278583 1 63227 315083 127795 177813 716135 262485 597143 675315 548251 492812 254418 207921 254591 290723 306285 455375 318250 349959 330712 362359 212687 263912 291540 209522 C5 H9 N5 O S 205868 441270 557253 499061 289528 340751 326680 481967 290706 346236 1 304981 459144 333880 496254 489760 670725 358205 512482 405855 547175 546861 640326 402680 401966 C26 H36 N10 274724 404502 393573 423157 435627 303188 341709 406268 390770 354559 406390 373794 378352 398721 399820 394446 444254 542969 449700 323449 467682 470030 387833 386698 447690 C12 H2 O5 S 54305 68043 57268 61389 57033 63597 63263 67524 62679 60892 1 57271 58672 61666 67149 68741 57352 434167 65002 61364 65267 59830 65435 556384 69461 967.0079@2.93575 1 1 1 74817 69121 2001463 935151 1 1133605 1 379737 1 625317 5250178 68449 1 1 1 1431222 1 1 1 5751713 1893263 1 C25 H2 N4 O18 S3 435447 450590 454646 452353 479755 447053 465692 441137 436020 458623 1 471312 457680 480345 477169 483583 480813 247871 469983 483021 477939 484292 438024 245308 417874 Esi-0.88500017 224423 188308 164772 237098 150975 146553 176233 158618 61898 184864 23851 154259 132363 173610 191408 129847 177037 217154 204955 250725 89030 165964 183140 304062 136388 806.9916@8.384 1 1 1 1 27777 28122 1 1 43729 1 1 44377 1 1 1 1 1 21426 1 8986 1 42925 1 7325 1 C20 H34 O3 359177 19706 316074 88780 1 465466 1 170841 41995 1 1 32803 216726 33796 37439 200626 199245 44249 94448 59390 79119 85548 11094 122644 50231 Esi-0.86700004 :1 521379 592138 610489 584769 537211 603588 593832 582427 549181 588043 1 539884 566586 508312 526337 515566 492646 550287 518005 512514 486302 520557 540422 566558 480592 C12 H2 O3 S3 350306 214600 211944 337661 225579 219208 234060 179318 70033 205619 1 233544 154570 245068 255227 141633 207934 360932 234693 389320 102983 208658 216490 535502 175839 Esi-0.8419998 258733 265525 405352 386797 340199 324936 297846 418964 447128 286280 1 460285 413861 324835 428871 327565 281373 34569 359100 302707 445830 364582 471936 33459 542151 C10 H6 O5 Esi-0.9470003 1279381 2002157 1836772 2050679 1613304 1641777 1725957 1875164 863042 1942217 1 1614541 1449252 1678062 2026240 1208350 1701474 1343544 2017268 1738553 884039 1385187 1871476 1676536 1284838 605.3225@5.421 24775 9340 112234 1 1 399363 1 76901 1 1 1 13547 244344 34575 6423 40902 108972 1 51026 30520 79359 146248 1 1 1 C18 H8 N2 O18 S2 258277 276517 211309 218441 261881 240220 273083 201223 196779 268338 1 207594 211261 272219 217417 271230 282452 518657 233897 265539 210767 241525 182064 525223 147753 C20 H32 O4 Esi-9.591999 722334 74271 270540 283584 1 442861 1 459582 117327 34718 1 183775 346688 100273 161229 330999 233601 180850 404270 219454 148595 147102 31521 304603 62710 C5 H4 O7 S2 453717 568937 551650 502188 509491 534935 541415 540388 504049 539878 1 490867 496275 491043 482825 497975 461431 524103 486243 460585 462215 483874 489060 522684 408143 C17 H26 N3 O4 S 90814 111696 134252 29654 68405 326602 79450 87725 452370 318283 1 264533 65689 93321 441730 14741 190844 448901 253989 15782 137908 78976 294269 169079 155559 C21 H24 N10 O10 S 188782 295560 222951 150720 194768 354646 278153 333714 202011 351063 1 103336 236517 412321 295614 281313 193894 1 438051 177064 205975 256926 320140 1 306541 Esi-0.84300023 222773 240352 363325 374387 306758 306165 271817 411062 427095 264711 1 426155 386948 288561 394233 294264 245687 29766 318591 265732 410964 336184 455723 28368 519416 967.0078@8.475999 1 1 1 1 48593 58649 1 120298 1 239111 1 700374 1 1 1 1 5104236 1 1 1 1 56348 1 1 141843 527.3576@12.134002 34224 1 1 254796 1 865330 1 141041 351473 1 1 28358 57306 1 1 72920 143968 43556 43952 1 1 37386 1 1 1 C27 H10 O27 S3 131262 144815 94100 90929 127501 116491 140395 83159 74875 133457 1 86229 84463 131441 92816 134528 150416 450971 110254 130679 83561 106822 67248 464330 48882 C18 H26 N10 O14 55343 170516 128685 35627 134660 259501 159935 222908 453147 251497 1 38990 185842 321443 159713 218660 123429 1 289471 57141 265050 228325 247022 1 276672 967.008@4.468 331117 1 1 255795 1 166739 1 1 1 1 1 3493603 1 1 1 1144409 1 3534027 1 1 1 1 1 1 1 C8 H4 O5 S2 426443 528448 460433 448675 359304 511130 450169 510175 505151 471127 1 394379 464332 495121 489463 506132 391290 152441 508920 431722 413214 369772 457897 165924 458610 Esi-0.9080002 137123 91249 256987 367855 104889 211752 125518 219433 306301 137574 1 352837 255947 186438 346812 160159 241745 363781 166155 181601 295752 133581 362019 345298 438361 C32 H51 N3 O10 1 1 1 130590 1 1988852 82318 191613 497368 44117 1 1 83666 1 72118 206995 376482 59972 92702 1 1 70569 1 1 1 C31 H49 O10 161186 15486 151517 268983 1 315676 8131 532060 322218 27381 1 147812 130604 292121 86518 154459 390946 257625 324937 62706 48782 131107 48423 110236 40629 C3 H4 N6 O3 109552 190083 329144 90606 378334 152709 309692 121435 303262 280210 1 312573 181409 306278 330244 158982 482097 616699 429348 137044 174471 185505 371486 135631 212435 C31 H56 N6 O5 S 273375 339955 338514 350086 349124 317810 350320 356795 345820 348352 319187 336501 345859 403311 327259 360576 381990 520303 468371 408308 460690 457621 447634 413828 438741 C18 H24 N7 S 32114 37020 54030 1 93865 171483 13079 1 433169 63273 1 137701 40715 30814 66324 1 28957 146905 200781 240376 49057 85353 76839 11652 42889 C25 H46 N4 O6 301690 412831 414452 439067 458728 331489 351669 440115 405130 380465 437984 383922 415726 425897 404606 430332 452657 569557 475835 337181 494848 515110 435621 414321 484116 C7 H14 O7 146216 335344 187224 235040 332658 236792 121439 228674 252128 102058 1 228419 265844 125280 322537 245406 243819 367395 246947 230015 453918 284317 121963 501791 196394 C9 H16 O4 233605 70360 137673 507639 39529 460632 48492 203069 210680 60634 30706 158371 135433 123006 124225 178998 189724 130708 168083 114979 83857 160131 111374 76593 95009 Esi-0.8926088 580521 184971 189582 208799 181715 203960 235804 242302 169702 218216 81331 129985 289400 121461 193248 183650 250928 1 166483 210559 154200 158423 150010 1 134051 C3 H6 O4 394507 380657 462920 516746 323631 599082 328893 454146 581231 365196 1 327739 516171 483605 449450 496181 396484 361354 426407 338068 317361 432620 402730 334679 307508 217.9418@0.692 1 1 1 1 1 536917 1 1 1 1 3732841 577439 1 1 1 1 1186692 1 1 1 1 1 1 1 1 C7 H8 O7 312277 560826 464884 535381 504109 412141 496866 490252 219591 537025 1 437791 368938 420520 534888 293921 458154 351689 508850 494005 238055 348536 490677 422055 317982 C8 H4 O2 209731 248479 240180 291656 167158 237538 201882 254573 119060 248586 1 182636 204192 256373 286267 146025 250411 189070 316226 289143 105446 198058 282525 259614 170954 Lactic acid Esi-0.9300001 913351 1179665 908482 814622 1087985 103914 1257992 671429 1037439 934274 1 934507 875406 174747 1157383 2171265 93314 1076621 150590 833000 209270 1100658 145153 984592 134544 Esi-0.8419998 :1 235986 234150 343317 340744 307334 288311 272559 364178 376910 268331 1 386191 347148 293884 365192 297122 260147 45538 313654 277686 391058 323657 392055 36106 449232 C9 H11 N O3 95145 246373 164211 482875 190056 144397 234247 176376 185236 157071 1 119954 161324 251774 141047 196462 138243 241898 224991 194106 200341 177365 263862 222300 217061 1613.9803@2.5860002 1 1 1 1 1 12342 1 1 39716 1 4555 1 1 42186 1 1 1 1 1 18803 1 1 33250 482259 1 C8 H4 O9 S2 388675 486989 437204 406690 387840 436966 441583 415064 387677 429805 1 396260 394482 445124 405089 418981 395229 491857 398224 393544 349907 389029 370197 482785 314336 C27 H46 O4 S 7239 1 1 322886 1 491013 87167 75173 266879 40542 1 14715 21106 9239 22925 22196 165049 45513 32333 14695 9254 30666 27828 10069 16135 C17 H2 N3 O18 242900 273618 228885 226393 258768 236162 263401 207814 200290 261941 1 213455 217917 261918 215249 265318 266649 452065 231455 245516 207169 238507 186299 463401 157183 C17 H8 O14 S2 8218 36671 325044 119870 49171 75612 102916 122914 115615 163724 1 225450 139200 35894 98525 50383 114866 287480 82739 76846 97584 195472 445150 233744 223705 967.0077@13.395003:2 1 395919 1 359926 1 1952063 1 1 1 239606 836253 1 426554 1 130964 1 1730285 1 476734 587672 297190 104980 314495 1 1 C6 H6 O7 479319 91042 95583 19964 14418 311525 176183 33532 79325 114693 1 104174 103033 173496 58305 70671 54796 48516 113226 370450 62279 70071 149001 174076 86860 C22 H25 N10 O13 S 311203 328949 251934 204461 261439 227917 364182 180579 240602 232562 1 279083 230598 267156 262680 254265 218858 315616 415163 452282 360443 419300 400856 316937 356429 C18 H32 O4 417815 1 60037 127983 1 430804 1 145239 65523 1 1 41258 105596 57899 32030 92269 111327 19657 182598 33236 16179 61236 12673 39676 11007 Esi-0.88299996 :1 281541 327543 317095 330433 287885 289188 319600 292018 244083 298042 1 314321 259158 295664 267098 296918 321413 486628 264511 322587 235203 266956 233144 463610 215491 967.0078@3.4010005 1 383338 147654 1 1 167299 1 1 1 1 499796 1 422573 1 237155 1 1 1 1 683943 1 82548 1 1 1 C20 H6 O8 320847 401736 355523 427776 284619 359001 372628 395777 191221 383992 1 251799 269134 333965 372117 266658 283499 1 358624 385211 183350 257239 366966 1 211587 C16 H4 O17 277335 321961 268749 264350 299510 287716 313867 273825 272748 315817 1 255497 257900 317842 267176 302241 299109 428653 282120 277076 249019 269792 243288 436653 207625 C15 H2 N2 S2 176333 352368 233687 209840 224221 298016 253462 252834 289438 287348 1 160684 283181 316905 320151 161382 226601 9368 360550 194431 231331 288357 321021 12404 219693 C20 H32 O3 Esi-11.757001 994786 137581 893036 569031 17803 3363385 82035 671277 459545 128673 1 279456 730867 429481 280520 589989 1132982 426772 662796 155757 276196 361145 114406 490896 156117 230.0612@7.1559987 1 10846 13691 1 15182 24075 1 82957 153146 405740 1 1 9852 1 1 15435 1 12931 121180 1 1 1 18862 1 17105 C10 H12 N2 O5 33475 30164 233078 26062 54868 33050 186893 101193 144927 31219 1 75327 154027 317866 85815 175071 32319 66006 298146 65825 158560 93483 207069 255699 416145 C25 H4 N3 O23 S3 365006 379550 371161 370699 404034 373669 398858 353022 353439 383207 1 382110 366128 407903 373940 403124 402088 211187 368561 398309 368184 397932 339292 211762 313759 Esi-0.88299996 :2 275011 310128 289669 298533 263838 269618 292909 267012 223410 273339 1 292987 253475 284160 262439 282625 294488 461546 243037 306895 235878 261613 228630 428331 199527 C31 H19 N8 O27 S Esi-12.947002 134890 1170265 1 136645 1 1580918 1 1 788063 1034706 1 1 517926 383361 166672 1 1624376 260246 541925 2153058 1 1068833 1 334472 1372913 C33 H51 O9 105411 71150 128506 46308 45059 519282 65807 140590 156156 45758 1 62722 130881 65840 74230 94909 128403 162771 125657 148726 62646 99065 94559 90478 123107 C7 H14 O8 202326 278606 230781 217578 298410 219877 311848 170766 235780 249772 1 243249 200701 256289 301602 510137 117634 281788 148869 206814 355007 215035 152239 245834 222038 C3 H2 N4 O S2 313889 273206 233569 316686 238942 247264 269286 241484 102777 270213 136446 218456 202084 272102 279941 174620 211114 332181 298022 335119 132662 231228 278232 408516 215781 C22 H32 O3 Esi-11.253002 145992 7774 120550 25242 1 164582 7269 36371 46646 1 1 16779 366833 16873 9060 27579 53800 9216 25864 18665 46051 14563 13362 19147 8236 Esi-7.858999 20748 98359 89090 52050 40538 64712 415852 75246 90911 57838 1 54898 81936 142469 87928 35641 101183 136857 37544 92835 20569 129065 158871 85329 73201 Threonate 393693 197069 257436 192980 132929 426540 198660 244807 400895 125918 1 109488 268355 155996 165524 362324 161569 75616 181894 172597 241056 222087 173883 66616 159712 C15 H13 Cl3 N2 S5 160279 163425 274013 273186 227488 217053 193211 298021 327034 189322 1 316278 292672 199354 285583 206959 172905 20972 228628 188552 303319 245302 342257 18376 412442 Esi-0.88400006 :1 353279 364422 388551 386441 367815 349778 373465 375071 344448 358230 1 397077 349025 371356 347244 367633 351857 444150 313973 367897 339768 349757 330921 430614 304311 967.0079@15.869332 124345 1 485801 93239 1 280985 1 163769 1 1 1 1 216714 341607 1 1 1 1 108967 112085 1 1 1 1 1 C33 H50 N S 74911 77471 167408 351118 67981 487531 300717 242636 603729 222032 34261 120425 180544 72934 256634 164113 557090 252973 270070 65926 84935 141832 159258 75494 70882 C9 H4 O3 261540 398815 365560 397746 314532 340101 337850 392135 182072 391733 1 337929 295015 351764 418929 259515 362938 281125 433045 362887 194055 298603 396462 328632 292041 C21 H34 O5 S 1 31124 19595 31818 23402 26407 11164 55018 66568 51856 1 30127 12775 18565 331874 1 16366 49627 43250 9154 44919 24622 54918 36400 17271 C7 H3 N2 O 179830 212501 202815 228423 146852 179741 173241 200429 84958 201045 1 142608 155997 202221 232575 123083 199221 177262 249863 240142 97170 165468 235134 227984 147034 C12 H12 N O10 74699 194508 214605 102948 175443 276434 186118 311555 423597 244318 1 100220 233137 264175 233492 205915 124579 1 265473 88143 249815 213921 335193 1 316696 C6 H2 N O4 S3 19402 97127 78637 45876 41599 60818 394232 69837 89347 55655 1 57999 81496 132619 86346 31459 96180 119923 37773 86433 18617 120404 155144 80408 71000 C17 H6 O2 148406 243808 227257 176375 257721 194600 274163 191921 224502 226109 1 146432 196248 240072 258168 365428 140178 346604 193866 220565 324090 273779 236639 297571 217973 C7 H10 N4 O3 369922 73165 83003 1 1 25158 83137 45004 25934 1 1 32912 13387 1 1 51368 40687 9519 75919 115940 24329 49856 11478 47098 87306 Esi-0.8419998 :2 188734 199402 275138 279867 254579 226916 225571 294794 304322 219817 1 305653 290671 236311 296042 243040 216092 41805 256861 228643 309914 266369 318978 36405 353772 C6 H12 O7 389973 82388 96486 77759 69203 201074 96298 83915 128943 86372 1 41324 103499 129441 84161 131400 86002 37509 91121 149560 163399 111800 77615 49763 125968 13C6-phe 230820 250076 224859 245875 231032 236978 249722 249768 384490 238736 1 225065 241356 253859 244629 237173 246482 395791 332732 309907 295964 334990 331378 533962 329751 C28 H8 N3 O28 S3 78667 85899 54354 50777 71770 69483 78809 47460 38110 76458 1 49028 48220 77822 53828 73457 85575 301925 59038 76002 46839 64328 37787 324137 28365 Esi-13.244 166584 81498 46420 75514 59847 31329 26767 269456 91450 1 24245 1 1 73379 92224 91117 59627 55230 117023 36396 64171 57367 114837 66600 88490 967.0079@2.614688 71998 59033 1 1 1 3555154 198923 5647093 914071 321822 1693457 1 611381 1470762 1 1 106917 326572 109018 1 892919 2026283 1 5187847 1 C27 H24 N3 O15 152699 259364 197733 148887 166850 277877 241002 276516 134799 285478 1 87063 181929 305639 243520 198187 178486 1 319366 164220 136693 193438 265026 1 187586 C18 H32 O4 Esi-10.315999 360296 1 52181 66633 1 341401 1 111317 59696 1 1 25263 84197 47655 24211 74002 97089 21651 163087 27704 10526 57571 15463 19840 11342 C13 H16 N2 O4 344003 61314 62288 30787 27751 222406 155048 8549 25501 76158 1 42906 40022 163784 28516 64019 47542 11533 52066 233502 27897 33116 104234 76666 65775 Esi-0.92399985 758039 600773 246134 281791 434167 164913 437475 239279 286682 219750 1 241723 274481 253601 272520 296780 607845 656083 520630 343394 387763 258380 221858 458757 500640 C27 H45 O7 26705 16623 20376 45200 1 354247 30517 59279 173952 21759 1 25929 39947 1 31311 53339 106797 49225 34686 29719 29331 35339 21367 21179 25447 C25 H46 N7 O3 38321 36499 55825 111917 38493 335599 150311 107305 274320 112929 51408 57879 101937 85292 90442 80942 176109 132482 100280 53320 69644 69971 57519 44758 60333 967.0081@13.209 631926 232657 1 1 1 537760 1060507 4473502 1589294 239606 836444 1 1 1 1 1 1 304061 1 99602 294127 267417 316991 89043 1 C20 H34 O3 Esi-11.709 500190 19706 316074 129253 1 545152 1 262049 65568 1 1 47778 192356 53224 59842 200602 199245 66255 135856 59390 79119 85548 31218 122627 50231 C3 H2 N2 S2 235438 239268 331216 335618 286293 281638 253519 348601 371239 260249 1 348890 343183 247909 318609 262800 223196 58080 259749 236466 347745 291656 375345 56876 429808 C13 H6 N3 O9 146406 335522 311307 293636 147514 338282 323008 306520 336242 118307 1 142280 221992 336633 312727 349133 353288 1 322181 303962 327184 279358 115599 1 350715 C12 H16 O6 1 25599 45839 1 55448 92858 240296 38592 324917 61502 1 30150 78911 185292 7792 15930 43269 1 8042 9794 46031 42139 145511 26139 30900 C28 H40 N6 O7 30598 1 16338 69040 1 355457 1 64167 109134 1 1 13963 39081 11856 35403 42650 60258 16798 65990 14868 1 14042 8044 8014 13534 C7 H14 O3 100334 13477 65465 112657 1 356430 1 122783 122437 21433 1 65442 72391 94043 38846 127248 187032 68911 130401 33538 24186 75957 30998 29139 30081 569.368@12.497 18343 1 1 1 1 1094351 51733 1 1 1 1 1 1 1 1 1 104396 1 1 1 1 1 1 1 1 C3 H2 N O4 260271 357896 301424 288592 297684 332917 308985 313749 324652 299732 63349 272222 311792 298670 321569 253676 278162 135100 320255 261196 280302 304881 288913 147392 260868 C6 H12 N3 O3 S 63864 130481 101101 86562 164538 74563 173858 112988 131354 128098 1 103337 94216 145639 130834 445817 75367 187709 88214 105472 188240 153519 138064 170835 101250 206.0191@5.83 266415 300747 339074 1 1 347690 1 1 11339 16558 1 1 1 1 1 1 1 1 1 212402 1 1 1 1 8236 C20 H32 O4 Esi-9.921001 165676 40533 166785 179376 21276 345234 9190 230086 147636 42145 1 118444 133527 203001 100725 235426 310414 267938 218945 72305 80811 134123 37670 169455 51970 C29 H44 N7 O12 19934 52175 38887 106792 52046 336102 110918 87842 325292 65508 1 38773 43770 39015 77359 70881 134856 89420 77960 41417 84177 73855 84421 36324 69633 C9 H7 N O 133792 50612 78679 82572 35293 337272 45152 75058 90916 31177 1 37691 93883 107557 33096 80149 113995 65501 98445 42905 30180 69858 53130 60270 76499 C33 H50 N S Esi-13.627999 44695 37145 64715 197931 36588 246695 194593 176669 254414 175515 1 157421 93510 43802 163506 221752 393835 167728 184489 141089 126133 150892 212612 64576 115581 Esi-0.88800025 217119 232937 243611 245758 225524 212244 239904 208864 186813 219957 1 247428 206258 219760 212362 229077 224114 348296 179020 241224 195976 209319 184597 342287 173695 ?-D-Glucose Esi-0.9099999 6034491 8399788 8379305 144446 9909988 7556829 1.02E+07 7164892 8710979 9369 1 6570075 7869818 9518827 9276498 1.43E+07 148052 1.21E+07 7519131 8649826 1.31E+07 1.09E+07 349341 1.03E+07 9074727 C36 H13 N O14 297385 263464 217008 296258 197016 210721 252276 226865 86655 226755 1 272698 181732 192890 236940 194507 225544 1 310509 309746 133388 191591 218804 6656 201567 C32 H47 N11 O 203622 256150 257800 260001 266876 248956 253306 254206 258041 254335 246112 250652 263350 291157 248085 261416 282507 367021 322434 301211 327645 327937 316427 306115 305798 C24 H4 N2 O20 S 136380 156018 113964 112944 132613 126992 145204 103267 97089 149233 1 104929 110344 146717 113855 143486 157071 307206 122752 139307 99075 123163 87655 305288 78246 C14 H38 N9 O10 14652 100774 126948 25587 88112 130636 108862 128366 62150 58034 1 56513 121079 165729 106612 122519 143054 207406 193558 136408 130371 225037 248126 195813 268578 C30 H47 N6 O9 68359 19796 50398 174612 18634 429957 39802 114533 227616 34503 1 48133 37196 41396 56798 64302 222564 78331 59542 55955 37406 66212 35554 42536 50223 C11 H15 O6 313226 13652 150342 28459 1 335800 10211 166826 68385 12553 1 34552 169577 60950 24523 95333 104838 19353 95755 28494 27210 41438 18016 13432 13260 C3 H2 N4 O4 S 251971 326482 279470 274351 224418 304666 274006 309926 309334 286459 1 219333 298338 275155 293368 307536 234567 85719 293146 250205 257913 236035 279938 92451 280998 C8 H8 O4 S 301451 24292 65535 42199 63007 25369 90683 45115 62984 35949 1 15810 17369 68055 1 67853 26436 11143 62135 46035 1 43252 20144 24706 28302 C7 H10 O5 183652 237126 253490 220050 253144 308857 267602 249019 291959 137562 1 237576 248860 286773 233604 262431 232401 224517 285471 275629 249193 264471 150567 223006 290504 C4 H2 O4 Esi-0.8419998 1.20E+07 1.22E+07 1.24E+07 1.25E+07 1.15E+07 1.19E+07 1.19E+07 1.18E+07 1.11E+07 1.19E+07 1.93E+07 1.11E+07 1.28E+07 1.15E+07 1.15E+07 1.24E+07 1.20E+07 1.42E+07 628656 1.15E+07 1.18E+07 1.18E+07 1.21E+07 1.26E+07 1.13E+07 glycodeoxycholic acid Esi-9.259001 46341 18647 96420 388686 8813 13374 1 38563 1 15320 1 36495 51710 24312 1 37057 1 40270 41885 51265 1 49124 10357 14306 46803 C8 H4 N4 O9 S 253191 274206 261653 255600 276385 259592 276451 264790 249002 272923 1 255909 239430 265386 259987 270006 268541 307319 248418 258114 232443 239139 217011 315231 213845 C16 H4 N2 O9 204374 261948 236302 203627 252245 237610 235749 253957 252226 254728 1 245701 257174 225898 230004 208682 249159 1 300275 212309 232765 249268 251091 1 276869 C8 H4 O6 S 194362 285613 244255 224283 225863 269852 246980 239013 243619 247033 1 202854 246745 263104 267801 178951 230162 41207 269203 200690 207176 246470 260014 45681 201430 L-Valine 63851 118364 159446 62076 105603 141125 138997 137424 90652 86766 1 83616 137111 228746 120912 175250 132578 220869 213324 186698 169593 266121 287408 173509 332545 344.235@11.645002 103573 1 84481 1 1 127383 1 33403 78085 1 1 16406 283569 12720 1 1 88707 1 21387 16956 42839 1 1 1 15055 553.3733@12.296998 63597 1 1 380631 1 615859 1 121458 254706 1 1 1 56133 37816 1 70559 179611 1 47262 1 1 40760 1 1 1 C4 H8 O3 Esi-1.5699998 168304 246552 454546 312951 629518 190489 422728 149367 475938 490665 1 427289 254155 387947 511610 305900 1016660 1488278 475898 222537 187293 285933 432090 284421 249202 C35 H49 O9 40145 100227 115064 20111 67609 263562 92293 45304 329302 104147 1 71887 219408 55602 50023 57390 120194 63458 70785 114647 155501 74615 137737 62559 70101 C10 H13 N O3 276505 272217 261008 279208 271178 284645 269523 265699 270969 272319 247410 255472 287741 313440 275692 276268 282270 286150 282170 291939 290888 284933 301118 283457 304920 C9 H11 N O2 88866 176673 160444 190553 124488 122932 170301 159311 243550 104469 1 147223 217958 185445 157051 238530 218805 294728 267580 204740 255505 190560 230802 177847 332627 C4 H8 O3 Esi-2.5849993 135779 142718 359987 612673 70349 271609 393469 147942 61734 228137 1 332541 318726 278498 110004 400051 463582 384069 377667 1 469214 348009 466046 255261 149077 C6 H4 N2 O3 S 500448 588655 591091 553230 579797 572740 594004 555423 563605 604970 169034 575563 528208 572047 628196 517863 582636 526097 549780 542670 1653806 547989 534891 551543 522868 398.0099@5.2860003 254835 13622 16179 1 1 155154 63455 1 11152 28551 1 20686 21595 49156 1 8840 1 1 23282 207997 1 8017 48353 61102 13620 Esi-13.536999 167728 176945 180122 692950 93441 528063 211664 438845 343288 382218 1 117205 76418 165443 127239 92465 464341 399323 208235 86538 136000 113447 177952 147254 70818 Esi-0.88800025 :1 170470 117278 116513 177619 104052 114410 121818 98720 41026 110894 1 110336 85530 115256 121557 72403 106174 126280 128638 181842 54565 104459 115791 233358 79035 C10 H8 O15 S 210502 226398 198274 203474 219164 211155 227183 193017 191590 226929 1 201897 194902 216561 200138 221589 222300 296722 195804 209912 186022 198358 170168 299792 161867 C51 H6 N O S2 151880 138281 120360 113989 159644 122789 125794 118734 138640 125878 1 276933 144775 107608 112935 146963 152501 1 219517 143286 180040 163288 136317 1 253800 C6 H4 N6 O4 S 295702 96146 102722 19014 14629 244551 168479 33537 86018 120068 1 107785 115682 153193 56366 71981 56995 54437 112021 263819 69002 77470 160828 166883 101885 C31 H49 O9 Esi-10.925002 214424 146308 114157 114284 134974 328625 275820 219434 230789 188235 1 123775 118597 82886 154461 119642 215614 237780 124308 300300 102741 179427 176654 175024 166270 979.9859@14.782 1 1 53670 1 1 195980 1 304671 10429 1 17092 32530 1 1 1 1 1 49607 1 1 1 474039 1 427346 1 C9 H5 Cl3 N O9 210700 257478 228282 221996 219784 232489 240632 228899 208013 247675 1 206668 210598 236132 208376 221947 215647 292559 216779 218992 197624 220133 204500 294063 171690 C31 H49 O10 Esi-9.11 109052 11094 100822 221513 1 217993 8131 323660 212507 19312 1 100985 87753 179037 51119 101651 282826 164134 203954 49602 28495 88354 34030 71888 30332 C3 H4 Cl N6 202278 289477 275011 300733 229208 244325 251588 289040 140713 303672 34568 244455 225584 250100 307897 192339 257399 214479 318110 269740 150785 222580 316028 255206 222123 C18 H10 N O5 S 38650 139085 142214 60168 105255 191383 126979 213844 272230 173271 1 49877 143867 179319 146735 130990 79384 1 174974 50363 146941 134731 220064 1 173891 C25 H41 O7 23949 21474 17504 25956 1 255884 38825 26613 156751 18908 1 26813 25873 1 31472 63255 71310 29707 15348 32399 14946 16017 11841 15779 20778 C16 H2 N O15 S2 173363 209764 176073 162804 166058 184187 195034 158024 139233 190881 1 149552 145592 184597 155410 177018 178404 296023 173465 173996 135781 158642 134661 290469 104331 C30 H51 O9 33515 1 20075 109913 1 758749 40753 74789 350111 22381 1 22177 57951 1 44265 118179 167764 39259 70976 24639 32364 68883 19567 1 1 Esi-0.88699985 203286 213072 212865 224969 207252 195052 217813 199198 171264 201121 1 221863 191378 210267 190520 207486 206825 311343 170754 212515 185577 192152 174267 306551 153126 C20 H4 N O6 60436 70160 235219 171243 53345 71232 56993 198456 248911 58524 1 188904 155486 50066 227943 60630 77183 1 61897 56693 138808 59417 251839 1 245795 C12 H4 N4 O 210714 290633 307211 323745 215215 357933 240994 307868 222502 274168 1 200454 290713 368924 359778 264591 299567 232031 354634 289932 190911 310892 372853 286053 227837 Esi-0.8419998 :3 154038 157118 220352 215230 194302 184451 178161 223073 230753 167947 1 242541 217589 185784 221001 190140 168441 27376 193658 174968 229526 199251 229004 28997 253036 C26 H45 N3 O8 42027 31462 33045 46780 14476 320771 34024 57619 166375 28108 1 28742 47771 25968 34907 66255 113723 44311 62304 43509 46823 60214 45664 23283 37664 C29 H47 O9 210984 181424 177156 402018 89385 659774 125621 274705 218888 59239 1 107001 183815 132937 204828 291692 234360 407941 241721 152067 76717 154766 113702 227640 228939 C31 H51 O9 Esi-11.669003 77638 41747 42161 183904 33992 390054 74169 127238 139758 47951 1 52500 47627 46531 79987 71101 163095 102094 56773 82217 43292 52847 43127 59069 60378 C4 H2 O4 Esi-13.378002 1 1 240803 182865 917099 394828 326429 1323042 520362 1366805 1 1373181 1047022 1 1069556 199516 730927 1294751 213309 1274200 1 1 307801 1 1259754 Esi-0.88800025 :2 194639 153331 137301 204373 117254 127347 148018 132466 47918 143510 1 121633 109187 150209 170198 109563 147462 173026 183335 227457 77803 137598 166576 263336 119273 C28 H4 N3 O25 S3 199967 208403 194324 191025 214846 200545 218629 183865 182218 216361 1 197974 186696 217095 196204 218796 223742 125331 193504 206472 190536 206811 165996 122372 152186 C4 H4 N O4 S 191972 282409 225521 217886 216605 256995 226757 222184 246813 237325 1 188683 234456 258976 263545 180238 202196 42936 262567 191560 195167 225428 239245 41793 199398 C9 H10 O4 S 94665 33722 76473 20601 50774 17588 26251 28794 54091 73034 1 26304 77862 29354 1 270500 18337 46376 1 8863 57237 68665 24029 25516 220351 C4 H5 Cl N5 47092 65397 69389 73512 60673 65208 68213 74003 36862 79417 1 58742 60816 66856 81876 36221 69697 44710 86204 66525 37436 56508 78834 64099 49750 C7 H6 N2 O7 S 30003 70162 154982 143059 93990 131102 102220 117327 208651 86843 1 139384 163441 137664 233815 105704 140826 102634 103952 100690 213713 89955 222119 99236 272338 C30 H51 N12 O2 150222 188979 195658 201729 201765 185676 194654 195085 197739 198345 193748 195186 211057 230229 188678 205890 216869 291852 251361 239920 246695 252353 244810 251781 243792 C22 H31 N O5 S 72693 243139 183949 92318 152362 118013 205029 163548 190775 184019 1 105949 55129 134424 241860 99452 50278 163114 206545 60298 172619 266997 126568 97250 131546 Creatinine 303261 85400 78878 67263 95046 80882 112026 89152 106016 131951 1 97972 68790 99924 73269 82295 72420 79223 88652 165637 110506 111263 109419 125551 165253 C3 H4 O2 73995 108887 93424 89416 121501 92086 135752 85717 99749 100322 1 88614 88323 98739 121183 207289 41250 98915 86316 79581 124045 105517 73375 105118 76394 967.0078@6.1790004 1 156116 1 1 1 66502 1 1 218809 1 1 1 1 262417 1 1 86662 1 1 1 1 1 1 1 177600 C15 H7 N2 O3 191948 206603 190057 236400 127458 166898 153633 183576 51494 192238 1 129701 136560 190185 225312 78818 209083 161543 266698 279519 64124 142626 231590 247435 125515 C15 H5 Cl O10 S2 169434 211254 182730 168211 176611 192497 199911 169071 155230 201516 1 156319 162311 183236 162649 186928 182154 292545 176997 179300 149974 163197 141249 294424 115723 281.9517@13.57 1 1 1 813791 1 213408 1324585 837771 689551 826238 1 1301429 830536 1 823548 804396 828109 1 1 1 1 1 1 1 1685997 C27 H45 O9 36854 53092 48430 64007 26745 239377 41870 84886 103034 25890 1 34719 63701 50920 39791 97959 67469 76010 105214 52966 35218 88085 68940 51275 75336 C6 H9 N O6 14804 155970 24297 24804 282125 177771 254190 17019 27579 8069 1 35185 25021 216893 35052 10973 17282 1 183667 12380 12364 14465 22863 1 44738 Esi-0.86499983 199795 260490 227523 222051 208540 234981 233723 233426 191280 232421 1 213552 200649 222144 204784 215270 207974 266659 219600 209932 179307 195781 193505 253946 160949 C16 H4 O20 S2 120542 147138 112549 104314 120138 123871 137639 103409 92740 135908 1 95722 99402 124581 100291 126863 130620 255845 118829 125530 94270 115020 87135 262702 65442 C11 H4 N2 O4 S 29534 45813 153136 145357 57067 132975 71976 110964 203432 74105 1 134997 159337 140258 231524 106656 137921 98932 102598 65859 198081 80922 217113 98856 265730 C15 H6 O 49126 163906 84572 95415 155036 120892 66185 114662 153204 55386 1 83657 137949 64376 151455 123435 111659 87680 137366 110775 257032 168475 68793 128498 130949 C27 H45 O7 Esi-12.416996 23181 14449 17129 42166 1 320592 54682 41891 133936 26650 1 32482 26136 1 57459 103085 92092 37823 22226 30099 13745 26507 12678 15079 15783 C22 H34 O3 227799 1 161899 59247 1 238700 1 71609 54118 1 1 30622 307384 1 28511 68126 70159 20117 57608 41465 55651 39821 1 64564 1 Esi-1.2299997 189905 396413 549338 465242 235325 269909 298031 476369 302339 289970 1 307865 484281 285404 483133 570371 770852 256208 369801 286896 530341 476305 509546 274128 298128 C6 H4 Cl O S2 1 20512 62351 91076 1 17172 73100 15065 47663 1 59883 1 89757 12578 56788 18687 50794 201309 66452 19580 23333 47622 1 288525 54116 C17 H28 N6 O3 430227 1 118144 144633 1 258665 1 177732 77130 1 1 62367 162071 43546 58744 87614 92176 45187 117004 55856 28319 54603 17719 79864 20635 Esi-0.8400001 50778 51480 29639 28252 36135 35217 46439 25671 24644 43842 1 27401 23500 45922 29246 40716 49173 206924 34847 47163 24323 35199 18016 212002 15024 Esi-0.88299996 :3 175249 195754 198397 201952 181005 178259 195535 190588 163771 187686 1 197703 179425 192210 175025 180648 190288 271860 159691 197379 168588 182735 166310 263459 146621 C12 H5 O16 129922 181678 166579 133048 181166 159089 162061 171198 164546 173170 1 210291 170142 147491 148027 164094 157660 1 229660 145995 175771 175771 163659 1 212696 C8 H2 N2 O9 S3 151872 143779 131124 158639 122368 130178 135043 122871 91419 128314 1 126570 112446 130527 127686 118735 132849 199343 126927 163591 94996 119993 115887 238259 98656 C24 H6 N O25 S 87453 94626 70413 72863 88971 83591 92828 62200 59220 91864 1 67922 66674 90809 71433 88259 100991 224358 79451 90345 66020 81648 57503 226485 44752 C8 H6 N2 O4 S 13131 46993 28458 40032 30289 33694 22029 33149 33936 29826 1 17538 39938 32564 197749 46541 59109 30401 27943 35784 32755 26145 23202 31480 49890 C5 H6 O3 98455 139613 122324 114718 153284 110716 164070 99872 120617 114013 1 114956 103604 123273 134663 266588 49673 149935 102043 104344 169429 119887 104474 131613 104509 C13 H8 N7 O4 S 48212 181903 119430 50707 112078 203517 139570 194396 228883 231750 1 50657 121464 203123 124443 130922 86841 1 170573 51805 121173 127123 208396 1 109339 C28 H47 N5 O14 86531 61001 67543 149259 30986 477352 110463 170999 387102 74824 1 87712 123953 46844 108689 168518 292316 158092 129564 95352 105923 120975 75022 68440 86917 Esi-0.9969998 32612 19384 33257 367855 20957 22702 24592 20112 306301 15969 1 50182 282034 16867 31810 160159 37928 363781 20114 48344 295752 21568 362019 345298 438361 Esi-1.5690001 36207 21273 83406 40035 121482 47648 102604 37633 86827 110938 1 80115 48735 96503 106916 50431 203413 320105 107700 33232 31184 57643 74677 56934 38497 C4 H4 S3 200735 175122 159336 233351 211718 148576 163655 144538 126309 180361 1 306628 230462 133425 157971 168813 211368 179494 140031 188068 183276 203780 141099 111784 169820 967.0082@14.017384 1 1 518906 251517 1 278225 620585 72096 1 164516 1 688266 1596652 1 1 1 1 139339 222058 408632 1 67949 1 1 192432 C18 H29 N O5 210321 207413 199735 220586 208119 215842 202916 205923 212881 208495 188614 206040 222546 248111 208832 219496 208819 233603 231819 222066 228864 236034 226242 233250 221576 C17 H26 O4 Esi-13.9819975 17896 10957 15104 38888 13115 198391 42550 48105 118784 28531 14232 20295 22063 12999 32084 37191 63885 29654 26562 18198 14154 25718 22196 13450 17140 C10 H4 N2 O5 S 208397 232133 213004 221411 251028 211343 248774 218218 216699 227199 1 220596 222619 210545 214563 218902 213192 242118 202088 228338 213191 210245 210309 233566 194016 C5 H10 N5 O 19713 13075 19225 9421 7896 19972 32742 22430 88828 18214 1 14486 18619 15843 29816 15775 33730 17423 24277 15419 35094 19367 15881 12015 14868 182.9948@3.7890003 254287 1 1 1 1 15715 38522 16644 1 14186 1 65083 1 27765 30678 1 1 60350 97583 19306 1 10264 1 75329 1 Esi-0.8910001 150228 152244 234642 231700 183304 184664 183243 232944 223986 169038 1 253147 207415 156942 199378 176366 141593 51859 157947 161036 211880 184026 235092 45970 238722 C17 H28 N6 O3 Esi-11.281002 430227 1 118665 144844 1 258665 1 177732 77130 1 1 62367 162071 43546 58744 85944 92176 45187 117004 55856 28319 54603 17719 79864 20635 58.9827@11.569 47689 125288 50593 108130 1 113668 1 1 1 1 14350 65231 1 49085 77087 1 1 1 1 333995 1 1 1 78119 130777 C3 H2 N3 O S3 265597 175599 222776 236872 187599 149358 166436 163114 156771 140182 1 259616 201016 57302 171800 158192 202605 171117 158581 212475 173123 177327 168771 175099 171720 605.8242@5.4210005 12255 1 65779 1 1 226406 1 42386 1 1 1 7259 138626 22044 1 23387 63330 1 26484 14342 46015 77085 1 1 1 C39 H7 N9 O5 98353 176849 142878 79503 159804 185741 159278 176687 230676 185163 1 103547 165964 188287 145484 187646 143923 1 246723 105498 209081 200197 187352 1 242550 C18 H32 O2 6975 1 17472 13846 1 185659 35545 19415 124667 20929 1 6771 13407 1 13756 6921 201126 7787 14968 1 1 7878 5782 1 1 C9 H4 N2 O11 S2 145412 212308 171535 156388 135304 198578 164922 194126 185496 174334 1 132439 174441 184353 174223 174123 146083 47329 192646 149848 149824 136351 175559 52668 146942 C12 H2 N O15 1 25650 93362 21137 14425 123905 32858 22812 117102 29148 1 30170 109892 1 15069 1 98832 108960 21966 27169 20019 27667 222188 85502 70337 303.108@0.92099977 224142 1 98939 14765 1 236014 1 115658 46246 1 1 20847 116277 37143 16246 55613 66925 1 68837 16752 13231 22456 1 1 1 C17 H6 O7 218510 202876 216887 224982 215233 224754 210578 217452 230985 216454 204042 218797 209228 246500 203549 208779 217367 240756 249460 222811 235426 248740 233225 217810 231275 C6 H10 O7 234607 19735 12550 49608 11511 20642 19519 8470 17184 14502 1 14325 11684 17804 10533 21781 22321 13573 18010 87976 25764 14524 22857 18403 31162 204.009@4.466 226219 72890 33962 1 1 50509 37684 15689 21548 10537 1 1 23982 21522 1 20857 1 1 12372 77188 1 34480 15893 14970 15096 Esi-0.88599986 147547 111513 102141 155283 90388 103532 110378 94425 35945 97527 1 95049 74542 96451 116582 74981 90230 113721 112812 159907 48512 91442 102943 195552 65461 C9 H11 Cl2 N 84032 213371 181265 213723 154866 161299 155823 208513 72473 220315 1 195955 139198 153387 240792 99215 200363 150307 216356 148619 66046 123605 183294 183029 114185 C24 H45 N5 O7 118570 173529 182463 182929 199274 132708 148984 186467 185112 167759 178629 161090 168507 180797 183308 176900 195732 245361 200122 148623 207791 210525 181466 166183 196769 C11 H14 N2 O5 7253 9385 13586 24133 22581 69589 209099 15135 39516 12369 1 8192 7292 103083 11469 74813 1 27428 11347 26700 16899 14432 8177 21402 21636 C7 H12 O6 98594 145966 137759 158967 136605 167921 172304 157859 220819 71845 1 140459 172927 173356 164006 143943 131194 98770 180188 185158 165239 190971 114474 95053 185286 C17 H24 N3 O18 241150 333847 267918 222007 238905 197426 218187 228264 259521 219002 185483 144094 215603 226659 219484 234574 187262 268414 358412 296082 241288 262981 263153 262647 258319 250.047@0.9560001 207406 1 42476 1 1 210176 22461 10123 114520 1 1 1 106647 38282 1 140605 32758 1 20627 113367 65778 135704 34777 1 48445 C12 H31 N5 O11 17865 99365 123139 31566 99424 125580 103878 138771 75710 66471 1 74983 125004 138747 120295 117877 135561 162401 177342 110903 117249 169444 174034 186506 191142 C22 H32 O7 58732 194501 150111 78438 81670 111575 158301 138097 170658 132698 1 87624 53199 111726 210270 81359 36468 129052 146228 15390 115480 218031 97458 72889 101300 C18 H34 O2 1 1 12609 55592 1 187090 50005 16653 190832 24962 1 1 12391 1 24001 8350 155444 13705 18893 1 1 9207 8308 1 1 446.3384@13.046998 1 1 1 12648 1 203191 22138 14333 68511 22601 1 1 1 1 25271 8701 82378 9844 10443 1 1 7475 13868 1 1 C11 H12 N9 O4 56349 91478 100199 72828 92771 170083 107729 99563 150456 117571 1 83393 131399 92967 85610 125191 141615 178816 161218 48895 67317 126469 117019 197880 93115 C24 H32 N7 O2 41886 14838 15871 1 47311 32631 1 7264 25821 17322 1 10101 1 11631 20780 1 14712 12487 26581 222206 69911 17737 23133 12450 25681 C18 H34 O5 Esi-7.9900002 948372 23575 165265 295497 1 1133670 11094 336781 219126 29621 1 156105 246376 149559 113059 312971 324794 73137 484222 136119 58637 265587 57989 93236 47549 C20 H36 N13 O2 99671 138935 142003 149561 153570 107512 121642 147883 140338 123384 141995 128543 140223 130875 136973 145829 155380 185890 156690 110040 169720 172108 138649 130507 157193 C20 H34 O3 Esi-11.709 :1 500190 19706 316074 129102 1 545152 1 262049 65568 1 1 47663 192356 53224 59842 208835 199245 66255 135856 59390 79582 85572 8063 122644 50231 C20 H32 O4 Esi-9.591999 :1 722334 74262 269360 284538 1 448788 1 504608 117751 34718 1 183681 346218 100505 163416 331612 234069 180796 400100 220643 148196 147998 31739 305020 62729 C6 H9 N3 O2 62865 145364 90099 72837 126944 70793 127744 82945 69546 108587 1 79302 75794 100558 80983 59505 105416 213813 104334 154988 101379 122776 130657 158807 107224 C5 H2 N2 O5 140375 171519 133961 167773 141158 142289 196743 156011 146585 186424 1 186344 162448 195506 160681 133867 161901 200837 225479 183234 197345 190430 173806 171321 71627 C9 H12 N2 O6 204396 93998 86316 91018 83371 148391 110814 84412 119707 99173 1 78049 97264 92370 70188 98350 79047 101196 117552 108456 63812 99283 83679 120699 91900 C21 H18 N8 O17 126140 126981 93114 169180 60203 90686 111347 97796 14235 103020 1 59984 53643 87964 111644 58034 76710 1 116000 139735 22694 49453 88749 1 42050 C18 H30 O3 S 300679 100133 177206 195053 143311 171274 161072 164238 185644 107314 81776 184277 176692 182848 103770 170374 115133 125488 213330 206315 189305 131255 129621 174791 123093 C14 H20 O5 123175 106570 145253 15172 50658 137727 182448 75300 165715 74662 1 76861 115690 44646 1 57633 75842 36187 61754 152867 110822 87236 144960 106257 109699 C4 H6 N6 O3 14898 25775 50753 81440 28434 40172 40428 45453 32978 47042 1 51204 31774 50292 49626 67746 29914 209444 45275 53745 63939 58927 91197 59765 63537 C25 H24 N O2 30998 16668 22505 1 38374 66693 7909 1 173369 24700 1 64624 13396 12118 23906 1 20708 59823 63829 64378 22054 31478 46033 1 18896 C7 H6 N2 O5 S 40370 88337 89691 91029 85190 82783 91630 89138 85905 92007 1 84870 82297 82418 82437 85883 83285 81230 83147 83553 244739 84689 88270 78836 80569 C17 H N3 O10 S 90850 143059 129349 107863 148165 134391 137502 137754 127725 140155 1 167870 132719 117731 113901 130638 123096 1 190004 111856 137183 137474 133169 1 170214 C5 H3 Cl3 N O3 168783 218163 202164 182862 181013 197715 204339 211754 181250 202884 1 182251 187691 179241 182104 178142 170819 190697 183753 173057 168591 175518 184339 196692 153029 548.7805@5.058999 1 95923 1 1 32063 147296 41986 1 54698 50197 1 68917 26649 87922 140885 1 1 1 132010 1 1 1 20079 1 79298 C17 H5 N2 O11 178940 158496 146116 136213 152141 166933 147587 154138 153956 153379 1 194200 161476 139892 134157 148177 161291 1 194853 140826 159829 167582 157087 1 188198 C7 H13 O9 93225 52545 192809 47423 17915 147625 29577 127723 101249 56774 1 70815 148829 109137 93579 128382 202997 104170 142244 57361 110099 96855 88360 94731 45962 C3 H4 N2 O5 S Esi-1.0720004 66953 92171 52406 100777 105230 132808 103620 125038 120677 67926 1 92981 111443 77295 104026 97171 45032 144775 1 42386 104344 107066 103864 239730 118653 438.2969@10.349 1 12272 10052 23951 1 11209 40477 1 161610 1 1 1 63496 29557 1 10821 1 1 1 1 1 14899 1 1 20420 C5 H10 O4 193570 58310 48950 10344 14135 31131 23406 21701 23171 17042 1 19663 13509 21520 11399 50391 9741 10614 17766 36847 18588 41829 33389 11627 31763 C17 H28 O3 S 172896 170586 96718 161023 157794 183115 102134 159569 166970 148475 136903 91303 171058 177490 135122 177535 196097 194668 191828 221070 212318 197642 182039 186523 190009 13C6-phe Esi-3.208 138695 157851 149151 148248 148774 152286 390747 154419 384490 148764 1 140588 151589 155561 146544 140430 163227 230190 200694 191770 209062 190074 207022 533962 176798 C11 H2 N O13 S2 94249 189810 119822 112727 84083 160393 121287 153292 174953 132929 1 85622 149944 151140 155077 117714 91717 1 164953 98921 121100 98370 142509 1 139330 212.0319@6.595 1 12347 1 1 1 29061 35978 1 18981 1 1 1 1 1 1 1 205534 1 1 1 1 1 12979 1 1 C22 H44 O6 1 1 1 39806 1 164513 48959 31670 123613 43486 1 25587 11706 1 26099 54075 79224 19539 23063 15991 11429 18261 22075 1 12386 C6 H3 N2 77679 65215 18172 56821 55958 27257 84167 67068 127696 63605 1 39109 119846 62732 79469 413586 114823 21577 87004 22958 75140 80769 75532 28534 55934 Esi-0.8419998 :4 107894 112525 151024 147542 137026 131266 123927 154046 158187 117480 1 167296 152584 125820 152628 131864 116166 21940 135841 120898 156715 134903 154368 20874 169059 Esi-0.84799975 63838 71040 112157 107856 92876 87029 78238 124764 128865 80705 1 132802 117690 84348 120236 87367 75849 64004 96211 81116 125254 98872 144121 63736 187906 Esi-0.88299996 :4 110035 122458 112400 120736 104497 107965 120221 94575 81327 106553 1 110342 88246 109359 96552 106225 121137 205616 94200 124594 79951 92837 74227 204635 64477 C11 H10 N2 O14 31024 153508 110194 43181 98498 167760 121217 165410 193990 191273 1 27121 108901 175217 112139 116520 75299 1 147672 41649 103918 114828 161346 1 87941 C27 H4 O30 57983 67546 46776 44059 57268 52962 60353 41541 38452 62335 1 43813 46919 58554 45524 59562 68178 156765 50173 60705 42942 50342 33946 165765 26884 C12 H2 O13 S2 69971 69654 124982 125236 104117 98637 86348 139606 147269 86749 1 144519 130553 87348 135335 93154 71857 1 107054 81365 137134 99892 152403 7828 193584 Esi-0.88299996 :5 138151 152848 149069 158330 140829 142184 154744 145108 119786 138719 1 155602 138064 148661 138180 147117 146526 207570 127680 154952 120623 138263 120634 203955 110057 > limit Esi-0.839 31568 33636 17361 18817 23577 23501 31208 12700 15403 30400 1 15604 17937 27143 18339 26655 32800 145659 20330 27754 16911 20966 12237 154018 6788 C18 H6 N O20 S2 147449 166643 180119 181840 181379 162496 170907 178273 175749 162092 1 182805 179413 175889 180469 178041 170237 76639 170697 162178 175626 177714 170425 71894 171420 C31 H2 N2 O30 S2 153547 171511 148825 148638 173795 161166 176744 136041 137772 170594 1 147897 143361 172388 149628 175267 181700 105712 158366 166763 147914 163520 125925 106067 108095 C19 H28 N7 O 231444 22344 161816 68448 1 280108 1 147474 74505 11487 1 63291 106140 94315 50657 107342 286104 72556 163654 59369 34784 26653 1 58579 11388 525.3424@11.988 1 1 1 29878 1 245574 1 20222 114487 1 1 1 1 1 1 1 44767 23303 1 1 1 1 1 1 1 3-hydroxy-3-methyl-Glutaric acid 79648 131406 111758 71090 125369 117279 135153 83294 110552 108503 1 86704 93760 101587 116076 228948 46625 67816 91835 59075 135398 102098 88016 76061 95683 C33 H50 N S Esi-13.358001 74911 78028 168399 353897 67981 487531 286541 242636 603334 220691 34304 117428 180544 72934 268505 170361 589150 253045 273184 65926 84935 141832 159258 75318 70882 C17 H26 O4 Esi-13.627003 20825 17265 17349 108343 23226 160423 104440 96051 168815 94648 1 83832 42393 16860 90890 119049 146480 61373 71924 51564 45981 70005 81845 23999 52608 174.9941@1.5699999 96982 55669 1 1 1 9648 18633 1 1 1 1 1 1 1 1 70053 1 1 8072 16826 18448 228379 24203 1 1 C5 H6 O5 S3 156920 194274 189169 174777 164950 183908 183056 188845 163522 189272 1 173833 164949 177084 169616 168358 163011 181927 171367 160573 156310 161158 163598 176306 143740 C9 H2 N3 O6 S2 157293 207188 174071 165453 133624 201558 164902 192342 185029 175954 1 140156 175176 190117 182306 184938 138703 57098 189943 151639 158203 140347 174863 59156 159383 C9 H11 N O2 Esi-3.213 59046 104990 90181 109291 78336 74023 100977 104476 243550 65680 1 147223 217958 111938 157051 238530 218805 194577 266892 128164 155538 117838 114917 117626 332627 C12 H4 N4 O Esi-0.941 205878 283761 303862 321069 208455 354929 238096 305317 219103 270130 1 194441 287568 365246 356398 261867 297649 228102 352789 313780 188308 307124 369484 281126 237629 Esi-0.8489998 74800 80207 112616 111397 93543 94792 85041 120342 130615 82476 1 128055 120524 88445 119535 92735 76583 82668 97862 85000 130861 102190 144112 79677 178830 Esi-0.8910001 :1 121027 112287 175629 170947 139284 142563 134752 173172 169759 120157 1 197392 156520 126971 163408 140120 115583 37723 126902 128992 160106 137256 170855 35355 177458 Esi-0.84700006 62106 64940 105970 103351 84855 81436 74068 117909 119198 72923 1 125535 109343 77032 114823 82751 69260 37312 90926 73511 118866 88791 135455 37042 170913 C10 H16 N O5 S 30250 25140 11213 1 26179 33354 23860 7768 19326 17286 1 1 18394 36540 1 21619 24061 141274 25034 23281 9944 27010 12636 177745 1 C18 H4 N2 O15 S2 136763 151690 178113 165124 163045 154739 159904 166663 164690 156851 1 168161 163167 158506 175074 162301 149701 65765 154410 147036 164156 155133 163213 58570 161507 C9 H4 N O10 S Esi-13.371001 20840 24569 28827 67654 10722 166761 48095 30490 164110 30750 1 1 45285 1 37064 24116 92098 31143 25644 1 1 1 19842 1 13875 C22 H32 O3 Esi-11.487 205384 49646 171354 84599 1 213951 44987 63936 72133 35434 1 67905 567270 19289 66194 100771 69745 31467 36893 34477 75857 87589 85258 117033 30635 113.9929@12.947999:1 1 1 22531 1 1 129206 61780 232256 109085 1 1 1 244309 1 203403 1 137336 1 1 1 1 1 1 1 1 C17 H26 O4 Esi-13.354003 31297 35716 80474 177923 33769 320988 159581 123605 372363 118210 15026 57760 81561 33408 122414 84613 247960 99080 92610 25663 33539 62804 65748 29142 26725 C27 H41 O7 41355 54316 82819 93620 54762 95801 90399 62424 116029 62123 1 62458 26450 29188 88615 41014 66930 77826 41303 203313 16510 72509 58460 97018 69319 592.3967@13.653 1 1 1 25795 1 186046 13171 1 20860 1 1 1 1 1 1 12627 80057 1 1 1 1 1 1 1 1 C12 H16 O12 S 159352 153580 126046 178520 105819 128577 139601 136081 47628 139271 1 98152 93423 121643 144151 92361 106726 1 141871 147826 59470 88714 122608 1 83104 C6 H13 N O2 68056 129527 144529 66462 91786 117578 130753 122162 85935 89602 1 73712 86854 206208 106945 136534 146236 231364 208006 197841 167458 231093 321881 195161 342502 C18 H30 O3 Esi-11.615998 :1 432894 7973 97323 251792 1 587978 11984 310765 293943 28190 1 112259 204300 110964 104403 206060 330913 77293 167499 78374 46934 107165 31735 122060 42226 Esi-0.8560002 76742 92066 62848 62096 69145 79532 82598 59572 55213 81416 1 58835 58577 76313 58867 80530 81883 171367 69866 75109 58228 69071 53446 175955 40759 C4 H2 N O S2 116364 95572 54044 56614 83730 54496 22269 58716 49974 56667 128666 90793 62433 46065 61036 67061 1 92767 123340 65121 105242 87937 70658 95186 78037 967.008@5.0991817 1 69911 1 1 447353 590591 718300 1 1 1 1 1104820 1010194 1 79682 1 179303 1 1 2252962 1 78655 173515 1 1 C16 H N2 O13 S 74188 137143 112507 85000 126404 112418 117749 122112 108167 125312 1 127213 109851 105856 97797 106900 105416 1 171822 93715 106524 110575 118186 1 132638 Esi-0.7740001 195470 16248 18336 28423 6076 15974 19877 13614 13488 143718 1 9075 13225 16916 21550 20471 22406 162099 16667 32379 21464 16584 164959 156267 15973 C30 H45 N6 O9 89562 54219 114305 64049 60256 197781 85571 111524 184584 83538 1 63968 74506 56345 59475 71945 150677 126206 92782 145442 41838 115160 93251 91415 85729 C29 H41 O7 45511 99547 100907 25569 71367 134262 69218 50529 92546 72987 1 77998 41806 37290 91724 48106 66055 82508 57351 146282 28395 70384 47441 95665 51630 C3 H12 Cl2 N7 O2 50067 162136 137247 162969 121536 122192 117557 159608 53726 166471 1 152620 102802 109418 186732 67517 153583 109386 166435 112500 44553 95764 145353 139823 84665 Esi-0.8950003 182095 80525 71359 86472 73634 77964 86533 80900 62329 78343 1 69213 90783 63146 71761 83113 86073 1 60773 80719 62722 59980 55884 1 50658 C24 H11 N9 O17 97945 104913 91854 104369 86288 99665 102720 107331 70926 98310 1 110824 86818 88317 104313 90833 95202 1 139646 105366 76238 91352 101413 1 119761 223.0092@5.833 146463 171584 192245 1 1 183252 1 1 1 8432 1 1 1 1 1 1 1 1 1 127666 1 1 1 1 1 C3 H6 N3 S 133709 208899 247762 196369 142863 176853 166527 217105 133215 160806 1 148367 180379 174055 180165 183169 192901 109373 198611 177181 166697 176656 229040 136606 173420 Esi-0.8570002 112641 154263 169741 164172 108106 133766 129808 159539 163342 145425 1 146524 142230 119087 134218 120208 85562 59194 132605 130765 139564 116402 171733 60742 153630 C20 H24 N2 O22 147288 104104 144603 137559 96880 238108 117172 146772 218177 118519 89901 128803 174012 112903 124918 174592 207266 160395 147391 128495 122838 124847 116282 138978 116269 C8 H6 N6 S Esi-0.9090002 2167301 3117918 59234 48557 3653536 2707079 3834118 2581030 3111803 3060009 1 59077 2785725 3615181 3522754 5483235 2248177 4737363 2823861 3285712 4876793 4090898 3292956 3928209 3386015 C22 H24 N9 O17 140052 141391 103196 174409 71782 309130 101770 88470 282368 153183 106056 139124 190391 74271 169984 190862 134648 235527 93671 617801 113191 282026 137975 150950 198100 177.0477@0.9160001 34280 1 14590 1 1 44777 1 19227 46388 1 1 1 14084 19254 1 81183 13367 14321 20306 12085 20594 15614 1 1 14028 C3 H2 N O3 S 140526 176627 149612 148219 111605 171965 149747 167382 163889 151582 1 119735 151484 166499 161355 158076 123593 42810 160877 137831 133872 115181 131461 50539 144123 C17 H26 O4 Esi-13.354003 :1 31606 35229 73050 177887 34462 314070 157435 123570 388306 116372 16459 52843 81909 33408 119567 85021 264087 99056 87864 29963 33704 57893 61606 29766 26314 512.3057@7.8119984 51585 15343 1 1 12900 12286 8635 9104 19191 13382 1 1 1 10355 173183 1 9837 1 12273 46999 23990 9740 10120 11857 9100 C20 H28 N7 O S 1 17242 13842 13897 8091 15422 9241 25495 23343 19661 1 12994 12495 13767 139440 1 12032 25146 24267 1 18369 13656 21980 19017 13900 C11 H21 N5 O7 S 32105 59752 48450 30451 75883 43255 76111 37382 69892 53860 1 34698 50508 72278 70116 188435 28106 98579 45627 53188 167550 108123 64290 60568 78198 Esi-0.86499983 :1 119265 156583 141712 132163 131937 141904 145591 142756 121325 151730 1 124053 126988 139180 125807 133858 122990 157339 132626 131073 113316 130665 123585 160468 104455 C30 H44 N S 26074 33558 54746 121453 25985 196704 101072 87848 191228 75881 17027 37374 62659 35312 81979 71749 158102 77227 92094 20682 28337 55544 51729 28664 32736 Esi-0.89200014 200610 76233 68753 87961 73185 77502 95859 89543 74647 79859 1 68708 102928 65032 84232 78798 102165 1 70181 84510 68479 64957 67075 1 54082 Esi-0.8560002 :1 157655 166942 166026 160118 145238 158308 159736 173174 154834 158514 1 150667 155577 151999 154201 145942 133975 79972 156172 149943 142140 144162 155035 83636 136604 C9 H18 O9 23689 77025 77130 51441 60988 58775 69321 65992 56542 60965 1 54559 63569 70271 94320 182171 51859 43262 81770 61235 139058 100425 106386 51745 77986 C8 H2 N S2 Esi-1.08 64061 116835 43678 117343 102433 117812 103533 60970 131122 122207 14828 103537 270787 105390 31468 57542 128332 1 106408 131194 162560 95553 47273 1 146087 C20 H14 N5 O14 64160 95861 85976 78902 97275 72915 106320 71156 80842 72084 1 92450 74178 80740 95609 149887 46406 1 82088 81875 120267 91921 68218 1 89527 C12 H4 N6 O9 112347 134805 128509 159738 89994 112346 128252 126682 58841 116283 1 101339 91802 109439 135587 88177 100608 1 111342 133679 62415 79435 114705 1 79447 C21 H31 N2 O4 138236 122463 126826 126326 127142 126745 113788 127049 126953 121654 116117 134722 121326 159562 127928 133295 137055 159617 148049 143573 144121 144832 142808 147190 131621 600.3256@11.508001 8739 1 1 16462 1 171413 1 22203 33206 1 1 1 1 1 9583 8521 30259 1 8069 1 1 1 1 1 1 967.008@2.4349167 1 86234 1 89110 836061 3340556 1 5648330 1128687 983751 4372515 1 1 3855543 1 1 1 624450 1 1 970058 2026283 1 1 1 Esi-0.882 84356 94729 93364 94628 86052 81060 99352 82251 67228 86433 1 86776 76722 91660 73154 89715 93603 166987 76147 98877 68201 83488 64689 170941 57203 Esi-0.8560002 :2 157422 150903 163355 152211 138420 148894 145289 155915 142843 145199 1 146846 147006 141529 144710 134542 125753 66556 148971 141412 134378 131216 148264 65664 128679 C8 H N2 83696 79606 100284 20472 54808 101821 67466 56454 91926 46879 1 135383 89081 57205 183790 48570 94620 104532 53335 84022 99628 99307 100458 112378 62923 C20 H6 N O4 S 25704 29080 123124 86872 24969 32375 24517 110224 132749 24685 1 98831 84396 19334 123830 25364 34254 1 26011 20507 70416 25669 141945 1 133404 C19 H34 N4 O3 S 113451 115752 112284 122879 111683 108842 110842 119917 122793 112378 95101 113330 123970 147218 114152 123917 122871 128274 134999 131082 133737 140263 129936 115424 123043 C35 H14 N7 O28 52324 24019 88609 30717 65828 15002 37757 19691 31665 31564 33231 76692 77377 26410 55586 31975 40694 33420 97759 39433 39403 23853 103368 25174 35483 Esi-0.8560002 :3 145332 157541 151898 146412 138956 142826 143062 145361 130690 146432 1 135950 141867 139551 137697 143217 125502 77073 145354 145402 132441 135049 134595 81926 118497 C8 H14 O4 50787 16864 33761 96675 13320 158994 15561 60908 51777 18491 1 37917 45409 41786 36524 51438 48604 36712 52781 27835 23579 40912 31009 23246 30934 C7 H12 N O8 39545 74842 152694 107259 41450 100856 46963 97474 96590 41946 1 76351 81923 68777 71642 40025 44754 1 60671 25709 62091 39081 133006 1 70761 C11 H2 O7 S2 125955 160020 157628 137052 146491 175631 153009 142203 152542 153131 1 131355 162367 165534 141340 143624 129266 163646 142606 147595 122283 141744 124565 168589 106624 C6 H16 N O7 32936 44757 35794 19921 41388 43223 45670 35044 36582 34125 1 34733 34796 41246 33085 42521 50313 153997 57616 50693 43075 48483 47900 113109 36779 > limit Esi-1.2350003 33701 63048 78373 73390 38269 45727 44084 67478 50279 41751 1 45269 69462 52536 73768 80981 223085 31657 48422 50108 104159 74436 75801 57680 58537 249.0486@0.95500004 147536 1 1 1 1 166168 1 1 84338 1 1 1 78617 1 1 93149 1 1 1 62653 64714 84384 6181 1 39685 C16 H3 N3 O4 65826 76487 72373 53377 75468 77108 70476 84451 93584 81030 1 82801 80274 82081 75605 74973 87915 1 143579 69902 97301 96859 98846 1 144181 C10 H18 N3 O7 S 44317 27914 33729 15579 29283 64443 36010 30454 108435 18626 1 14996 41103 31518 28305 142357 19059 1 33376 24629 111392 62938 36329 1 48238 C8 H2 N O11 S 94189 148676 105461 110153 75055 142589 105975 132584 144058 109788 1 76555 119119 120356 123280 144357 80362 11098 127748 95293 99977 75685 106929 13060 108005 Diglykokoll 76428 76088 130067 136957 44053 140495 43016 148236 161515 116861 1 125376 112792 76823 103287 77201 113536 83874 85984 57467 126927 119489 191830 62761 100359 C20 H34 O4 135942 12056 46154 107196 1 128078 1 142157 26463 1 1 44026 93362 46940 52120 55259 42048 64789 88945 31720 31116 37874 12705 63452 19911 300.2663@13.262 1 1 1 1 1 214660 1 15025 47831 1 1 1 1 1 1 1 17844 1 1 1 1 1 1 1 1 C9 H4 N6 O8 142932 140904 142360 148194 135377 150163 132021 138621 145050 139300 139237 151221 138262 166741 150029 141771 148967 164566 158523 137674 153578 153949 142410 150004 140413 C6 H9 N4 O3 32227 64116 76017 29670 63036 75872 69170 78555 52014 43945 1 52102 74858 114828 77641 81698 89194 92651 111863 85599 90686 126448 133216 82948 148209 C29 H43 N12 O9 35275 1 23450 91444 1 196041 19402 62051 119119 16348 1 23319 37522 21693 27728 51005 70060 41266 32462 27938 13199 36749 1 23214 18899 C28 H45 N6 O9 Esi-11.4400015 16800 13695 1 16107 1 186256 19852 34896 43782 10673 1 1 14445 1 17297 17628 31714 18706 15551 15045 17355 14356 1 1 1 C3 H2 N3 O3 147753 149412 134291 151685 144369 129909 148249 128817 142042 142890 81552 143549 135275 153396 146033 160233 159703 145450 132373 134574 126740 131614 138824 137276 152597 C21 H23 N8 S 129684 54546 34202 21902 39584 19281 40972 34568 54372 47459 1 21936 22703 28240 38546 16182 11836 65427 33718 29820 41238 57002 50362 24606 32439 C13 H2 O4 14600 11616 13042 14129 14340 12264 13788 12380 12758 13703 1 14525 14741 13243 13648 15287 13824 109856 12188 12846 12272 11450 14137 142440 15790 C8 H10 N6 O6 26299 76745 83835 74091 79409 83941 68211 83716 75964 47558 1 86606 93146 119689 102123 84142 106724 112266 133136 107109 129692 125331 73232 113604 142799 C18 H30 O3 Esi-11.369002 67268 22810 136875 139237 25884 103703 31523 55292 86395 45088 1 50193 278208 42558 48742 50050 136642 96583 227675 70945 35069 39308 15109 167262 17916 Esi-0.8549998 76050 94859 109004 107368 91586 94206 90707 112512 117120 86702 1 117783 110110 89118 109749 90399 82854 112214 98149 86126 113571 97759 119507 111087 146078 C18 H2 N3 O10 S2 134669 156063 173506 162794 164739 139836 155671 182520 189120 155043 1 15202 180864 166568 175096 158198 154686 46997 170582 140878 164445 154815 177178 41864 177483 C13 H N2 O16 59720 100232 86489 67951 91585 88730 84786 94877 99052 88428 1 106545 86953 82338 76389 88190 85448 1 129390 75969 90285 92112 83994 1 121607 C22 H16 N13 O10 147378 105734 119088 116297 81680 172809 148754 117753 101652 87037 67671 88689 135664 82368 97897 106861 186055 107890 137714 104343 93667 111492 98501 108172 97706 C21 H6 N O22 S2 123659 123406 132403 134142 137307 129628 132388 127505 126871 128881 1 137114 132709 137142 134791 137503 131139 76164 126306 130292 130266 136708 131055 71337 115234 Esi-0.88299996 :6 92646 106520 96419 100672 91216 91965 102950 93319 75853 98496 1 99641 87221 94059 86196 94108 96351 159926 85453 102199 75755 87375 77221 146894 67980 C9 H2 O11 S2 56042 57293 98945 96399 77493 77646 73069 110424 119270 61260 1 110848 102473 69023 97490 72361 55212 20281 81415 65621 101605 83080 118797 19950 166310 Esi-0.88800025 :3 94852 63419 67684 99856 57938 64269 62423 59220 22079 57279 1 58684 48511 62940 70811 44466 55248 67624 71305 101297 29672 62421 60100 129002 42548 Esi-0.84799975 :1 53591 57394 94732 95113 80597 75671 65839 93770 107991 67205 1 105076 101878 72578 99240 71682 61965 37070 75795 62300 104879 75734 122051 31045 139054 C4 H4 N2 O6 S Esi-1.073 29531 82986 84965 60918 59794 116240 86804 114166 75494 92696 1 94222 114043 85557 80922 56566 141862 121828 152647 76888 108535 120094 107338 163974 128315 806.9927@2.4589999 48307 1 1 1 1 55192 1 111339 58048 1 18599 1 1 424941 1 1 1 375534 1 1 362083 20833 1 1 1 C42 H23 N16 O10 S2 76578 93506 65922 63124 69159 96936 87875 94529 56030 99556 1 54159 70200 98253 87075 82764 74284 1 158145 78463 61150 83649 94869 1 101457 Malate 135257 71864 83716 82173 70499 81678 79375 80966 55249 79243 1 78774 74258 74041 81298 70528 73189 62357 91924 79720 43389 77230 74730 63631 70216 C12 H26 O4 S 19517 36361 17487 137249 21421 60284 18127 19333 29966 30758 12876 19897 18412 19685 20049 22697 18093 19838 25482 67543 24803 23498 22799 19307 28002 Esi-0.84600013 45740 64524 78761 62948 50019 54655 54496 68086 80922 55902 1 69134 68859 54317 69996 54857 46939 36758 66286 53937 69758 51432 68266 28645 100952 C17 H24 N3 O18 Esi-11.319 218930 217612 145096 262689 96389 266473 144984 166610 117647 165411 92517 84811 126839 140682 288704 159796 98863 211195 219065 202805 89889 137751 261582 107770 144914 C7 H13 N7 O3 16713 68133 96564 30239 36045 49783 60130 79039 53344 51096 1 39173 68785 84086 66116 67708 105876 41541 100328 70761 87607 138447 209927 55348 143503 Esi-0.869 111670 148390 139112 128864 121578 137404 137020 135047 114063 137271 1 121227 116912 127940 120764 123939 118935 158503 120612 120052 107043 115860 113731 153026 100701 C7 H10 N4 O 102691 17881 157147 123968 93995 249487 605105 47222 491713 281167 1 35133 51414 67189 60002 73581 1053672 246178 36965 34441 140353 157697 76612 49068 57771 C7 H N S 204306 185122 155652 158269 166508 96211 33603 257045 130792 29213 299405 176899 76982 1 220323 1 1 235062 1 232116 46986 44498 85506 48159 1 C9 H4 N2 O12 S 75706 134757 100651 90073 85278 117494 103769 101289 103266 109972 1 78685 102792 107412 112946 77198 86507 27306 108294 79602 77869 94437 97903 34524 73281 C19 H35 N3 O5 108690 102488 116638 108713 108263 107825 105831 114919 107116 106422 101678 110668 115506 132342 105265 113010 112377 132875 125649 121165 129256 133155 125569 125390 121157 C6 H4 N O2 S3 36729 105743 1 26806 27706 89198 56293 36377 91596 24384 419909 56191 66198 30631 21891 51889 37288 1 108256 78350 61941 200684 43534 1 30998 C3 H6 O4 Esi-0.9920001 394684 380657 462920 516746 323631 599082 330469 454146 583441 365180 1 327739 516171 483605 449450 496181 396484 363238 426780 340976 317361 432620 402730 334679 307508 > limit Esi-0.8400001 28080 26127 12281 13939 19210 21132 21227 10186 1 25094 1 12608 12159 20264 15506 24300 24101 131178 17544 27207 12322 16416 8741 135949 7256 C28 H49 N4 O19 61190 46996 56594 118268 27310 256403 86205 139766 263591 60931 1 71586 100451 40403 89290 128368 229182 125644 104682 79688 86526 103796 64346 62124 75095 Esi-0.868 111723 141335 132884 123024 118535 126747 134274 128843 111268 134971 1 120311 113442 123849 114551 116278 114560 149398 117993 120058 99329 111929 110679 155829 88785 C33 H50 N S Esi-12.949002 18939 13211 49175 47112 16164 182007 76256 52929 107523 57007 1 15435 40244 7902 46209 30965 152088 19566 52253 5327 11456 22054 1 7157 1 C8 H2 N O3 S3 1 101808 101733 109351 82358 86521 97219 106556 111439 89510 1 110914 104363 78959 78680 86817 66852 42059 97565 113673 112594 85824 110279 41660 110086 C16 H4 O19 1 39541 219685 84737 45472 59969 66441 86009 79561 96654 1 54939 100334 45251 85866 43020 56312 174336 77198 56559 91936 122326 259524 159671 92712 C6 H12 N3 O3 S Esi-0.9869997 72510 64349 101690 53091 54876 102925 74740 61889 120523 62823 1 36594 117428 57575 77338 442798 107442 20590 79987 33882 63908 77658 71016 28478 54082 C25 H30 N7 O5 31469 48973 99003 1 98021 18606 25582 1 24562 147507 1 28123 10353 40094 1 86989 32225 25676 74875 14810 21173 117672 135874 16821 1 C3 H4 N6 O3 Esi-1.5760001 115373 190083 329144 85486 375802 145660 347196 119231 303241 310461 1 311401 177213 306261 330244 204155 482097 616699 413535 137025 158818 185505 371486 135613 212417 156.8812@11.648001 1 1 1 1 1 152303 1 20323 109683 1 1 1 1 1 1 10617 22507 1 1 1 1 45271 55006 1 1 Esi-0.869 :1 84997 84688 76055 85903 69741 74974 81130 71254 54521 74620 1 74964 67381 74107 73347 72383 82087 112828 73620 91118 53143 73382 63730 135412 54815 C20 H30 O4 114795 9570 37580 47096 1 109745 1 78298 28911 1 1 28412 72908 26586 34102 67076 48491 33429 97866 32504 27394 31067 1 50276 13976 C5 H8 N6 O4 1 62814 106175 54444 44677 29248 46505 40301 53256 76044 1 58021 85055 52641 68351 62577 194125 59166 72273 40303 95678 95279 184012 18629 33397 Esi-0.8560002 :4 123479 129866 136633 134510 112086 122561 126769 137174 118605 120897 1 120428 126056 120996 121048 117142 99207 56218 130927 121029 113870 107235 125290 55614 114451 Esi-0.874 108784 103795 104339 123345 87247 95884 99830 106908 68212 96983 1 94178 87649 92606 101445 84958 88056 70915 97865 113635 71454 87533 102358 100399 80180 C19 H4 O18 S2 71368 111704 84187 69728 67167 98723 85983 89394 83569 91727 1 57755 80667 92676 86583 88740 73852 34404 93171 76897 69664 68610 78495 35046 64053 C7 H2 N O10 S 75700 139622 93595 84193 72528 124970 95567 107240 118497 106685 1 64824 110507 118504 116283 87673 78743 1 125336 81568 86938 92884 109491 7194 94460 Esi-0.85400003 68974 78849 69437 62673 67501 73452 75658 62278 59618 75411 1 58388 62659 75172 65213 70987 74067 129540 67859 68955 59682 64330 56551 131569 49797 C37 H2 N O24 S 60256 67993 50282 42840 59804 55199 61099 38016 38442 64860 1 42790 46008 63024 46121 61457 65544 144103 51012 59195 41136 50211 34173 146838 25788 Esi-0.8419998 :5 71273 81990 103978 99938 95742 90227 88346 103275 106301 83100 1 116218 103531 89764 103771 89434 82299 18446 92146 83427 111193 100890 104183 17213 110124 C15 H2 N O18 S 88141 131365 102837 92773 77450 123100 106620 112695 109475 115315 1 77444 98854 112662 104211 109225 89678 36623 117570 89921 84447 83613 100554 36638 78417 C5 H4 N2 40933 84822 121761 104600 50416 60378 59503 107459 70544 66906 1 58582 111923 57425 92514 114528 160250 54052 76685 60756 122065 105068 115214 64683 65639 C15 H18 N7 O3 102712 66264 92291 59976 71264 74776 69158 74392 99171 84271 1 66829 63962 61272 77052 76092 102278 90346 78721 99996 121882 72815 95856 74911 70442 Esi-0.86700004 :2 109131 147910 143648 130161 120646 129615 135057 137007 117307 133065 1 126797 124914 126535 123668 119865 121947 134963 125936 119709 101351 112415 116564 139744 94712 C11 H4 N2 O3 S2 52906 107561 72836 64962 69549 94497 78927 77815 95233 88305 1 50078 86339 99989 97785 51132 66468 1 114850 58422 75135 90255 93712 1 65281 C5 H2 N O2 S2 126808 153096 144801 145584 133150 141533 140138 152619 127974 140287 1 136125 138967 143419 133648 142440 127293 154955 133877 129170 123795 129884 136211 148190 115626 Esi-0.8899999 :1 103604 87912 76064 110642 60519 74215 82876 72407 26306 75895 1 63668 56716 76654 88382 62222 69915 77285 86588 111525 39618 61908 77173 115762 51950 C8 H12 N4 O3 58483 66125 73713 101928 58068 160216 92718 86926 181850 119273 94891 108418 80030 75818 122527 76935 200699 90030 81979 43560 99497 68387 64430 42018 75618 C19 H28 N7 84528 1 37687 58099 1 143835 1 139981 41341 1 1 33659 69566 45660 40435 55460 44939 40818 94137 16914 1 68392 1 53351 24718 C31 H47 N3 O8 49860 126443 68869 52279 77858 111956 142951 49038 83010 115481 1 59916 54762 35748 69351 67530 72280 145909 64382 144936 61027 80890 95010 98757 100540 Esi-7.86 1 32927 28636 17324 12523 18763 132432 24387 28575 18434 1 18546 26900 49165 26291 11378 31714 41307 13782 30748 1 40175 50858 28864 25794 C24 H12 N3 O24 51870 48662 45051 39034 56061 47466 46194 44991 55971 47014 1 108870 57822 32095 41337 50055 62008 1 92948 52994 69945 68126 47811 1 112291 295.0794@0.90900016 134662 1 64191 10919 1 135748 1 64080 1 1 1 15590 66537 1 1 27401 41257 12233 28148 9357 7065 7839 1 8382 1 C17 H8 O3 89663 123570 113283 103387 103206 95208 121324 96601 69795 107811 1 71401 85001 103929 127707 117041 87038 124957 121019 120629 98064 103456 116358 129413 87467 C12 H2 N O16 S 86809 128810 100062 96285 79222 123923 104245 109202 104021 113327 1 79378 97484 108928 110838 109740 84586 33113 112641 90005 81644 83774 96175 35671 83993 C30 H51 O9 Esi-12.169999 33877 1 20075 108800 1 759294 40753 74789 333914 22381 1 22177 57951 1 44265 118179 167298 39259 70976 24639 32364 68883 30254 1 1 Esi-6.592 59840 53708 68427 118253 44780 49245 49574 56342 49824 67604 56861 67911 48747 76398 56458 62788 51665 79897 60860 73163 113706 54230 61161 89676 70337 C9 H11 N O3 Esi-1.5890002 22500 63590 49423 129864 42795 36745 65211 50349 46783 34001 1 35091 45111 63243 39899 55412 43525 59992 61263 46604 64989 54346 80280 58669 59069 C3 H4 N6 O3 Esi-2.5820005 1 42646 133900 174657 53842 115566 101273 54264 57842 109595 1 42495 106109 68000 36650 95881 45716 40490 166452 1 142811 115214 80361 66693 49232 C3 H2 N O4 Esi-0.7919999 260271 357896 301424 287243 297684 335286 311913 288436 322727 299531 63349 272222 316530 298331 321569 253676 279225 135208 320388 265638 280302 300969 288543 146726 268933 C4 H9 N O3 90217 121258 101433 72322 96939 86021 148424 82700 88687 106247 1 68904 67849 101924 63917 80804 87100 128625 63840 128760 91079 110198 123096 121287 108055 Esi-0.7889998 66962 131338 78031 78590 45683 113729 56748 108474 117626 80247 1 44483 94155 94823 92335 108773 50865 74244 110076 72149 76305 48649 86491 72110 90569 C16 H4 O19 Esi-9.947999 1 39541 218780 84938 45472 59969 66441 86009 79561 96654 1 37023 100334 45203 85866 43020 56312 174336 77198 56559 91936 122326 259803 159811 83998 C9 H6 N O7 S2 61942 115817 80411 76277 65129 101059 81946 92396 100328 91008 1 53850 93413 89299 94618 69726 58433 1 100162 62937 65329 65495 83130 1 68268 344.2176@8.429 13485 1 1 126002 1 15847 1 22808 16497 1 1 16587 1 1 1 17527 24255 1 1 1 1 15877 1 1 1 C4 H7 N O3 82206 13815 23932 13810 29052 47158 18070 28973 60164 32939 1 40113 30319 27130 28961 30829 48775 133563 30480 16720 23027 22496 22682 30373 16643 C7 H10 N3 O7 72888 127834 43153 9967 1 16485 49572 33911 37316 1 1 37502 1 1 1 34869 27572 14762 61044 16301 29287 49671 1 54208 17286 Esi-0.88800025 :4 71721 51659 40774 71212 46471 45419 47494 42003 16884 52490 1 45303 34429 53782 60737 29248 42435 89653 60618 85015 22898 52995 60213 121024 39632 C15 H2 O17 Esi-13.358 15380 1 29581 44937 1 117468 32867 41773 103772 28125 1 1 25862 15636 36493 19329 76202 22769 25811 14211 11199 20634 18576 15777 25643 C26 H24 N2 O18 53093 97327 75023 58763 61196 99006 87390 103625 46022 104716 1 35989 63785 107037 91435 74432 63797 1 109158 64674 48220 66187 99201 1 62642 Esi-0.89200014 :1 67870 57566 55539 77819 45859 52463 58018 52695 20066 54278 1 51207 42222 52250 59063 38781 53480 56243 59512 75794 26807 44796 53549 88060 34595 15-Keto-protaglandin F2? 170694 24157 73816 100042 1 157450 1 152513 60693 1 1 63356 95420 78872 78093 142658 98877 90287 150109 76648 38253 72906 1 98902 32551 C28 H11 N11 O8 S 473307 355750 285112 376197 278268 328008 344570 323016 143584 341121 1 364411 276579 288842 333954 274372 320240 1 498246 404962 202164 283667 325800 1 353503 C17 H26 O4 Esi-12.947002 16207 1 32838 30752 9133 150723 56678 38854 116086 32217 1 11401 28349 1 36683 22962 97414 7363 31442 1 1 13141 10111 1 1 C16 H2 N3 O15 S2 101727 110519 121614 122550 119257 112196 110824 119918 117060 111581 1 123036 116965 121869 125058 115834 111001 45975 114792 113066 119380 117961 119878 42611 121265 C33 H50 N S Esi-12.95 18584 8246 50258 39420 16668 123769 37802 30323 65666 27269 1 8407 44810 8164 46209 22427 152088 5997 51420 5575 6215 21977 26430 7157 1 C28 H41 N14 O15 57028 42991 49812 96607 22576 26276 69773 105736 174902 54966 1 60045 79511 33301 78396 105645 182473 115517 93622 69741 76246 89042 55419 60193 64316 > limit Esi-0.8419998 107513 110112 95975 91156 112869 104697 111620 89547 84910 115250 1 97341 87241 118660 93938 118378 117116 81520 102847 110218 93331 104371 80078 78858 61524 C15 H4 N O4 S3 68169 105541 82468 77862 69920 96629 76802 88539 97083 86864 1 57868 92194 98777 93435 75235 71259 1 113928 71451 82218 80691 98879 1 82321 Esi-0.85799986 73393 95793 97765 93076 88269 91105 89331 99968 95533 87533 1 95615 91206 88827 91644 92077 79255 126064 92077 85170 85487 90499 97386 122410 114491 C20 H6 O8 Esi-0.941 317790 395824 348201 424281 279222 351398 367229 385669 183524 376805 1 250135 263762 327545 367354 262661 279179 1 349433 381966 179833 252543 357966 1 206885 C7 H3 N2 O7 47462 73028 75860 69999 13712 65336 28505 66191 59474 60001 1 61897 59249 60027 68002 50711 61425 131930 59460 32816 32668 63666 59274 128149 58869 Esi-0.88299996 :7 90161 97103 98887 105803 97917 93740 102163 98395 83045 93560 1 107162 92780 92163 88403 90194 91954 135265 80784 98826 84889 95022 81579 136111 76406 C3 H2 N O4 S 96096 121199 104078 100186 89705 118533 101624 115755 122673 109548 1 90529 113819 124174 132887 132776 98122 42583 134464 113384 107763 100530 119655 48190 120350 360.23@9.740999 114180 1 72995 24221 1 107584 1 65573 79055 1 1 28940 277023 1 45301 42848 73228 1 52005 62015 53828 1 1 47690 1 C19 H28 N7 Esi-9.824001 101327 1 55958 18326 1 185914 1 51559 22446 1 1 28374 72807 44029 22371 47841 52484 24696 57982 11314 18055 35098 1 18677 1 C16 H30 N3 O2 124403 1 45022 43889 1 94590 1 52427 22235 1 1 20793 65305 14890 16290 32820 30714 18661 46640 17386 10590 28997 1 28227 11332 C9 H4 N O S 71657 113967 92050 92209 87313 105210 97045 94981 104951 94374 1 71899 99188 95455 96408 71014 83062 16117 97442 71121 78825 93342 94911 17942 74544 C24 H4 O27 S 90820 102519 98383 102342 111032 99018 101804 100093 89616 105127 1 99721 99258 108427 102519 107217 106058 65717 100071 100534 97684 104169 95077 60704 87854 983.9956@3.108 1 1 1 1 1 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119043 1 Esi-6.38146 47748 52015 20048 52233 48277 53396 58708 44243 55503 57732 1 53021 51771 53524 28457 54697 50103 52378 48838 48533 148989 46292 28207 48785 55420 C30 H42 N6 O7 30242 1 23808 60556 1 133063 1 33744 39269 1 1 10976 17512 18071 23507 15172 53599 8307 24441 12190 1 9888 8572 1 1 853.5678@12.919 1 1 1 1 1 205842 1 44673 188195 1 1 1 1 1 1 37149 361229 1 52712 1 1 1 1 1 1 Esi-0.8719998 90012 118048 110304 107521 94257 105826 102956 105213 85654 108969 1 98991 93876 105382 97622 102532 100540 131444 99297 97403 78306 89548 82622 125001 68087 318.2193@11.229998 24677 1 49375 1 1 123656 1 18031 41145 1 1 7700 93314 48198 1 27870 41003 15581 54934 1 42230 12095 1 14967 7306 318.2192@10.8404 28160 1 35041 24594 1 50220 1 11309 25963 1 1 12692 111094 12285 1 11539 21356 1 29216 19592 22416 1 1 20832 1 246.0562@6.283999 113134 43747 18526 1 1 17335 61451 56641 23443 1 1 1 12355 11757 1 31522 1 1 23362 110886 13429 85880 24994 41997 12652 C9 H2 N4 O7 S3 143990 174328 94813 153153 64565 169423 138563 183037 174616 153063 1 64844 165833 161797 160991 169439 120251 13337 176036 142671 151566 82339 169753 15523 110531 C16 H27 O20 S 123125 80647 91414 98428 101623 81717 126683 120365 93917 426080 115873 118547 153317 120446 143485 129417 155027 322696 101450 309872 167612 135865 89511 134203 112948 C7 H10 O5 Esi-1.2479997 183652 237126 253849 220050 253144 308857 267602 249019 291959 137614 1 237910 248860 286773 233604 262431 232107 224517 285326 276128 249193 264471 150567 223123 290504 Hypoxanthine 42652 23118 53990 28845 27794 31243 44722 36568 40249 22053 1 31646 44755 29831 41524 29180 25179 77919 28230 24897 49114 39909 61304 114882 19751 C15 H4 O3 S2 63762 108304 85507 71954 77068 99389 84337 85509 91081 88825 1 69602 92207 90074 95994 62908 72957 21232 95661 68999 72759 85969 88270 22714 67965 Esi-0.86599994 58441 71002 65583 47926 41433 53035 55728 54584 47885 48691 1 49891 49025 52026 54972 66520 43905 93612 49078 63745 40847 71400 47564 95035 55854 C33 H50 N S Esi-13.358001 :1 74911 78028 167239 351118 63854 487663 286541 242636 632561 230020 38976 117428 180544 72934 268505 170361 589151 253045 273184 63530 84935 141832 159258 75318 70882 C4 H4 O4 S2 94507 125392 101267 107320 79039 114178 99048 111599 117013 102712 1 88535 111089 107127 112016 119915 93680 33256 116878 98972 99432 86291 101801 37014 104896 C28 H O 140854 116636 115388 122986 125101 124080 124148 113122 126104 118842 1 107397 130340 118551 126736 138145 130103 1 96767 131452 134440 130331 121782 1 111788 C23 H4 O7 S 112816 133262 108546 95043 117194 119832 101882 110411 113746 105713 1 146696 108887 134937 105262 99142 89766 1 132460 84504 103936 86431 103555 1 129669 667.3645@4.657 7188 1 11218 1 1 30384 1 1 1 1 1 1 42580 20629 1 1 29498 1 46023 1 7510 120807 1 1 1 C17 H26 O4 Esi-13.627003 :1 20825 16558 17298 109260 21237 153470 104440 94901 162326 94961 1 85238 42525 16851 86461 120078 262067 64577 72580 55260 46638 70943 83783 24758 51845 C13 H5 N O14 S2 61845 106346 87642 75076 93847 89028 87895 95017 79294 94679 1 99382 82844 81063 75726 75153 79465 1 126860 77664 81733 86108 93184 1 100014 C9 H12 O10 28853 79149 41908 79320 75781 56986 100814 76547 103927 56348 1 82343 60647 57520 84876 53566 54331 64604 70458 88862 85166 117110 106774 75363 92847 C5 H4 O7 124819 76742 34012 63955 32547 37262 112800 17740 76195 36866 1 1 15089 127244 1 32971 16733 13185 51126 60341 16338 11459 13642 31122 35798 Esi-0.84600013 :1 39540 43791 67207 69176 54603 53967 46904 75435 74444 45799 1 79665 69580 50079 71385 51763 42972 16177 57992 45346 73418 58745 81690 14254 102703 446.3387@13.128999 1 1 9608 15367 1 142328 12303 8301 26505 15951 1 1 1 1 25265 7978 53928 7180 12131 1 1 9025 7126 1 1 C19 H11 67071 88299 70524 85414 84505 86941 88127 85606 80398 85796 1 82127 87250 89641 85394 89953 88048 110128 180581 106452 94267 171393 116475 98747 87331 C27 H53 N7 O8 69918 90198 92919 89126 89280 88165 88088 96207 88765 87826 86923 90079 95579 106385 89488 90569 96520 129970 112794 106890 115832 114045 107789 107693 104813 C20 H32 O4 Esi-9.811997 137433 50371 185611 80567 1 266873 14432 126722 75673 39802 1 78618 104391 142759 72512 159359 275825 119387 172668 46492 83163 113610 27737 89701 41864 C7 H11 N5 O4 1 1 1 52581 1 137533 81943 30497 99252 53953 1 1 1 70718 151140 43123 87896 56988 56651 101571 48276 54974 75239 1 28855 C9 H4 N6 O3 49836 80549 73701 60115 89761 65404 88871 62122 74606 76887 1 50094 62831 86996 83986 117839 45283 114131 62489 75846 107003 87539 77064 97887 69947 C6 H13 N O2 Esi-1.288 68045 129354 148835 66460 91290 117052 130753 122162 89840 89573 1 77597 86854 195611 106945 136090 137974 216297 203133 195939 167458 227024 322841 195161 343147 C15 H4 O14 S2 98723 116348 126114 120181 113685 119122 116641 128491 134567 115643 1 126566 123599 121060 134115 114140 100162 33587 123165 109012 120050 116924 130657 31104 130595 Esi-0.8439999 57908 58439 83407 83542 74699 63778 60407 87682 87331 64095 1 84027 76125 67171 86377 70093 61143 17860 70295 64677 88436 78512 101133 18260 102634 Esi-0.832 141196 109354 105371 81906 51194 78987 75122 97382 67520 76312 1 46636 67463 69935 84118 72783 27932 635806 94087 88010 49333 57630 64239 458754 55618 C5 H7 N O3 Esi-1.5449997 148531 47969 129636 37767 18856 137561 39128 102160 116595 40930 1 71087 121650 98529 75981 104106 132937 77877 107892 56427 68229 76272 68924 63195 37308 Esi-0.8549998 :1 112739 115856 106204 105953 103139 110350 109916 103098 101011 111387 1 98365 105336 108949 104949 109815 93353 67399 111193 107016 96279 102600 99340 67865 82763 C20 H42 O4 S 158842 104397 66128 70553 222582 191115 244683 96460 281869 824961 1 193186 63974 1 726278 186547 255195 257350 113575 76064 239978 338651 215907 178203 167738 C17 H24 N3 O18 Esi-13.364002 36893 36011 68786 84272 43361 83777 105294 67439 100211 59391 51620 45945 63826 42178 65095 52644 96476 57599 71738 50880 38863 69933 61591 45386 57480 979.9847@11.008 1 1 1 1 1 23294 8843 1 23015 1 74337 1 1 1 1 1 1 22137 1 1 1 1 1 1 1 Malate Esi-0.9459998 60996 69663 49696 58278 46748 41709 48886 62681 35389 79090 1 51836 47416 92333 70756 55556 62742 101042 69550 75428 49250 47883 99354 100597 51610 C9 H2 N2 O5 S Esi-13.363004 12531 1 21815 65928 20157 188400 57233 30190 188591 35151 1 23779 29343 11322 36814 28717 100260 26367 24397 1 1 16063 16977 13531 1 229.081@14.132001 61724 202096 1 1 242425 48078 1 1 1 1 63047 1 1 1 1 1 1 1 1 1 1 135768 1 1 1 C5 H3 Cl N2 109474 17151 12514 13307 15632 19907 19952 11650 33366 15724 1 9571 17417 14277 9952 29701 18395 13268 14992 31302 47426 19254 15079 14570 24644 C17 H24 N3 O18 Esi-11.099 240849 333584 267611 298763 216525 382859 217923 233464 258807 219557 185226 142446 216074 223298 219515 234004 258971 276540 366800 280128 240239 425341 263692 260699 257367 C6 H4 N2 O3 S Esi-6.3890014 500448 588655 591290 562103 581364 540546 595931 554970 576322 619070 141456 575563 570120 553835 576595 493064 584671 528132 552821 535952 1648267 547989 535030 551360 541508 Esi-0.86300015 68221 85147 81612 77615 73789 75856 83041 81963 69867 81575 1 74744 71783 76585 71724 74248 72777 116205 74563 72378 66103 69262 70344 115112 66657 C3 H4 O3 74683 106951 108618 128092 60864 120306 75193 108464 71721 102383 1 85886 91464 115298 131290 99337 95340 72063 118403 84327 69529 95334 111288 79052 78611 C18 H6 O8 29579 104454 106118 94134 36561 113440 104683 99875 105328 22629 1 30120 60316 105568 98266 107718 106666 1 94941 95435 96616 84815 20956 1 104652 C4 H2 N O S2 Esi-13.276687 147386 175368 85189 54231 107977 41822 56832 66118 76853 42256 1 59098 1 74396 101805 74992 1 113127 90808 126279 104832 124415 77884 33959 117955 776.329@5.4770007 15104 1 1 1 1 97406 1 1 1 1 1 1 35068 28011 1 1 8252 1 16561 1 1 7676 1 1 1 C17 H8 N3 S 41512 68948 59972 46274 69507 50071 71799 48906 53215 61039 1 43741 49082 68295 76521 99214 35094 89506 53107 55613 78549 65673 60816 69982 53618 C33 H14 N14 O5 131076 77390 148174 152592 130023 130547 147010 110570 116254 95411 69285 101178 84955 32122 108470 117670 30717 116067 114886 1 88053 44768 85758 125888 85353 C4 H8 O3 Esi-3.1780005 115263 129008 93031 129140 114769 111065 124522 123434 129229 99966 1 122365 136526 133255 113049 110425 104628 125122 101778 134241 148004 123789 127327 97907 151042 C29 H60 N2 O12 54389 77608 78910 79320 80793 74600 80462 81209 75231 77086 76064 80305 79061 87343 75821 78020 90721 120999 107216 94516 102501 103371 96124 94704 97397 Esi-7.130998 39962 82625 61558 19832 47845 30275 60611 52140 62891 51868 1 38975 15538 56659 77254 44536 14931 74622 63140 76560 49811 74290 55957 27589 46607 C33 H47 O9 9295 33315 36779 1 16526 81595 32810 15211 124129 18277 1 21733 74096 40487 15450 27319 22603 54652 62549 33421 71723 25157 54991 32054 34960 Succinic acid 47871 90516 126006 97009 29183 69160 38027 54277 48682 40272 1 43065 95896 56147 64510 69445 83843 44921 91227 51028 36323 81200 47645 32310 67911 183.9956@6.349466 204528 560709 594770 546283 1 542299 1 556615 1 1 168054 575563 580412 553835 1 497254 1 1 549283 515989 1 192261 1 532087 1 707.4782@13.385001 1 1 1 1 1 99348 7400 18499 73023 8622 1 1 1 1 18278 1 46941 1 6902 1 1 1 1 1 1 > limit Esi-0.9379999 26569 32749 27195 13877 37892 40228 31786 36365 63069 41304 1 34683 39457 34759 29931 45972 34925 1 75049 25109 61262 53131 42836 1 97474 C3 H4 N O3 S2 95192 54726 38195 43971 38606 45490 55946 54505 34853 42836 1 24849 60843 42104 37510 39206 41681 1 49816 42192 23785 36341 39548 14316 31775 525.7759@3.9879994 8780 1 1 1 1 74825 1 1 1 1 1 1 36104 1 7315 1 1 1 42565 1 22403 8474 1 1 1 C11 H2 O4 S 29466 42389 36262 37573 40143 44417 40073 40737 38904 40333 1 33392 37889 42866 44608 33350 39533 90094 44926 34355 34028 40037 41964 120430 34632 C31 H19 N8 O27 S Esi-12.953002 1 1 1252653 559443 1 1176572 1 1 1 1107326 769523 1 520852 348794 185107 463530 1395871 188269 404469 1087986 339482 901779 691243 285376 1372913 344.2349@11.810999 23790 1 1 1 1 183811 1 24045 53838 1 1 1 1 16383 1 15622 52281 18466 19658 1 1 1 1 19894 1 C5 H10 O5 221533 95075 41449 31935 33834 96122 69903 58569 75977 37343 1 21782 43541 52149 29563 115797 27956 12867 56895 100981 83032 92786 36917 17804 64590 C20 H30 O4 Esi-10.205001 102659 1 40366 29727 1 107061 1 63129 32955 1 1 25678 40932 52824 23886 61465 118275 21767 46430 18118 18450 23251 1 42671 1 192.0631@0.9849999 144459 98620 12265 1 1 59338 51393 1 10495 1 1 11601 10035 1 1 37263 1 1 28585 15084 91278 112294 32659 6640 1 C30 H35 N7 O2 13948 77838 41209 9450 54233 90617 65218 20534 117928 63570 1 47605 46067 17966 41902 21881 41793 26799 22367 74736 36655 26689 53661 33748 33988 956.978@3.020875 12077 1 1 1 1 63512 1 1 62270 1 9484 1 1 203172 1 1 10422 1 25093 1 1 1 1 185371 1 487.3107@4.379 8560 1 34182 1 1 7702 1 92256 1 1 1 1 34126 1 1 47750 1 1 10468 1 7941 1 1 1 1 Esi-0.9459998 96350 116399 117767 128701 100118 96982 108569 113537 53110 117473 1 106651 93745 103488 116202 55289 76336 101471 117824 109655 62869 86678 109036 119774 77457 160.1099@5.532 106859 1 1 1 1 7902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.84300023 :1 51607 53982 78132 76763 67505 65523 60423 81882 85700 59499 1 83754 80395 60805 80665 61050 54943 7891 68339 59161 83816 73703 90773 8176 107188 C25 H35 N18 O7 11590 26453 23381 47757 30393 76367 48664 42593 107905 31503 1 25869 25110 22056 39130 34142 61983 50356 41941 24012 47235 40067 47308 21617 40231 2-Hydroxyglutarate 49212 43870 24030 37852 15138 37024 23284 26694 35157 18717 1 23767 22320 25375 57428 81748 104713 8033 33989 37400 46292 44074 25528 12757 25485 823.4651@4.105 12845 1 25971 1 1 106000 1 1 1 1 1 1 25498 1 1 1 23675 1 22072 1 8546 29946 1 1 1 1613.9818@2.346 1 1 1 6308 1 11759 1 45227 1 1 1 1 1 301743 1 1 1 1 1 1 61601 420161 1 209449 1 C30 H44 N S Esi-13.9819975 13015 15864 17568 36757 13788 99451 27335 32886 81610 100735 13245 15139 18591 17676 26485 26024 58614 32414 25891 39607 19981 24009 23187 13572 25852 C17 H26 O4 Esi-9.985996 113088 50470 52954 54633 52045 97664 49203 50065 78077 93039 77263 48266 50977 63221 79377 63634 62545 68286 67062 91301 67013 77124 68132 71628 64362 Esi-0.88699985 :1 71459 69803 75612 76023 67367 67767 76710 68615 66522 70433 1 75468 68593 68341 68212 73200 69643 113169 58664 73727 66182 69582 62236 108382 54214 C7 H10 N3 O5 1 62814 106699 54444 23935 29664 19699 68741 15954 91662 1 58021 85055 52641 42591 62577 109571 42226 38252 1 95678 95279 184012 8368 13958 C3 H3 Cl N3 S 82526 419370 58011 49781 1 160765 1 67766 123265 63636 1 1 89723 211482 37241 261155 43316 392308 65519 406151 184408 322190 396115 108195 1 C3 H4 N O5 S2 54139 50432 83124 76230 65520 63290 54745 86023 90925 57312 1 94008 80687 61262 88966 64696 53437 39011 70295 60143 83035 64744 95848 46147 110352 C14 H2 N O17 62782 76485 67204 61335 70063 70338 70810 55412 52582 71024 1 57757 58788 68537 61509 67296 73035 101053 61012 68829 62048 69528 57353 106526 49378 C16 H12 N3 O9 51106 54713 50071 28892 47919 64440 53553 58647 105650 62578 1 25620 69497 87442 57929 76821 44060 1 76102 39735 77338 69912 73022 1 94942 Esi-0.8400001 :1 42546 47425 33406 31883 43245 43237 47794 27312 28579 45978 1 28904 31308 39339 33263 42957 46978 111955 37800 40197 26991 36045 21246 108949 19428 C26 H37 N7 O2 21963 16919 43861 74113 8365 109607 24622 28378 64867 13001 1 20721 1 10529 34597 42288 53164 22360 15683 54468 1 20747 13625 19491 17234 Esi-13.354003 7228 11979 27058 59455 9839 94657 53358 42218 116613 34412 1 21248 33436 11661 41190 29505 83003 27080 36847 10043 11310 19942 19511 1 11930 312.2298@9.666 80480 1 1 1 1 89629 1 27487 19288 1 1 1 20093 10189 1 30475 28497 1 46838 1 1 21923 1 1 1 C19 H21 N7 O18 45763 88302 33662 66152 72723 38085 103118 44459 67129 129951 92751 72845 28010 58647 1 99291 99301 92885 54778 85983 148692 140489 108727 75232 149163 Esi-0.875 68783 73533 70212 81560 57902 65599 74960 70757 42609 69989 1 63633 55729 65438 75359 59642 60443 43260 71577 79833 44479 56758 66502 67392 51901 C15 H6 N5 O8 S 12833 79237 50158 18262 41079 91390 59195 82319 98590 104436 1 12281 48154 88156 54364 54550 32237 1 74303 18423 42119 47030 84797 1 36490 Esi-0.92399985 :1 717214 600773 244693 281791 352558 322917 262967 245051 153061 219750 1 246633 274646 405147 272520 296780 239345 876843 511928 343394 387763 258380 221858 458757 500640 767.8425@5.0110006 20122 1 30216 1 1 77180 1 8975 1 1 1 1 107759 23907 1 1 12058 1 34778 1 7368 15387 1 1 1 C27 H4 N2 O26 S2 76448 74654 56603 53321 65987 61966 77160 48700 47474 74213 1 52126 46242 74880 55478 75844 79955 99425 62994 74519 49257 61840 41014 98955 34723 C20 H32 O3 Esi-11.753001 618728 21485 373944 134295 16963 393818 8165 428496 359460 116147 1 158035 484377 349990 50250 473312 185749 321346 530304 61061 232929 237234 86482 100603 107841 C11 H14 N O7 28264 86943 64174 91694 57804 66471 70735 73497 85703 54514 1 44922 65429 88012 61175 52094 46696 98184 63563 47487 86146 73224 73438 82498 75589 C22 H2 O14 S 17425 1 22778 46435 9244 73577 26845 33749 85292 29216 1 1 23521 1 23972 1 46825 12575 20029 8756 14653 17979 25477 15702 1 C8 H7 N O5 105227 100728 25380 44441 107846 49044 56412 29549 19363 25596 1 14419 58481 19485 51489 50682 13896 41466 42091 69895 33859 79574 69089 37028 35960 C15 H2 N2 O15 S2 51269 69550 49667 48541 51144 53092 61449 45806 40172 58269 1 47537 43602 55076 46765 55287 55091 100186 49597 55800 41818 50588 40624 105520 32429 C16 H22 N6 O4 75510 72678 81426 85470 72607 76449 72865 81927 73778 76964 61582 84997 84830 95645 77975 75519 85816 85333 97540 75950 87725 85416 98949 94574 91551 C26 H2 N4 O23 S2 71958 76959 54784 52601 67101 62803 71097 43527 47182 72066 1 55713 48793 65412 60354 71333 73855 83885 56713 72302 53839 59550 44177 82883 32820 354.2398@9.248999 102670 1 44966 1 1 103785 1 39932 22154 1 1 18208 21207 45181 20076 48997 67086 23896 52176 1 1 24908 1 22552 1 C9 H2 N O S3 66613 39096 35302 57135 38856 41725 40890 34272 12801 34844 1 38809 28331 46546 49222 27421 38642 63359 44366 63177 20474 37208 35700 86121 30279 Esi-0.8419998 :6 57887 61953 76682 74413 72240 72040 62352 80186 75653 63176 1 84935 82024 72456 77469 74783 60568 25247 74515 66104 80474 74273 80259 23734 74658 C9 H2 N2 O5 S Esi-13.363004 :1 13033 1 21173 63308 19603 184964 57233 30190 186209 35188 1 25335 24878 11212 36775 28717 100993 19663 24397 14852 1 19330 16977 1 1 > limit Esi-0.83899987 14433 17290 10616 8414 12255 15070 14038 6671 9436 14245 1 1 8273 12802 10162 12945 15627 85026 11884 14894 7512 11265 1 86462 1 C5 H10 O3 Esi-3.3429997 65322 57546 63963 118230 55783 56657 66943 63014 38889 58205 1 77836 52748 109503 44117 61210 45757 100158 51988 55631 57353 65075 74499 52894 61085 C4 H2 O4 Esi-0.8419998 :1 1.20E+07 1.22E+07 1.24E+07 1.25E+07 1.15E+07 1.19E+07 1.19E+07 1.18E+07 1.11E+07 1.19E+07 1.93E+07 1.20E+07 1.28E+07 1.15E+07 1.15E+07 1.24E+07 1.18E+07 217759 1.11E+07 1.15E+07 1.18E+07 1.18E+07 1.21E+07 3289094 1.13E+07 C4 H2 N2 O4 90839 66087 73739 75177 64235 64562 63063 67790 50455 69734 1 61791 66907 79318 61107 59344 68002 50695 69836 81451 51508 62670 71587 55136 55279 C5 H7 N O3 Esi-0.9099999 57585 87579 83537 69600 36120 84381 48036 79834 85927 74561 1 65136 74424 78255 93792 70902 80194 103241 86734 52557 51633 84902 78037 85101 88536 C8 H16 O3 26354 13837 94672 32047 27212 84073 19571 23127 42889 24889 1 18909 28169 44156 21628 30828 43267 14312 34621 10273 18277 33188 24698 9158 13980 C31 H9 N9 O10 S 60002 59977 66189 73365 51199 56723 57185 70639 47821 54155 1 83367 57730 46367 72030 51544 54973 1 76821 67836 48345 52080 73585 1 81950 Esi-0.8799999 36312 42625 32881 32047 32984 35857 39640 26766 21691 33304 1 28903 24272 34546 28408 33510 39414 109800 28251 40504 23491 32191 24521 99207 16670 C25 H24 N3 O16 122199 152501 89123 74769 50470 126926 108008 67346 65362 102374 121723 102326 66429 91635 101965 54607 356127 91208 168639 103708 102683 159549 63335 98822 76034 C29 H23 N4 O17 58139 82694 74114 84841 93667 61346 110291 69270 104520 99198 98700 75038 69145 115958 71430 71857 95532 108781 93826 86829 109632 106499 106605 75837 101482 C31 H6 N O26 S3 71714 76455 51934 52717 63908 61255 74263 48165 43137 75574 1 46637 45755 69100 51828 69328 77868 103868 61589 73367 47620 61975 35982 100760 31514 C30 H44 N S Esi-13.627999 18687 17835 17451 65502 15356 80868 60976 57634 72516 57746 1 42588 27081 25198 48411 65473 122799 58350 53472 43497 48105 62457 58609 21994 51539 956.9773@2.3954618 1 1 1 1 1 137129 16008 252105 56752 41998 107682 1 1 66032 1 1 1 13208 1 7555 12859 248318 1 246408 41278 > limit Esi-0.908 115261 63722 161223 178061 90673 241185 191346 91859 196618 117933 1 65968 205948 1 133866 126149 1 1 108226 296418 42093 22137 20291 52205 1 C18 H22 O16 189101 160376 110155 164189 122597 418870 172571 116940 150965 165874 119029 70277 168994 109855 181307 109585 121653 63448 196831 167144 213205 124964 216112 110100 198042 187.9119@17.742 94907 1 1 1 14472 104667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C5 H7 Cl N O4 S2 426443 528339 460433 448812 359304 511130 450484 513500 504941 471127 1 393924 464332 482828 484863 506317 391479 160851 508920 431722 413214 367977 458038 165924 458610 > limit Esi-5.286001 89914 34742 34568 1 1 84226 76368 11872 29080 42624 1 64094 60160 45214 15281 23918 16486 16160 43630 98732 25099 27517 51403 62019 30259 C8 H4 N2 O10 S 78267 81828 80089 81739 81332 82089 83848 79217 77044 83747 1 82238 77112 80087 77731 79824 79082 97784 76793 79245 75922 73309 69911 100007 70766 Esi-0.88299996 :8 53219 60994 54761 56047 52099 52699 58390 48694 39421 53980 1 54034 43063 55076 46221 54624 59337 100732 44569 61284 41915 49705 39853 105392 32932 C21 H25 N10 O16 73440 72278 57207 49844 58394 60432 88073 42400 56814 54543 1 63803 49232 62832 55127 60496 52196 63050 98467 96289 79748 93747 84921 70579 76245 Esi-0.8419998 :7 91819 100528 98947 99756 104931 95924 105166 94144 93336 104579 1 101452 94332 106465 98041 106432 103211 62643 95673 95852 92714 98046 87520 59321 78823 C11 H2 N O14 S 83122 131149 109039 104703 94441 122310 107361 126532 132291 55589 1 97155 55512 115118 67980 89881 87918 17014 126097 83271 103433 102367 121020 16632 110117 C24 H2 N O21 S2 49949 49319 65979 65464 58890 58775 54455 64386 73450 54723 1 72893 70076 57081 71401 57800 50556 9414 62818 53286 73772 60593 75602 12302 82992 958.9762@2.44575 1 1 1 1 1 46468 1 82876 19500 23875 34640 1 1 58059 1 1 1 1 1 1 1 52699 1 30951 1 C7 H2 N2 S2 73563 93534 76398 75227 61922 89031 77380 87633 91836 84751 1 65713 81273 80387 84429 85120 65667 22578 80840 76861 75816 66140 81158 28523 78275 C18 H5 N2 O10 48515 47932 63773 19879 36590 105210 41424 97446 102552 65837 1 13729 62858 67704 46493 51723 37655 1 70732 15603 45069 43963 84415 1 52816 Esi-0.84199995 52269 56782 71790 72601 61317 68622 58872 81056 83606 59573 1 83264 81416 65642 76384 62027 52310 1 72252 57779 82263 70761 83438 1 105422 C8 H2 N3 O5 S 85568 93144 87269 87900 87938 88986 90335 88130 89007 90746 1 88134 85420 89970 85421 86774 83257 91646 82745 85717 86129 89415 82765 94238 80420 C41 H13 N3 O6 S 17982 32517 38748 19964 36317 46197 32472 51619 78025 38090 1 29194 48862 43410 43249 37410 29949 1 64614 20487 59767 49216 61390 1 94505 C13 H10 O10 S 13651 17221 84587 59370 13075 16487 13754 73339 85797 15222 1 69724 52641 11463 82635 13970 19221 1 16389 12355 47118 12257 92663 1 85585 C25 H4 O26 S2 66073 72009 68261 68173 69405 66989 69833 69138 66480 71086 1 66853 67738 67844 67685 70548 66203 87280 64558 65420 64714 66498 67625 85929 60702 C22 H34 O3 Esi-11.621001 284779 1 202139 73664 1 250011 1 76739 55923 1 1 37040 380125 17062 32453 70709 87390 24262 72933 51017 68425 39912 1 77809 17724 C12 H2 N2 O13 S2 61708 76125 63097 57530 57657 67585 69125 54702 49491 69271 1 54240 56665 66008 57069 64415 62866 100005 59209 62662 49355 54743 47671 101753 41423 C31 H2 O29 S 56002 59593 38655 37331 48815 45972 52611 31377 35338 58017 1 34322 35278 50930 43923 55163 62024 80553 48581 51970 37932 50786 26441 80592 22208 C20 H30 O3 92795 9184 59741 20733 1 99624 1 42468 17118 1 1 19994 85339 10174 22711 53435 51648 16909 43938 22941 1 18858 1 48928 8868 331.2102@5.308 52636 1 86495 1 1 21586 1 27314 1 1 1 1 14757 1 1 28723 1 1 1 1 1 1 1 1 1 C9 H2 N2 O11 S2 68617 84112 71772 71344 75932 73244 80422 71644 64072 81084 1 66602 67991 73788 68120 74895 66817 104353 71363 71471 59083 70460 62779 98536 51723 C27 H16 N13 O8 10528 40811 30900 9795 29940 56058 34832 49862 83465 54511 1 1 33913 64541 36619 46635 25834 1 53694 12995 47210 44900 50254 1 46557 Esi-0.8719998 :1 73514 96879 86524 80923 77754 84728 89189 89325 70499 89274 1 77089 72755 82069 74880 79807 79148 101696 79577 81511 66923 69802 68514 102479 59084 C8 H9 N O6 18971 29304 28805 26184 19903 22340 24382 28019 29015 27957 1 22789 23703 29802 34174 38410 20625 51321 25847 21351 32676 35518 31717 40818 31009 C18 H8 N2 O17 S4 45798 79691 55711 48135 43927 68572 55042 59409 54921 59665 1 37425 50342 64249 58063 60876 52132 24574 66251 55255 44862 47976 50260 25536 38861 C9 H7 N2 S 51217 71756 73255 77356 47158 81935 56113 74074 54555 64976 1 58700 66851 70375 86502 73964 69948 45262 81994 54710 43863 65314 73106 47989 47463 C54 H7 O3 32611 71077 52237 28159 60841 66644 59879 67923 82891 68279 1 39429 58514 70525 57021 64931 53838 1 96961 37619 76657 71753 73358 1 82747 C6 H2 N2 O7 65390 77329 62423 77591 65409 59307 87676 73165 66922 83126 1 86006 69724 91634 73531 57341 75706 85581 107020 88984 90514 83127 71689 80528 29823 256.2398@13.351 1 1 1 13450 1 94861 14720 11213 52228 10369 1 1 1 1 7687 1 26325 10883 10687 1 1 1 1 1 1 > limit Esi-0.8419998 :1 79868 80633 68354 67709 82554 73826 86137 62550 62311 81225 1 65124 62959 89986 68873 86052 87067 68445 76689 87258 64377 76394 54634 64985 43779 C23 H4 O27 S2 73514 72999 75189 72042 78304 68264 79954 73914 69906 76327 1 84502 79940 83101 79452 80217 72464 23620 77615 75238 80880 85029 73253 28610 69561 C27 H25 N6 O20 S 125352 59889 293140 298513 51318 139603 254950 254947 216471 254245 60308 264154 239686 48568 51514 258861 281893 75736 100323 88578 67844 274793 214619 300649 48456 143.9603@13.810999 1 1 142655 1 1 94591 1 1 116818 1 1 79379 1 1 105071 1 127025 1 1 81585 137859 1 95685 151614 123425 C3 H13 Cl2 N7 S Esi-0.9459998 112803 338696 295927 347523 258287 253272 252991 328350 110820 351089 1 326574 213215 236678 379858 150327 318474 243442 333304 245175 102564 211710 305247 309467 177914 Esi-0.8570002 :1 45121 53782 39459 38031 40512 42243 46187 36113 31179 52169 1 36019 35650 45478 33721 41734 46695 93538 41814 45359 33358 38972 30050 94306 23429 Esi-0.8549998 :2 86361 92353 82769 77471 75320 80145 88525 78800 73480 85173 1 73386 71291 82799 79994 80482 79219 56229 82514 84585 69096 78832 70808 56481 59695 C23 H46 N10 O2 1 11907 17300 43218 1 89081 31654 30474 81728 25988 1 10967 21699 8318 27330 26136 58401 25170 24880 1 13638 16681 17750 9945 1 C5 H9 O8 105790 22110 63037 16004 9287 85473 17271 44284 65980 26251 1 34145 48269 55034 34159 41124 39696 46891 53636 31886 31144 32126 25504 37327 19744 780.4234@3.795 18017 1 23483 1 1 92369 1 1 1 1 1 1 30168 6574 1 1 55434 1 16665 1 1 49700 1 1 1 C8 H12 N4 O3 Esi-13.9819975 45879 75947 51873 46670 60573 78185 94630 47339 87695 122927 15954 43124 37576 40615 50643 52088 81607 82306 43308 29005 38634 60570 56513 34462 54960 C9 H2 N2 O5 S Esi-13.981998 18535 15013 12445 9411 1 81636 17711 21141 49746 8662 14002 11710 8485 1 14444 1 17422 11113 15450 1 1 10489 9207 1 1 Esi-0.86300015 :1 60715 74744 64704 51818 59173 60438 67252 63013 48358 62490 1 55920 53477 63263 62620 51622 61256 97637 65006 68832 47752 55547 54229 102602 44991 C28 H43 N13 O20 42388 33045 34202 74175 19095 9085 53238 78895 129579 39710 1 46435 62297 27458 59149 77995 131923 91930 73824 53355 61143 71299 49051 45241 57580 C17 H24 N3 O18 Esi-11.319 :1 218930 227311 145251 214259 94019 266473 144984 166610 113170 167960 92517 84811 126201 140587 174105 159796 98863 188871 226273 257886 89889 186463 264055 107770 145683 C26 H4 O29 S2 75317 77250 77455 72254 86728 80221 85121 74420 70725 82550 1 82019 80551 82974 76082 86057 78250 31705 79242 83774 75571 82062 67772 30176 59763 C3 H4 N6 O3 Esi-3.1740005 69894 75253 80007 69884 86403 78855 83345 79144 90780 59171 1 51955 90062 78907 72848 82584 83395 98076 102887 97014 101885 96838 77644 84789 92787 C8 H11 N4 O9 61034 78529 72172 96194 45503 57097 53803 77157 19867 76797 1 54797 48967 63918 87491 26379 83755 57978 99639 96716 18708 46416 90244 92949 42128 C17 H26 O4 Esi-12.951003 14589 1 31752 30898 10291 193498 36195 27614 110804 19002 1 9607 29758 1 12303 23439 96754 7375 32457 1 1 13141 10945 1 1 C27 H2 N O28 S2 64731 68650 74581 68068 76930 69546 73481 74837 67620 73044 1 78677 75001 74473 75710 76721 67167 64848 70930 69152 75111 73415 66047 68400 64955 C28 H20 N6 O16 60462 40720 57993 57565 38205 84637 52862 61914 87270 53895 40668 47380 60726 39805 55605 55302 62317 55950 57371 32640 52131 43284 42386 41200 51967 360.2302@9.574 146662 1 81138 22104 1 158243 1 66765 60816 1 1 31610 253617 86974 1 44982 71727 1 48232 1 55769 41498 1 44124 1 C24 H4 O26 S2 45111 47307 67763 66148 56871 55014 54719 70372 70408 54492 1 67056 64262 56086 68804 57162 52125 9895 62578 53631 70313 60600 73718 7267 75960 Esi-0.84600013 :2 27079 29571 49058 50121 42748 37261 36483 50464 58571 34357 1 62656 54592 37220 52893 38073 31981 10556 40775 33296 57456 46343 56325 9307 77781 C4 H4 S3 Esi-1.0260004 250655 172519 159336 233351 213857 148576 163655 153351 129811 180361 1 314392 231395 133425 157971 168813 213075 179494 155569 185098 183276 242204 141099 172382 169820 > limit Esi-0.8419998 :2 52739 54533 70962 71470 66318 61746 62701 70003 72623 62072 1 75834 72627 61592 69355 67064 58486 15177 64156 61383 74920 70695 72796 14944 70943 Citrulline 88694 98034 19400 83195 48635 43833 89914 70226 64498 65182 1 40251 52725 64411 42779 50936 45293 65611 52092 65264 35776 49194 64203 70029 67418 C20 H N2 O7 32315 45006 45938 29924 45059 46828 43175 50189 57099 46998 1 47794 50801 44270 45261 43433 54707 1 74422 40934 54291 52647 54088 1 76961 C10 H N2 O4 S 15801 40570 34962 26100 21416 41913 31506 47114 45882 43121 1 17427 29224 36919 36848 23240 21596 1 35548 19374 19695 25017 46784 1 25066 C5 H9 N5 O S Esi-1.2299997 205868 441270 557253 499061 289528 340751 326680 481967 290706 346236 1 304981 459144 333880 496254 489760 670725 358205 510351 405855 547175 546861 640326 402680 401966 378.2797@13.977 1 1 1 26762 1 73267 1 13031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H45 N11 O14 36309 1 22666 79970 1 145859 16430 50055 91535 15754 1 21355 30448 21578 25728 47558 101731 38783 32217 23546 1 33195 16896 21861 23422 C48 H21 N15 O9 11369 29196 19188 1 28319 43435 26495 35998 87918 38398 1 9286 33502 54075 26333 45214 24229 1 62593 11266 62223 45457 43130 1 74816 317.9548@13.981002 6478 1 16150 23187 1 69423 9131 13540 46923 23681 1 1 1 1 16315 14996 16641 9090 1 6396 20618 11530 1 1 7082 Alanine 47469 44811 87300 23248 36079 116371 66401 33756 20663 37903 1 39495 86291 47804 28306 93753 59841 81584 78487 21722 47942 28265 35512 45727 23826 C13 H8 Cl N3 38960 60316 61637 45910 66862 51778 68471 52867 56772 56666 1 36634 43571 63922 67740 97298 37458 90653 45938 60474 80732 68077 60857 78561 54764 302.2246@11.753999 27405 1 29974 1 1 80257 1 18995 13414 1 1 1 19024 14085 6144 18703 46672 10903 22744 1 10070 11801 1 11353 1 Esi-0.8549998 :3 67774 66558 83912 79539 64642 70507 66313 87271 82337 66618 1 77292 76159 63541 80035 63068 50553 9535 72826 65727 75730 65642 88724 9332 87196 C27 H2 N3 O21 S2 65504 66248 51506 47986 61558 57845 65670 46241 39344 63976 1 46379 45369 65090 47478 58668 68578 75664 56161 63296 43783 56722 35837 72414 29105 C18 H30 O3 Esi-11.369002 :1 67345 22810 136875 139237 25884 111289 31523 55191 86395 45088 1 50078 278208 42558 48742 50050 136642 96583 227675 70945 35067 39308 15109 167262 17916 C13 H32 N9 S 227799 1 161899 59247 1 238700 1 71609 53792 1 1 30622 307384 1 28511 68126 70159 20117 57608 41573 55651 39821 1 64564 1 C13 H13 N10 O4 26119 9413 38996 6946 1 80897 6160 21983 27940 11750 1 10815 43279 27060 12644 33508 54140 37585 49816 1 12122 19225 15694 27983 7018 Esi-0.875 :1 72741 76350 64476 73812 56392 63495 73878 62208 35032 65631 1 54805 48898 62572 62170 50636 55018 77138 65768 72977 36959 53679 62848 93517 46274 Esi-0.89599997 80465 71971 64615 91446 53358 62653 73829 59652 24231 66304 1 52934 46974 66321 70121 49344 55328 61045 71402 85448 30305 52599 60457 95689 47029 Esi-0.84199995 :1 41666 44488 60653 60808 54070 51803 49588 69001 67809 49976 1 69088 66095 55472 67611 52069 47917 1 57329 53260 66743 56519 71808 1 83476 > limit Esi-1.2350003 :1 33701 63048 78373 73390 38269 45727 44084 67478 50279 41751 1 45269 69462 52536 73768 80981 223085 31657 51523 50108 104159 74436 75801 57680 58537 158.8787@11.6449995 1 1 1 1 1 104871 1 11447 70370 1 1 1 1 22943 1 22311 21932 1 1 1 1 1 11168 1 1 C11 H7 N5 O12 49223 55610 53067 37033 33828 30541 68865 20329 50335 42821 1 42478 27258 35272 42870 60568 41193 41962 75821 80143 40780 39467 62798 50598 53033 Esi-0.9969998 :1 65543 34314 48055 81872 52691 27277 44669 28345 17552 28893 1 76012 37059 18947 26506 27362 55208 80205 30426 84981 34428 40986 26310 72312 39136 668.3082@11.697 6957 1 1 22506 1 90301 1 18357 45556 1 1 1 7312 1 9750 18022 45413 1 14580 1 1 1 1 1 1 983.996@3.054 1 1 1 1 1 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 117991 1 C58 H111 N S2 55850 57479 67721 66159 66045 59589 61927 72964 62638 63711 1 75750 74207 67491 69201 67210 58352 22054 65299 65107 68949 67107 65917 20878 62260 Esi-0.8719998 :2 74306 92825 92095 81923 80300 81466 94175 87993 76378 86605 1 78698 75921 77475 76999 75675 78238 91009 82503 78920 67460 74382 75739 91432 65565 C3 H6 N3 S Esi-0.9249999 24449 52185 45605 44987 45641 41113 57669 40140 36328 47619 1 34466 27513 44422 48985 58480 39932 51980 46017 37844 37156 43470 47564 55180 32871 318.2191@11.227 61263 1 62824 1 1 116413 1 19129 21440 1 1 7700 206607 48198 1 27870 41137 15581 39099 16302 40847 12095 1 30626 7306 C22 H45 N13 O2 S 18486 1 1 109229 1 172987 14483 104631 130335 1 1 1 57942 1 44265 118179 76424 21917 70976 1 16776 68883 30254 1 1 302.2245@12.469 1 1 1 1 1 76230 1 1 29342 1 1 1 13196 1 1 1 8219 1 1 1 7209 1 1 1 1 C4 H8 O3 Esi-1.5699998 :1 168710 236707 419006 313502 746837 196484 451800 149367 475938 489050 110625 491351 302173 412637 511033 303269 1001108 1489465 475050 222537 184686 279522 433071 316978 249192 C19 H28 N7 O Esi-7.813999 182033 24678 113538 77693 26273 241156 1 174855 87500 46825 1 87490 105381 137792 51179 171491 224708 105954 112273 49493 50835 92674 36133 69491 39505 298.2505@12.571 1 1 1 26518 1 95019 40923 1 51394 13374 1 1 1 1 1 1 38900 20226 18825 1 1 26967 1 1 1 C5 H9 N7 O2 88100 82490 88440 34511 66697 94102 99898 74927 68365 69337 1 27668 26861 54544 63577 66489 68885 25429 114884 121377 19685 121580 161786 103406 66588 241.9859@4.2249994 62399 51984 19914 43585 17466 20456 77866 1 44051 17880 1 1 1 85077 1 19880 1 1 27403 31773 1 1 1 18583 19269 C21 H20 N12 O14 S 74381 82947 89702 85566 59649 124976 57544 50001 89303 46367 75338 52410 41891 53466 52879 50305 73508 62637 88812 82900 42485 78338 82217 50742 56138 Esi-0.838 89506 67901 51465 55393 45842 56802 60781 51836 55605 55936 1 40134 50955 48557 45637 51825 38560 26967 55184 64861 48650 38765 51528 34758 46811 318.2193@12.023 1 11610 1 1 1 90039 1 1 1 6972 1 24210 1 7503 24729 35823 24327 11474 1 1 17103 17068 1 27133 1 C9 H13 O7 28569 62899 87076 70397 42789 44244 63611 52965 51451 39072 1 32985 77382 63647 35503 48287 46822 82926 57079 65276 78545 62320 72893 53992 71842 280.9967@4.5499997 82450 10767 31215 1 1 40176 28065 1 1 13243 1 9805 12864 38444 1 10633 1 1 1 28008 1 17369 28751 22337 18270 C32 H21 N8 O27 S 124471 129833 90600 54944 59484 117948 51259 82500 59878 160718 1 52747 44070 91918 143495 98651 92884 28064 45335 32054 50577 99713 30964 34686 26953 C8 H6 N4 O2 101010 59266 57772 49017 36541 65108 69366 51962 39623 47065 1 45327 61942 70400 49879 82600 50915 39076 62004 85658 54867 62092 66561 52643 48813 C9 H22 N O7 7145 22132 30588 5636 21115 31185 24477 29596 14573 13817 1 14688 30321 47823 28354 31511 41531 26343 51583 34031 37396 70335 79079 26232 81730 C20 H2 N O11 37497 75130 69954 64464 47264 75111 69023 87656 65330 79769 1 34749 50705 72549 67631 46981 47184 1 69475 54967 36045 45367 85056 1 38533 C34 H6 N O28 S3 48099 42277 29964 31492 36593 36016 43988 25186 24267 45433 1 26322 26586 39825 27922 41944 46955 81044 28735 40812 26036 39216 19883 79569 12480 C25 H46 N7 O3 Esi-13.627999 50303 37145 61925 186280 36207 163144 194593 171082 245627 175415 1 156865 80820 46085 156712 213740 399270 18667 184489 141089 129386 151103 191241 64576 115542 C6 H6 N2 O6 S 20017 14553 11833 18104 12411 77672 13876 13554 6896 15939 1 11801 12439 11457 14133 10294 10101 10659 15514 16058 7255 11366 14926 14851 10277 C6 H9 O10 S 66490 32876 32732 1 1 62039 54807 13188 28980 40743 1 35622 37574 48148 20980 25633 20925 21976 41449 81758 24720 27802 54157 58013 35399 Esi-0.8950003 :1 80736 75699 68857 91588 49660 58587 73079 62008 26443 67847 1 57240 44267 57866 75957 50311 56463 58400 72709 87175 30812 51690 62254 92132 43785 C28 H4 N2 O28 S3 66409 66875 60976 61462 73977 64065 70371 63264 60115 71623 1 66165 61468 77894 65201 72900 74553 31902 74015 76158 63570 71579 54107 32484 46847 Esi-0.86499983 :2 26236 34735 41547 37049 34008 32388 34879 39661 31680 34102 1 35586 34038 32025 33829 31902 30126 15599 36729 31957 28287 32521 36895 15002 31070 C32 H6 N7 O13 S 33103 30846 32032 26041 36750 30211 29765 36000 39786 30077 1 68803 38058 25084 28931 36156 36844 1 61128 33150 49075 43280 35324 1 81832 C18 H2 O13 38746 77672 64393 46840 66711 65387 64764 70467 65655 65951 1 55388 60077 60918 63602 58814 57047 1 79190 45499 61254 63103 70939 1 63703 C7 H2 O4 S2 50752 30111 35078 50803 33608 34785 36505 30408 12402 32926 1 36701 27516 39918 42866 28526 43785 59243 36101 63890 19312 37115 35974 84615 31262 Esi-0.8719998 :3 71065 92348 87960 80464 80335 80676 81043 84156 75416 85393 1 77798 75856 72740 73631 71252 69071 86046 74936 72042 67754 74691 76540 83724 60955 324.2661@11.979998 26668 1 11092 24953 1 73781 1 23754 13800 1 1 8871 14018 1 6796 9119 17381 1 9037 1 1 1 1 6355 1 Esi-0.85400003 :1 62608 62188 72199 73509 60622 68145 61047 76162 76771 59854 1 72312 72524 61955 72814 62200 52214 10784 69651 61154 69747 60217 82947 12361 82439 C11 H4 N2 O12 S 59694 69277 56108 53940 56347 58702 62587 53847 51560 57359 1 58595 47067 58447 59154 60842 62420 75903 53239 58177 50736 57615 48054 80995 44920 Esi-0.8400001 :2 43319 47346 27839 29905 38228 34960 40844 28858 26386 43160 1 25856 27514 37453 27371 41013 46339 71091 38725 37890 28713 38561 18162 68469 16641 C28 H16 N13 O3 S2 16810 30066 46727 24761 19769 41456 26939 65029 62342 36571 1 23232 43083 37709 54106 24478 21406 1 45559 19355 36128 28839 72780 1 65225 Esi-0.85400003 :2 64571 57188 74599 77237 58859 66899 55939 80619 73070 55253 1 71567 71540 56876 70890 55902 49433 7237 69662 59707 70113 60542 82267 8088 81108 360.2297@9.574 146601 1 79505 22104 1 158232 1 66628 64030 1 1 31802 253617 86974 1 44790 71545 1 47566 1 55372 40989 1 44124 1 C17 H28 O3 S Esi-10.802998 96337 110017 43278 75683 166506 151741 40945 101413 107434 72090 102880 109816 109222 105441 98226 107869 136239 137769 109125 125545 138385 40034 58389 127865 113827 462.3203@11.274001 86042 1 18444 23400 1 61584 1 37336 9711 1 1 1 29242 1 1 8506 13977 1 16812 1 1 1 1 8064 1 188.1063@14.907001 1 1 1 1 1 61162 1 1 14053 1 1 1 1 1 1 1 14902 1 1 1 1 1 1 1 1 531.3088@11.645 1 1 1 17249 1 87920 1 20537 52410 1 1 1 15197 1 1 19691 35155 18531 1 1 1 1 1 1 1 Esi-0.8500002 76747 73228 70379 64969 64036 70427 71087 69690 66302 72802 1 66028 62618 64379 63835 69113 62407 47751 68724 72167 63114 63008 67291 53125 60882 C6 H9 N O5 29113 30981 24826 17615 39021 45698 36464 42511 61045 37462 1 22058 44835 39305 25829 46314 39850 1 60598 38021 61074 61515 46194 1 89700 378.2795@13.333 1 1 1 1 1 156255 14977 1 112775 32395 815691 1 27841 1 1 1 14846 1 1 33721 1 1 1 1 1 C33 H50 N S Esi-13.358001 :2 74911 76714 168399 354655 67981 491060 281296 242636 603334 220691 34304 117428 180544 72934 256545 170361 559561 253045 273184 65926 84935 141832 159258 75055 70882 C13 H17 O4 63190 65819 66826 70802 68493 65319 61859 66905 70919 68736 47797 68226 74412 80782 66661 65754 70808 71765 81605 69960 74521 76807 83516 81995 78012 615.337@6.652 16441 1 1 32847 1 73587 1 45698 51866 1 1 16128 14714 43377 1 25892 86491 1 52739 1 1 23662 1 1 1 225.0697@6.0299993 53366 1 58762 1 36138 81036 1 20644 91728 26274 1 113469 1 30103 30404 1 83497 93561 43437 1 1 1 35278 59267 31303 Deoxycholic acid 9195 20397 67186 13109 11123 39470 22033 1 57099 10489 1 15437 38677 25291 15116 24537 1 10870 17480 15747 1 22536 22812 23612 10039 Esi-0.86499983 :3 35414 44566 49913 50604 40284 50952 48345 53788 47584 47123 1 47799 46019 43516 44567 42330 39737 32865 46090 38432 41325 41254 49740 31686 44689 C11 H7 N2 O5 13795 69313 55987 71573 48664 44317 47757 73390 17597 74805 1 65199 41313 48742 85842 24470 67433 44603 74230 34044 15637 39139 66016 59638 35184 C25 H24 N8 O21 124921 197626 111996 438158 51195 128328 86611 95511 91860 122852 37298 142463 289980 306827 233340 101960 101748 156922 300026 449108 337927 127394 305153 346150 142926 C7 H18 Cl2 N5 O2 S 57230 70487 72458 84759 39082 57077 56160 67067 21040 64903 1 47005 45066 55646 76483 27050 72784 46770 86671 80370 18080 41061 70360 76432 37537 C31 H44 N2 O11 41428 27177 82231 10539 21979 81119 30918 29831 58978 20186 1 25317 47423 33653 40679 43107 53256 33661 53455 33898 34619 33986 39565 21601 28662 C16 H3 O12 S 20922 39323 44475 34989 41508 40944 36082 52288 52384 37427 1 55209 46061 30635 39103 36513 31269 1 56846 26555 45846 41934 49185 1 75985 C23 H29 N3 O20 S 24663 82169 26032 69481 144962 26016 14116 25127 39343 46112 92809 59100 55647 152584 118326 34878 61129 46575 39304 75248 64940 25354 79344 46621 71328 > limit Esi-0.84000003 29256 32928 20178 1 29851 28395 30427 19400 14883 30797 1 18405 1 26626 18714 31634 33874 85600 24634 29325 20764 22516 1 84697 1 L-Arginine 1 31685 19212 30323 31942 39118 29652 41709 44341 51501 1 38080 45017 23382 26954 14599 23882 72042 36773 39497 22437 36405 29366 81199 26202 398.225@7.9879994 69474 1 1 28850 1 84858 1 30622 19186 1 1 17753 25178 1 13505 23059 30149 1 35631 1 1 21460 1 1 1 Esi-0.85799986 :1 50062 64763 60194 53346 52641 60555 60702 61831 58151 60134 1 53624 55018 57460 58133 47131 53532 79252 59385 56375 56921 50695 56670 74928 64502 C22 H21 N O17 54815 63006 42881 116685 84446 49565 120116 84408 123767 92002 69878 39071 43250 52695 86422 50823 155982 1 65673 92599 107305 93520 129203 86559 80537 Esi-0.8460001 27891 42961 59416 57395 52499 50980 36272 60902 59055 48913 1 63990 58051 49588 64240 53454 34510 1 54505 44136 65528 54858 67223 1 70561 254.0992@1.27 79540 1 1 1 9908 15532 15216 1 1 1 1 1 1 1 1 1 1 1 11886 30184 12797 9293 1 1 17233 C53 H109 N O10 54137 59389 61259 61525 65218 61228 64484 61934 51625 58543 1 63844 59885 59401 63607 63694 57228 46511 60359 60332 60627 60780 60591 49316 50220 Esi-0.8799999 :1 31489 36011 26588 29170 27878 26764 33650 22980 17596 27176 1 24032 21511 28010 23594 27932 32631 84532 24923 35126 18638 26757 17070 89727 14980 C20 H42 O4 S Esi-12.950001 133783 118303 160951 138207 167732 109997 245547 151699 232999 804301 1 206470 73577 202282 232546 175795 59151 249443 281553 204138 159591 314966 274433 188389 70591 C29 H41 O7 Esi-10.8099985 10692 65072 31254 10864 37297 32021 142429 8969 33514 78213 1 39539 14689 13100 35832 12886 27858 41899 8763 61709 11010 26433 65736 34667 40996 C4 H4 O3 S 1 73144 41952 26211 54035 56278 42082 22025 43782 35793 1 52049 72751 59846 68765 1 54659 9428 73779 49536 64772 63255 66977 1 49835 180.063@1.1940001 91775 77123 55463 1 77634 29206 5555 1 52165 51553 1 8824 57363 1 1 69352 52570 46792 45769 21278 98894 1 17905 1 61091 C10 H18 O3 36476 80270 31232 22932 1 89033 77984 36141 23652 27463 1 15401 16413 22810 23654 67847 43562 29703 27977 97130 149640 20687 19992 147605 15592 C4 H6 N6 O2 13593 53308 53865 50980 44031 47657 43008 57029 54786 28547 1 45116 62432 49151 63805 53317 63573 38555 73136 56181 79785 80743 47566 44497 76397 1094.9994@4.2249994 41788 38545 11584 26473 11682 16588 79341 1 32925 16812 1 1 1 47912 1 11734 1 1 18429 22518 1 1 1 12677 11309 C4 H6 O3 41012 53190 48250 44771 36926 51654 56358 46459 54221 41656 1 45698 47401 54752 66166 104469 19403 54477 35199 46262 66491 35705 33566 49356 49282 Esi-0.86700004 :3 43947 58702 60126 53250 48307 59914 55605 59316 48422 58558 1 54569 52444 51023 52795 48235 45514 53950 54110 46056 47563 48277 49659 53411 46138 C12 H5 N4 O11 70258 64966 66509 71886 70807 63620 72085 73183 71742 69812 51923 68104 70842 80874 73265 74732 70372 77288 79015 73360 80891 81077 77578 73600 77026 C32 H28 N11 O 1 9497 1 84031 9528 24744 16296 8154 54260 9257 1 10861 1 18090 9597 1 14651 19049 1 1 17166 9105 12758 8113 15163 317.9547@11.552001 13589 1 12546 41636 1 9235 1 17589 1 1 58862 1 14846 1 1 1 1 1 1 1 1 1 1 1 1 C5 H7 Cl N O 81616 104551 104071 122874 77613 116012 87206 116426 81979 108052 1 90971 105665 115661 127930 88899 101983 74596 126938 100057 58705 95755 113501 82187 78709 C57 H106 N10 O S 58386 63998 50372 45980 65418 57374 61128 45431 40794 59521 1 50379 47643 60529 51051 61536 67357 61999 57211 60128 49239 61647 40887 54729 32079 C6 H5 N O3 61778 84172 75803 83036 60911 66716 84472 76263 71309 88283 1 77389 68176 90274 78895 57843 66749 64690 72387 64031 65840 61855 54829 63382 45505 C19 H28 N6 O3 31876 1 39138 7020 1 89003 1 24118 14980 1 1 9406 26025 17831 7114 26705 52317 16063 35882 7451 19103 23733 1 14752 1 204.009@5.363999 66521 74881 36773 21769 1 25111 13366 9583 17439 1 1 1 1 1 1 19224 1 1 1 10895 1 67603 1 1 1 C17 H6 N8 31203 40546 35839 26988 35330 39422 44500 31680 46206 34991 1 27391 33138 35760 42739 83347 22531 30464 36871 27456 55387 45105 39340 30405 35665 C17 H2 N3 O16 S2 24835 28009 47738 44616 38538 40786 37089 58375 55566 35688 1 53366 51135 37648 43030 40024 29046 1 42482 34895 53966 42263 59102 1 70416 496.2304@6.367 79682 1 1 1 1 28938 69698 1 1 1 1 1 1 1 1 1 1 1 1 12919 1 15528 6181 10263 1 C18 H30 O3 S Esi-11.324001 96521 38079 53230 90937 86923 102879 99002 108612 66021 95639 36570 33077 54243 68304 37160 69309 46127 38549 109044 54453 89190 64045 89588 67701 101413 Esi-0.8950003 :2 67315 68391 61233 71387 51680 58555 63064 61609 24642 62764 1 49773 48722 59286 65734 48752 53871 55231 72985 75334 29923 50694 61044 80576 40172 C21 H46 N3 S2 1 1 1 11202 1 71319 10314 9732 53517 49694 1 31935 13148 1 31489 10491 18602 23738 25808 18397 13448 21614 26260 6951 14666 C45 H93 N21 36610 41060 57055 59870 49868 53099 53191 58912 59005 42500 1 63919 57553 52674 56634 50683 44154 20611 53507 47573 58263 53598 57543 14135 54926 C29 H51 N5 O30 34994 29588 30826 52810 17720 8917 44284 60231 74104 35170 1 43223 53005 24292 47052 61951 104182 76829 65189 48780 55693 61393 39530 40944 49359 C32 H51 N3 O10 Esi-12.748 1 1 1 147555 1 1995185 82318 191613 498112 44388 1 1 83666 1 72760 207260 352041 59972 93345 1 1 72821 1 1 1 C5 H9 Cl3 N O2 S 89619 76689 91947 82566 74485 99804 91267 100710 86636 90452 1 77900 87552 63282 64801 93781 82678 98723 102196 97424 48389 56055 88008 104244 81468 C8 H6 N3 S 55367 80808 87851 108660 56541 102225 57508 90859 55847 81814 1 66277 74807 92744 106908 68199 83190 58945 99153 66450 37474 71759 90473 67568 55252 C33 H49 N3 O8 13232 13048 24564 1 10352 90404 9113 13431 36827 11122 1 11318 28280 8988 10291 18296 17678 22327 26896 26578 21253 23802 14574 20783 13776 C8 H2 N S2 Esi-1.08 :1 64061 116835 85253 85605 102433 117812 103533 115691 131122 87791 17258 103537 150075 89069 116947 15336 63272 1 106408 129142 84137 114134 47273 1 128591 C6 H14 N2 O2 12811 16995 13642 7904 16356 18976 17123 15227 13032 15021 1 12123 12994 20948 17485 20474 24522 76727 23312 25108 19287 27076 22434 55896 18647 C22 H28 N3 O18 1 19355 20238 1 14667 34015 18535 35840 74530 27857 1 1 25242 37978 23395 27493 11611 1 35814 1 33933 29539 39073 1 52316 Esi-0.9969998 :2 61291 30939 41719 75737 45494 25034 40545 26890 14087 26306 1 66590 31901 15622 27529 24577 52136 77722 27627 84835 30372 34104 26581 67599 32350 C25 H23 N7 O22 132080 89414 81790 48983 169842 18037 62437 139556 121703 54301 112651 80412 182392 89433 52656 177162 170984 148572 104791 77188 159841 152761 56381 106214 86162 C28 H41 N17 O14 31279 1 21218 63962 1 106901 1 42506 74376 1 1 17964 26414 17170 22962 39929 86962 34738 27296 28673 1 32758 20588 20765 24882 Esi-0.85899997 34673 38950 43753 82515 39278 37125 40136 44261 41087 34158 1 47091 38119 35605 42239 40728 58152 37577 40889 80057 41971 39248 44556 39095 43269 C28 H3 N O3 S2 64211 36750 39947 31841 30880 51257 33563 40435 31737 33095 1 39277 46033 30418 31553 40666 41608 1 45337 36403 33825 35697 31940 1 37640 Esi-0.8419998 :8 65163 76891 72914 74516 80098 73401 75137 74472 68388 74280 1 69154 72208 78304 73107 76708 75179 49158 68950 67115 64861 71779 64298 48113 58444 336.2297@10.219 78715 1 1 42327 1 59570 1 44101 45631 1 1 19163 32219 49361 20848 31103 79275 1 37760 1 45671 58069 1 71477 9290 > limit Esi-0.8409998 15588 18065 11119 9984 12001 12105 15504 8760 7826 14973 1 7124 1 14342 7209 13628 17967 59023 9154 12372 9877 11535 1 61048 1 Diglykokoll Esi-0.8969999 89290 82596 141518 143489 63680 184788 29084 157555 204968 122103 1 132017 122283 106536 111455 43546 122283 10713 95224 43146 136383 130870 199649 10839 158725 956.9771@3.0990002 11500 1 1 1 1 101425 1 1 1 1 11814 1 1 1 1 1 11957 5406 21070 1 1 1 1 189050 1 775.8263@5.473 12870 1 1 1 1 80255 1 1 1 1 1 1 31336 28366 1 1 12364 1 17826 1 1 10087 1 1 1 249.9696@13.627999 20747 1 1 1 1 58425 20632 10240 44395 6815 1 6543 1 1 1 28920 13066 1 1 1 1 1 1 1 1 C6 H6 O6 65249 73111 31646 54064 41575 42118 71725 47152 64481 64368 1 23940 40135 44174 47677 42737 41025 1 58989 65447 37767 60748 77534 1 56532 C7 H3 N4 S 1 52477 51690 47827 38408 38482 46223 56356 42255 43152 1 42939 55743 50449 58546 60966 79006 41311 71264 57760 75400 87119 91428 43096 70312 Esi-0.8419998 :9 50109 56234 75856 70166 64218 62905 63342 74407 73310 60722 1 74707 72870 66071 77879 65774 57763 13267 61965 58623 69286 64757 77427 14270 71342 C36 H71 N3 O10 S 42448 43787 41278 47276 53336 39702 49094 50263 45379 49543 40605 45797 42953 48836 42975 46736 50931 74995 65064 52611 64539 66631 67127 55505 63843 C33 H2 N2 O27 S3 48751 49889 56574 58605 58202 58673 56725 60138 54210 55886 1 65918 61841 59827 59503 64453 54668 19601 58461 54929 60995 59601 53810 17934 51509 C18 H30 O3 Esi-11.617997 83475 7973 30815 251792 1 179261 1 53093 40898 28190 1 112259 45382 110964 104403 206060 330913 77293 34995 78374 46934 107165 31735 122060 42226 58.9827@11.359 69463 1 1 21496 1 158298 1 30367 163203 89715 1 1 29807 1 1 1 245733 1 1 1 1 22499 1 1 1 C26 H20 Cl3 N2 O11 S5 17570 18343 10044 9537 13093 15292 17131 1 8783 18381 1 8660 1 15317 10125 16025 18357 76715 10533 18174 7137 10877 1 77426 1 Esi-0.9840001 26304 13371 14365 38029 14415 8461 14144 10504 1 10424 1 62955 14044 1 13381 9180 24311 29587 1 35021 1 12543 1 24832 1 C22 H24 N9 O17 Esi-13.362 23519 25709 30169 55637 26925 54623 23548 33365 61348 30499 23595 37301 35436 26251 49279 40096 63445 36141 39015 29253 24915 31970 29457 33048 32438 C3 H7 N O3 27151 29227 40448 20431 34968 27490 30168 25138 40794 32636 1 29977 30571 29192 30431 32964 37340 78394 22798 32685 35195 37849 32829 44044 29023 189.0465@0.96 18680 11753 11426 1 1 11295 1 1 1 1 1 19389 1 1 41361 12919 1 16903 9921 1 1 1 9584 32354 1 C17 H24 N3 O18 Esi-11.636997 40066 50433 1 49048 27961 183840 1 48369 52696 23108 1 11896 91849 1 34822 48205 41732 54740 84270 43740 1 26188 1 1 85146 C39 H22 N3 O15 80801 261085 76715 438158 49258 170436 106723 103996 92851 78694 10778 54856 283497 221266 234647 305068 241463 164756 302959 449108 337927 93679 323239 275759 120074 C24 H4 N2 O19 S3 34890 50934 36517 35921 32022 50269 48810 44065 39874 45529 1 28806 38364 44150 41379 40116 36733 35710 45056 39297 28991 36729 38173 35914 21994 Threonate Esi-0.941 393693 197069 257436 193095 132929 429949 198037 244807 400895 125918 1 109488 268355 156264 165524 362324 160516 75616 181894 172597 241445 222087 173883 66616 159712 C20 H32 O6 30109 1 24644 26011 1 47196 1 29006 22752 1 1 20910 18151 37608 18076 46275 65415 35587 36669 15660 14248 21764 1 25571 9631 C20 H24 N2 O22 Esi-11.882001 90732 51942 101426 90631 175534 161072 40746 85316 142080 89024 101157 76479 68232 101221 74931 76238 172008 93588 63297 158907 43181 99965 75916 110503 83630 C12 H20 O3 34309 1 25151 24558 1 71988 1 40060 33004 9229 1 20857 20156 36942 16657 46885 59877 21212 34976 12813 9034 22459 1 17660 11580 C30 H47 N5 O14 39539 28468 50758 28237 27523 79526 36397 52174 80137 36105 1 26543 37353 25794 27200 32116 70945 61330 43510 67305 19541 53063 45620 40089 43298 C19 H21 N7 O18 Esi-11.516003 83950 47939 57056 87886 56238 35886 42776 62281 64522 181929 53886 54469 26306 130068 71109 53748 73029 85644 84421 70910 55051 62694 68807 107209 53033 Esi-0.88400006 :2 61594 65631 64842 74085 50898 56057 61328 59569 33918 61200 1 53668 55273 57942 67163 53229 51345 60402 66640 68381 35709 51713 59407 77844 50220 C11 H2 N3 O13 S 45064 51791 68853 64842 59420 55221 57356 66829 69443 51532 1 66468 60478 58887 66606 59354 53191 17687 56136 51296 62975 55164 63184 18868 70852 113.9929@12.947999:2 1 1 10157 1 1 129206 61780 232256 109085 1 1 1 405474 1 203403 1 83615 1 1 1 1 1 1 1 1 > limit Esi-0.8419998 :3 58930 60351 44177 43812 55186 53855 59983 41983 40419 58538 1 42840 47611 60985 44588 60134 63840 55239 51987 63202 45651 54832 35301 54767 29886 C27 H41 O7 Esi-10.809002 1 16250 10071 13744 13926 11431 62959 10161 14042 18907 1 12366 1 1 14829 1 11188 16164 1 37043 1 11615 21589 16366 14770 C41 H4 Cl3 N3 O10 S 14112 16701 9588 1 13122 12010 14827 6592 7987 16781 1 9691 1 12933 10391 14984 15825 77173 11304 14819 9446 12244 1 73062 1 Esi-0.8570002 :2 23993 32767 42017 42088 34820 36931 33641 44269 47690 33719 1 46748 41461 33718 44017 34967 29764 8963 36754 29031 45306 37715 52537 9644 64602 C8 H12 N4 O3 Esi-13.631 63728 90460 37413 58055 53757 61991 1 54962 184653 82323 1 51226 40250 65069 63795 60114 51097 75032 33505 72148 75432 81432 51053 30932 83865 C11 H2 N3 O S 1 25637 22512 25421 24234 25581 24773 26178 15594 20762 1 26588 19829 18313 27361 18850 23344 60268 28036 25995 18245 23046 23286 80120 22044 Esi-0.86300015 :2 28979 23489 35307 35289 28227 29092 32744 35529 29074 25385 1 27868 31471 27630 34539 22604 25327 18090 30818 28820 24927 27064 33799 23882 35247 186.1249@7.4310007 48490 1 1 1 1 135812 1 71212 1 1 1 1 20777 1 112971 31582 16980 1 36260 1 1 33595 1 1 1 Esi-0.866 17299 20538 28508 38263 19061 20229 18823 24982 19089 1 1 20289 23134 21588 24319 20342 21389 16747 23010 27595 21162 15678 28364 17682 29733 C25 H20 N12 O17 77459 54858 99588 98778 74942 154699 70145 97369 139340 96767 86469 52689 102766 114428 98354 100565 107880 98981 110813 70018 24665 37590 77355 76046 63562 Esi-0.86400014 27967 33686 35657 36204 31700 32196 35011 35992 32894 29639 1 35567 32521 33718 33966 31150 30158 26415 32293 36112 30566 33369 29761 29582 33582 C4 H5 Cl N5 Esi-0.9470003 47568 71289 68975 74273 60893 65305 68158 76077 36862 80371 1 60570 60598 67565 79175 44066 70380 54707 86204 68279 37407 55306 79116 65126 54628 C9 H Cl3 N4 O3 S3 45662 43927 36626 45198 35285 37111 39057 35649 17905 39304 1 34388 31855 32764 38371 30534 40118 44270 40127 46586 20105 31720 32594 58833 21979 Esi-0.8530001 55582 55992 66600 62671 51456 57102 51632 66932 62698 54477 1 60193 61826 56422 59587 56750 47118 10899 63332 56399 61381 55080 69307 12348 66450 C29 H46 N2 O11 13478 1 28586 42844 1 77234 1 36755 40438 1 1 9806 17335 18071 14128 15708 58029 10342 14498 12190 1 9679 10629 1 1 C7 H11 N5 O4 Esi-13.632762 30679 20388 71657 55444 26904 108552 54625 134141 27608 70429 1 11712 1 123747 103815 159946 56696 80504 28197 6901 1 1 40018 85614 81626 C17 H30 N5 O8 104348 1 41676 45722 1 73828 1 54555 26617 1 1 21203 52859 17425 21012 32209 32613 14323 39002 20525 1 21095 1 28919 1 C22 H21 N O17 Esi-13.556182 26258 1 26045 14744 18111 20613 28436 1 26292 16368 22813 47046 28648 19862 1 20603 13153 30358 29511 32360 35856 22108 54686 30274 26934 C13 H2 N3 O12 S3 62120 88419 81774 80145 68129 88192 71998 95597 106081 74661 1 79601 94455 81417 94613 73785 59535 1 94468 61241 85515 76013 103533 1 111869 Esi-0.8509999 42526 51189 40509 39301 40620 43454 47096 34792 35654 44564 1 36437 32929 43665 41383 43632 42246 72062 37902 41415 36690 38695 31737 74686 31640 C10 H2 N O12 S 43012 66221 44083 45348 40229 66656 57302 55789 56080 57351 1 34853 49014 53985 60848 49628 46072 28050 58161 46373 38968 46358 50567 30049 36959 > limit Esi-0.8409998 :1 28557 33511 20959 19454 24315 25300 27779 17664 17174 29603 1 17018 16689 26640 20448 29243 32473 60320 22298 27257 18527 25953 13505 57799 10886 686.1263@11.816001 1 40719 1 51698 26239 90150 46038 1 51908 1 1 1 1 1 1 1 1 1 1 1 1 1 48968 34436 1 C48 H27 N7 O17 11015 34759 21109 7043 28311 43097 30490 37397 75740 41319 1 9549 32127 48196 26967 46777 23172 1 60243 13168 55952 46108 42232 1 64814 C8 H2 N O12 S 47009 47690 60250 58303 59063 52774 50452 64310 65887 49544 1 70996 66902 51562 61487 49993 45299 13104 54649 50101 67158 55790 66923 12363 70807 C12 H9 N5 O13 38709 46564 43917 29570 28284 29437 55001 16972 38459 34796 1 31428 26504 28286 32183 46745 32538 36861 62409 62063 33287 34643 49600 43995 39305 Esi-0.86700004 :4 44963 57430 49369 47832 44153 50805 48767 51825 42387 49547 1 40542 43256 45210 43070 45317 43541 64779 47147 47695 37724 41988 43289 64081 34530 186.1249@7.432 53768 1 1 35410 1 187210 1 69231 1 1 1 1 37949 65286 1 19217 23609 1 38014 1 1 50608 1 1 1 Esi-0.86499983 :4 35119 43057 36042 34121 44088 37492 41727 35991 32691 39048 1 33370 32422 33313 32212 33748 35377 67313 35598 37932 30008 34722 31088 66032 25881 C7 H6 O2 36665 20196 26362 50958 17621 72333 20871 32197 35294 17824 1 31554 30299 39745 24215 35025 36971 34670 44516 20508 17235 31122 18986 19830 19369 Esi-0.85799986 :2 34790 41638 50449 48296 39815 43894 42015 52298 51397 40654 1 50763 52130 42812 50179 41437 38442 20111 44562 39851 48049 43187 57837 20641 63990 C5 H2 Cl2 O 167976 185146 159670 221274 171653 154842 165841 144231 179951 181312 1 297149 273315 133806 197412 143671 212608 175914 162607 254882 184171 205439 141618 46701 155013 Esi-0.86599994 :1 38333 50237 68858 65606 51428 56367 53022 71312 64382 55378 1 63022 67627 50804 61003 49896 42116 14145 54492 45715 57219 56583 69425 13839 65908 130.9828@13.628002 1 1 1 16789 1 76760 45328 31475 52322 18189 30005 26204 1 1 23148 103758 38914 1 14819 11303 14365 30672 1 1 8116 558.3274@11.645999 1 1 1 18754 1 121092 12267 26097 70435 1 1 1 17188 1 1 24131 48436 17650 15853 1 1 11924 1 1 1 C5 H13 N5 O6 52614 53283 56071 51879 53602 53267 55006 47626 56827 48397 1 55275 53673 57058 54489 48969 50463 74328 180581 62630 58582 70185 68047 50421 71413 C5 H11 N O3 S 47437 24970 36555 67899 1 44330 14002 52363 56798 31568 1 36287 38121 46493 25781 39702 43033 47363 41477 45779 48118 36915 48511 46376 27394 571.1742@0.916 19840 1 20411 1 1 61513 1 24334 15671 1 1 1 25772 10109 1 12676 13613 1 18012 1 1 1 1 1 1 C10 H22 N13 O 172632 51169 48276 75812 51667 51530 54890 72421 49764 46230 43961 79844 52586 55679 56123 56088 57356 55333 62135 69535 61845 56930 61543 78394 58973 C9 H2 N2 O5 S Esi-12.947002 49545 39220 65468 30911 1 45782 27603 42076 64255 24629 1 55304 49871 33954 43544 1 50170 29141 17601 1 116136 70422 62489 29026 77835 385.9418@13.981002 1 1 1 11095 1 55330 11401 8475 28652 10488 1 13739 9784 1 1 12680 13021 1 8259 15853 1 6172 13734 1 12023 C20 H24 N2 O22 Esi-11.6900015 147368 104472 144603 137559 96880 238108 117172 170714 218177 118519 90101 118328 174012 112903 124918 174698 207266 160994 147391 128495 123388 124847 116282 138978 116269 549.2824@5.058999 1 44270 1 1 15316 69529 19581 1 23948 20544 1 30322 11067 41320 58373 1 1 1 54896 1 1 1 10168 1 33113 Esi-0.85899997 :1 39995 54292 59231 53543 49605 55547 52226 63399 56155 53442 1 57535 54395 46626 55797 52552 45871 23103 54306 46725 53113 50689 64452 24605 66303 453.9287@11.54 1 1 1 1 1 70793 1 1 27432 1 1 25601 77268 34872 32710 1 93328 1 1 1 8489 1 12896 1 1 868.8517@0.8400001 14814 15319 9576 1 12024 12163 11667 1 1 13645 1 8433 1 13023 1 9791 14219 73107 1 12524 6448 8730 1 73470 1 C32 H21 N8 O27 S Esi-3.042 31972 42958 52075 55329 45941 26823 48510 47361 55904 39989 1 48062 42321 58428 36787 38055 40375 20883 23781 36806 42694 51019 29924 63675 25378 C45 H11 N3 O5 26906 45854 41335 26596 39194 51469 43174 54694 61956 52565 1 23971 47449 54536 46534 43325 39184 1 66309 29307 54097 49877 53085 1 73466 C24 H4 N2 O18 S4 45071 58786 55720 54199 48299 56810 54578 52863 57705 52674 1 47962 53067 48577 60304 54869 46643 20284 57406 51412 48499 46192 54428 15821 49409 C20 H2 O8 S2 27883 59697 36371 33299 25372 55330 38337 44117 52705 37577 1 21029 43863 44465 48296 34417 27785 1 45342 28018 30119 26612 34762 1 29951 C6 H13 N O3 34342 41351 46699 34686 36646 39779 43486 31473 37361 23677 1 37314 38721 41419 20276 41417 31786 53206 39681 45778 68835 52932 40215 60353 37320 C12 H15 N5 O2 8424 1 15622 11166 7158 81121 24536 17947 24082 14805 1 10051 11664 1 11462 7838 39215 13665 9829 1 1 1 14997 1 1 C11 H2 N O14 S Esi-0.8419998 84706 133075 110604 105633 95651 59047 63662 75367 65826 53119 1 101649 67804 55244 59871 91071 53627 17027 52698 84677 106247 65637 79657 15745 112976 C5 H13 Cl N O3 S 25012 69430 57729 69299 51851 52405 53373 64672 22662 69245 1 67041 42373 52432 72830 29626 67558 45234 69074 49959 22843 41180 58700 58769 36224 370.2355@7.574999 1 1 1 72431 1 254246 1 46471 62175 18549 1 11500 1 33917 67249 58138 51077 57869 49963 53364 1 36621 1 52899 1 C10 H14 N2 O7 16276 33250 26655 13507 32292 40638 34913 38388 66140 38117 1 14027 36331 52747 33086 40021 27984 1 49294 17655 55974 45000 44252 1 51472 C5 H6 O7 S 7372 7976 7874 7627 7269 8535 8338 1 7942 8260 1 8784 1 8894 1 8370 10398 55368 9599 9790 11322 9687 10156 70079 10289 C14 H2 N4 O6 S2 Esi-13.369002 1 1 22291 45625 1 111864 37236 28207 119234 28186 1 25379 18410 14236 27586 10539 65620 13392 23369 1 1 1 18909 1 13222 Esi-0.86199975 46108 60025 64150 65112 55493 59160 56893 65457 59087 55251 1 62554 59198 57741 59639 54188 48867 27168 58964 55248 61192 57941 62250 24981 62652 > limit Esi-0.84099984 41316 45586 1 1 37984 33016 42472 1 1 39661 1 24328 1 41620 33942 41577 43997 55832 35838 40227 26286 1 21090 57341 12757 378.24@9.666 20828 1 24140 1 1 56321 1 9765 21801 1 1 1 53636 18114 1 10585 27635 1 21815 1 1 1 1 1 1 C13 H2 N O9 S 35714 38743 53366 55504 48444 46338 43373 58680 61065 44243 1 58846 50616 45424 51828 45299 39875 15470 46856 37674 47139 44132 59393 14510 60684 C27 H39 N7 O4 12643 1 12338 12436 1 63497 1 11617 39986 1 1 11695 10412 1 17272 11150 17138 9340 11515 1 1 12880 1 1 1 Esi-0.8799999 :2 25636 29442 24362 24450 21464 23006 28221 20563 14934 23681 1 21355 21150 22610 19122 24153 27386 71174 21510 29670 16296 23030 15107 72738 12708 Esi-0.86300015 :3 51018 59983 65148 61246 60656 63263 61357 67143 62326 62499 1 58520 61755 57392 64459 52590 47541 24894 62518 54037 58150 57113 63483 24087 57717 C9 H16 O4 Esi-13.358999 27353 18269 38329 69025 22994 65945 43783 53817 71937 50072 13284 31792 31458 18955 49525 37389 62064 31383 47701 15383 29657 29851 33351 18719 22279 > limit Esi-0.8400001 :1 21157 24600 1 11598 19281 21256 25581 1 7077 1 1 12285 14083 1 1 24358 24831 71573 19135 24482 8531 1 7565 71996 1 C32 H2 N3 O29 S3 53873 54758 57056 57897 65494 59949 57415 56421 55005 57532 1 62090 54629 67121 57704 68440 65943 44842 61630 57448 59001 65694 54545 43418 45472 724.6026@13.628002 1 1 1 23996 1 66933 27891 19710 57996 25815 1 14199 1 1 15552 31584 46375 9880 13786 8488 5663 11980 14178 1 7765 979.9848@5.1208186 17026 52204 1 36513 32595 42435 34656 1 1 1 1 40615 43326 1 1 1 9810 1 1 83981 1 1 120087 1 1 Esi-0.85400003 :3 56102 50995 63426 63669 47109 54551 49143 65038 63859 48079 1 56933 62102 46695 59435 46094 39326 6553 55081 52774 59284 49408 71649 1 71067 C9 H10 O4 11289 13313 16508 65896 15684 12796 21029 11776 22497 17944 1 11229 10115 30928 13298 29323 12172 13852 15831 12281 19982 23486 30646 15253 22631 C10 H4 N6 O7 26693 47161 44710 39054 42017 33957 51190 40274 25502 50307 1 19820 38993 46469 55088 48416 40941 51106 46538 49574 40903 50337 59223 50331 40582 C12 H15 Cl2 N O5 S 61454 50920 78302 68110 56286 58537 61073 69807 83131 54567 1 63122 76086 56360 79520 66225 65865 1 46030 59732 73310 59405 77529 1 75434 C24 H24 N3 O16 35754 26222 50194 21939 11906 73706 18802 20555 15220 32569 32152 33231 28947 21773 9759 80999 36113 50881 32922 30956 60128 51260 48052 27411 32800 Esi-0.92399985 :2 55870 67022 47281 42083 48464 86743 51490 55573 69838 47609 1 38045 46048 56309 42740 74698 21153 73632 44109 68025 68161 64454 47233 71184 63965 C11 H16 O3 18184 1 14283 38473 1 66397 1 25184 33439 1 1 15980 14395 30857 11872 30450 46091 25954 28295 8950 1 18465 9699 7071 10741 C26 H33 N O28 S2 68940 312591 64051 70909 82056 41446 54669 70962 61738 56174 60217 52533 52257 67382 248768 66870 57601 345871 64118 81248 70433 91225 92331 59701 55452 C9 H18 O4 49044 1 39251 21961 1 64923 1 49952 32337 7378 1 26950 28302 24227 18410 45386 41318 27287 43576 10563 13079 20550 15632 22831 12282 C17 H24 N3 O18 Esi-13.9819975 37340 25769 41581 45900 32705 92429 37660 42996 54822 69125 25641 75584 42186 38066 30874 34461 33526 75207 46901 43712 63580 47311 38821 28170 46746 C20 H32 O4 Esi-9.589001 722334 10847 28818 283499 1 442258 1 451751 117315 18908 1 182064 33039 97973 159404 324286 235340 177265 35567 13892 147725 15370 31595 303566 61609 C15 H4 N6 O8 10267 55819 35697 14143 37167 58514 42877 56516 66148 61649 1 9681 39832 60773 42542 41311 25581 1 50887 14221 37349 39429 53826 1 31030 Esi-0.8899999 :2 58026 56266 49297 64105 40029 45045 53770 47265 15620 53920 1 42948 40843 47230 51130 38890 47078 49947 55071 60095 22526 40296 42183 70374 32808 C8 H2 N S2 Esi-1.3810003 23751 221428 23957 28980 30490 29680 259172 1 69489 14247 16484 254816 49265 22549 26838 1 168840 1 243853 132632 1 425938 1 453433 40729 > limit Esi-0.8419998 :4 62443 64475 55222 53479 63393 62191 67975 55712 56007 64497 1 61273 59731 65209 61917 65333 66220 158332 60371 67038 57625 67359 52750 165186 50366 > limit Esi-0.8400001 :2 25251 25669 15449 17256 21315 18962 24446 11015 13259 24758 1 12223 13672 20573 12780 24509 26012 52866 19295 23051 12060 17030 11305 49557 5705 C6 H11 N2 O7 22308 46415 28403 24884 38902 21729 43925 26062 20865 35473 1 27877 20969 31801 25072 20642 33843 64854 35589 52884 31541 41894 43277 45324 34790 C21 H24 N7 O3 16282 51341 40799 26618 68774 28161 44845 34969 40540 48189 1 23098 11783 35191 48289 22404 15601 32556 63887 52125 50984 60947 25473 22786 27291 902.8452@0.8400001 11990 14546 7457 1 10094 9271 12114 1 1 12543 1 1 1 11354 1 10663 13073 62640 9031 10520 6910 9458 1 69791 1 C24 H18 N10 O11 25263 25129 36962 48015 15389 45949 31821 50683 61424 33211 21068 22054 39453 28153 48207 41672 42066 39868 41156 25309 19845 31502 46529 27501 26582 510.3405@13.423999 1 1 1 25559 1 37692 1 7320 55797 1 1 1 1 1 1 1 16690 1 1 1 1 1 1 1 1 C6 H2 N3 O5 S3 45815 24469 25975 40310 24843 25884 25886 18418 10893 22582 1 25676 18201 26285 27503 15905 24224 38770 23432 45097 11896 22515 21514 59223 18740 C7 H12 O7 40387 16416 45749 23858 15544 52862 17872 20839 1 13553 1 13742 13884 1 22004 19927 24400 1 17009 71652 21004 14509 12087 17943 33069 C46 H97 N15 29528 32485 46553 41929 42708 42901 35136 53098 47940 36645 1 56321 56888 39578 47640 40502 33238 13951 43535 37099 51648 45264 56057 11132 64610 C57 H105 N 42611 52511 39790 39669 39257 50424 45560 44874 47702 47684 1 38260 44596 49204 43345 40646 36760 21141 48122 43348 37803 38801 45266 24181 35491 773.3317@12.751 1 1 1 67833 1 505878 28945 72653 199263 1 1 1 1 1 1 77362 146043 1 38347 1 1 1 1 1 1 C3 H4 N6 O3 Esi-1.5760001 :1 111968 190083 329144 84907 379100 140445 347189 147484 302198 313237 1 311401 187224 318137 330244 168470 482178 616699 435232 132737 174434 175920 276981 170116 212047 C24 H47 N6 O8 S 12440 1 7402 61111 1 25599 1 36084 49428 1 1 18200 15531 41297 10485 21261 71738 26657 31969 7846 1 19091 10554 10406 7073 C10 H9 N2 O2 S 29600 54503 44749 56303 41156 49101 37795 52792 26056 52046 1 49343 39278 42746 62718 30978 48055 33380 64682 48369 21165 41776 53355 44447 30493 > limit Esi-0.842 35695 41797 46953 49612 47355 44604 40979 46911 1 45455 1 56010 52246 44052 50082 43805 45027 37530 44995 44553 1 46686 1 34461 1 C19 H18 Cl3 O22 S2 15751 17822 9515 10895 12855 11576 15120 9106 8413 13830 1 8878 8221 14632 8874 14080 17960 65065 11579 14349 9438 12020 6498 68161 1 C10 H7 N7 O2 41374 32649 41717 23385 31811 31798 30782 19858 46900 25307 1 27857 31775 55133 52964 32524 33461 22353 51860 54658 65093 50976 42326 23001 42515 C25 H24 O7 14292 16735 18646 1 9109 42633 10979 11780 63075 44439 1 38966 8246 12907 63057 1 27692 64171 37555 1 21855 9730 45378 25714 22818 C7 H13 N7 O3 Esi-1.2819997 16713 68133 96564 30239 36045 49783 60130 78685 53344 51096 1 39173 68785 84086 16153 67708 105876 31807 100328 70761 87607 138447 209927 55348 143503 Esi-0.8439999 :1 34541 35520 40550 37401 46827 46110 45230 43475 41930 34115 1 48707 51011 40252 41760 37906 31153 17509 44721 41205 51385 46886 48021 17017 40001 C52 H107 N4 O3 S 54820 53805 52837 49210 46522 48720 51265 50836 48704 48420 1 49272 49747 49818 50745 51171 44784 39161 48071 51651 46133 44307 48445 39651 46200 Esi-0.8799999 :3 43733 52342 61120 61934 49412 50724 54368 59342 46928 49499 1 64355 51361 51929 50610 52251 51208 32143 50881 57604 50080 50536 49767 31707 43759 C41 H24 O2 20005 8765 21828 1 14000 53084 12433 23785 24273 8519 1 7186 28710 17834 11266 50548 13436 15361 21664 8075 26682 21421 10439 8941 10606 602.1041@0.92 51621 1 26746 1 1 62953 1 31448 15221 1 1 7862 35102 8913 1 16052 18795 1 29858 1 1 7053 1 1 1 C17 H6 O10 15074 54322 52923 48543 16962 49144 48834 49614 53813 11482 1 13793 33590 44685 42333 44874 57464 1 48878 51086 41298 41858 1 1 45922 C20 H2 N2 O18 S 17314 18609 22551 24798 12019 33697 24680 14828 40541 1 1 1 17765 1 25196 1 23098 14230 17185 1 1 30804 1 1 14033 C4 H4 N2 O4 S4 71417 43051 43243 59151 40233 47541 44873 48076 29397 44151 1 40047 46085 40390 47780 30191 37226 41287 52166 55890 34873 39822 53346 58408 17913 780.4227@3.7239995 14193 1 8993 1 1 63956 1 1 1 1 1 1 18687 10222 1 1 27509 1 11001 1 1 32134 1 1 1 C12 H2 N2 O8 11583 13576 11291 13040 9486 62896 11661 10835 1 11997 1 9245 9779 10436 11471 9805 7492 9995 12108 13115 1 10229 10151 15150 7182 Esi-0.86199975 :1 42977 47727 46926 43505 40653 43132 49717 48683 41463 43854 1 42626 42385 39947 43373 40194 39254 61985 45851 44254 38430 39301 46922 62201 41637 C17 H24 N3 O18 Esi-13.627999 23757 44073 32969 62085 33551 37694 100092 43094 15053 28597 11330 64826 38076 43561 38808 53699 66414 37401 39221 42230 45008 46622 35682 36916 46724 C21 H42 Cl N5 O5 S 1 10598 1 38328 20908 12768 8698 1 19786 39266 1 1 19133 69587 14713 10008 15890 20395 19753 52201 1 16675 16833 10321 23876 Esi-0.8419999 27714 30356 42774 41259 38977 33609 33474 44821 43108 29813 1 47418 42280 34715 39145 39343 31962 10885 36152 35262 40801 36216 43244 1 51424 Esi-0.832 :1 36521 49594 47396 45338 36473 50730 40203 51566 54215 46471 1 37339 45007 44491 53860 40620 40822 13274 52360 38228 45720 37172 55288 11553 51692 C31 H41 O7 13948 28435 10357 9199 23347 15660 84097 20534 34726 40422 1 12841 7655 17966 13427 21881 9405 13770 22367 24905 11059 8007 47281 8977 19631 614.4513@11.275 129231 1 1 8857 1 48549 1 18431 1 1 1 1 13785 1 1 1 1 1 1 1 1 1 1 1 1 C11 H10 N9 O7 S 32365 39378 31303 20132 34732 43885 39000 43650 56749 47660 1 15903 44485 51227 36093 42510 31330 1 42213 26361 43332 40189 43188 1 38469 C12 H15 N5 O2 Esi-13.358999 17246 20328 32890 54144 17809 51367 45764 47111 26491 33394 15074 34037 33971 16063 38539 36090 51882 26534 30939 13110 17571 27413 23392 16033 16281 398.2274@3.823 14943 1 1 1 1 38177 1 19284 1 1 1 1 23818 1 1 9904 1 1 57777 1 15217 1 1 1 1 C9 H6 O3 54419 63919 60172 59539 44208 71144 53935 64727 46378 57077 1 38299 48277 53993 64270 49564 52718 7604 57975 43637 34930 46814 61128 22926 42408 Esi-0.8509999 :1 36413 41396 38838 34451 36437 35787 37704 37107 33015 39773 1 31458 34430 39258 37668 38182 37278 23930 38507 36084 37277 36282 33398 23809 29238 C33 H50 N S Esi-12.947999 18750 8785 7717 43146 16067 185079 73107 51687 107523 54943 1 15435 34847 7803 45738 30965 76042 27588 45048 5431 7282 21947 16589 9662 1 C10 H20 O3 1 18406 54803 45487 16782 16696 11150 15071 36208 24376 1 11131 10163 28821 12678 1 18443 22194 21451 1 1 38239 10278 8829 1 Esi-0.874 :1 40774 46315 63558 62554 51766 56391 48226 68452 61600 44925 1 68811 58011 47304 57494 48744 38643 10425 50719 40201 56065 49079 66283 9744 69724 338.2452@10.623 26460 1 19586 58609 1 35269 1 18356 1 1 1 11469 14334 7527 1 28648 14064 33528 15750 1 1 10593 1 19754 8537 C6 H2 O9 S2 21884 22767 38580 37029 29329 29746 24751 43165 51617 28596 1 43750 42307 29671 41612 30398 22294 1 33197 24755 38081 32472 51234 1 68088 C14 H20 N O17 25950 21817 14250 32586 7688 19177 18789 19118 1 18290 1 7030 11659 16352 19541 12147 13352 1 25157 26786 1 10243 16093 1 8929 C7 H12 O3 23238 7986 17752 11376 1 60150 1 15695 15312 15641 1 14563 16060 14953 7749 25550 28352 11571 37378 10853 1 15207 10938 8513 6654 C8 H12 N4 O3 Esi-13.364002 58483 62217 101573 101782 53279 198058 82531 68462 297173 141977 60928 75611 80030 75818 121535 84714 71824 89083 83084 44186 99694 58545 65829 42018 55222 Esi-0.8489998 :1 40654 44778 50862 51011 53962 41108 43717 60043 50158 50565 1 67367 53629 34715 58047 45880 48339 12233 49910 43051 51299 52011 56388 13703 62116 Esi-0.8910001 :2 43977 35668 31976 49527 28652 30982 34765 32506 11450 34026 1 29610 26924 31017 39282 23758 31606 31574 38223 45412 15952 28967 32180 53888 20772 C14 H N O18 36882 15727 29814 40569 1 42072 24659 34441 46879 21457 1 22373 25655 71751 29271 31576 48624 45053 20701 80193 23816 23391 22332 40649 49138 Esi-0.8600001 32982 40600 50075 66839 39826 43442 41665 51757 51142 37179 1 52759 48295 37747 46288 40882 45382 30855 41515 52430 48730 40785 47139 27940 51577 318.2193@10.955001 62982 1 63401 24594 1 100940 1 23771 25963 1 1 12692 224018 24037 1 29768 21356 1 53617 19592 43221 1 1 20832 1 C25 H30 N O26 54004 31209 40861 52492 29963 89359 38452 46612 66230 12003 22144 36747 53333 34894 27090 43457 68339 47667 49166 40623 29165 42909 35947 37408 36198 C5 H9 N7 O2 Esi-1.3489995 88100 82490 88440 36540 66697 94102 99898 74927 68365 69337 1 33734 47244 73468 63577 66487 68885 80197 114884 114548 69771 121580 161786 103406 126046 C13 H8 O18 9505 47893 33164 15163 27603 55939 37557 46563 52347 58935 1 10349 35292 50755 34707 32691 21124 1 44730 13009 24946 31061 50104 1 24495 C4 H2 N O S2 Esi-13.562 112586 136910 53575 26505 292630 46154 22717 66088 49974 56667 121663 90793 109333 86969 60362 101307 58279 92767 108360 65121 105242 115869 70658 127481 108603 Esi-0.86400014 :1 32644 40405 36646 33257 34072 36138 35155 34280 27626 37134 1 30564 32914 34772 34766 33973 33767 61353 32159 35347 30098 33629 29867 62472 25846 C5 H10 O3 Esi-3.7269995 85743 28415 37896 57555 44110 34555 50756 28563 20409 44330 1 44384 38997 45864 33936 46695 46311 31694 41982 46852 32204 50519 57749 29708 30075 C23 H2 N4 O21 S2 52483 58955 44074 44416 46913 47476 51499 42309 38179 55590 1 35014 35935 50852 44782 55431 55278 54140 43198 48757 31582 42172 30141 51183 28358 C4 H9 N O2 40625 57333 63009 51145 16312 55945 27623 53617 61998 50311 1 47818 56621 61913 60603 52908 56513 76128 61746 26657 36618 66139 55095 64576 70705 Mesaconic acid 81866 81460 48696 52230 50505 60901 76566 51337 67613 56695 1 36623 42232 52542 48270 51020 45977 21786 60516 84361 43983 65918 67175 32341 59014 C23 H24 N6 O3 42000 34605 44099 30261 31146 34151 40489 31820 42761 36174 1 35710 36658 37851 34565 37455 36695 45746 45068 43821 48809 41849 52463 44113 33717 Esi-0.86700004 :5 46584 48265 51964 58207 46661 48293 51140 50909 43043 49593 1 47611 45024 46625 48406 42646 41034 27230 48689 56061 41480 41885 50275 33697 42309 > limit Esi-0.8419998 :5 40501 38736 27891 27809 32410 33441 36672 24565 25156 38588 1 24524 28749 36663 31009 35912 40927 75145 37119 32603 28206 31723 26459 64823 18064 C10 H8 N6 O6 37182 44486 41103 55239 29701 37638 30066 44497 23096 44998 1 31165 35198 41777 49994 24741 49562 32576 59210 54788 16739 32760 51545 51481 29451 C30 H25 N6 O23 93132 147061 175222 148366 110147 122237 163562 88739 73128 142714 141044 110089 143327 63657 132382 65044 154632 108386 75021 88485 92528 98513 163868 141996 100517 Esi-0.84700006 :1 30497 33903 47745 45803 39539 37008 39084 41277 52182 32760 1 45210 48085 38305 45200 36076 31033 22689 42183 35017 49668 38740 50938 21494 60636 C14 H2 N4 O6 S2 Esi-13.369002 :1 1 1 27851 45625 1 112028 37175 32266 117851 30914 1 24455 21230 14236 28246 15133 67362 18074 23369 1 1 1 15377 11281 1 C16 H2 O12 S2 27769 55698 33519 32096 18303 45104 31159 44639 47995 32548 1 19965 39089 37323 43217 45558 21817 1 37656 29540 29820 20990 33414 1 33148 936.834@0.8400001 9282 13959 7897 8860 1 9231 11757 1 1 11541 1 1 1 1 1 8942 11649 63617 8029 11608 1 1 1 64583 1 > limit Esi-0.8409998 :2 23613 26608 15704 16093 21390 18069 21912 11908 14313 23889 1 12701 13520 21277 17377 23554 27550 49660 16318 21147 16455 17307 9727 49768 5991 C19 H28 N7 O Esi-7.8049984 176703 22544 107956 77776 1 282196 1 152166 83421 67140 1 79537 69391 133358 62453 171279 238667 100141 96130 46456 62267 55714 1 55039 27830 Esi-0.84199995 :2 41037 16730 46349 44137 44061 41602 44284 46593 49257 45566 1 49259 43771 44851 46201 39387 40573 1 44505 46192 49640 43900 45259 1 50805 C54 H16 N7 O2 S2 35002 45961 72808 31591 43479 53967 75698 72226 73498 69486 85572 46525 63221 38834 293788 373019 77620 58623 69914 82689 54346 48300 63457 98517 106079 312.23@10.163001 52757 1 9797 85038 1 60515 1 23888 1 1 1 40924 1 1 1 92895 1 17889 1 1 14885 62778 1 1 1 Carnitine 39739 37677 45118 34601 33303 33311 37114 29481 33854 26718 1 31567 31767 38156 18616 44094 21901 38363 38649 40092 61874 49869 34788 45432 30608 C13 H20 N3 O11 16622 22308 23510 14639 30473 18506 29877 16247 26351 21499 1 16936 20576 30041 29634 57991 13717 41680 20839 24648 54565 40770 30622 28951 30928 806.9927@14.027 62811 1 161782 68371 1 151136 1 14262 1 1 1 1 1 1 1 1 474239 1 1 174874 1 1 1 79426 129338 579.3165@9.113999 8451 1 1 40448 1 28779 1 33820 35391 1 1 14773 18287 41352 1 21815 69501 21550 25874 1 1 17768 1 1 1 C9 H16 O3 20709 1 31536 41379 1 72414 1 34960 49474 126558 1 110018 71453 32641 14437 25027 52069 17491 45467 150516 144667 32175 84568 34168 76952 C8 H3 N2 O11 S 40640 35538 38355 44165 82880 43342 30850 40017 45910 20984 1 31953 13486 77498 23779 33870 33735 37410 45107 1 119182 16176 48712 17326 390870 C7 H14 O8 Esi-0.93199986 202326 278606 230829 212971 298410 219877 311848 29265 235780 249772 1 243249 11814 256289 301602 510137 117634 281788 41370 206814 354998 45791 38979 244509 218987 376.2251@7.912001 18232 1 1 34055 1 103476 1 80687 72500 1 1 31753 75486 1 1 24569 43996 23594 26585 30354 49418 26280 1 28565 1 C40 H12 N7 O S2 20054 22884 43565 43160 14016 23819 19805 45756 25575 21273 1 25997 24946 21145 47410 13296 17218 1 31887 21472 20599 18177 49866 1 40988 Esi-0.84600013 :3 25433 24959 47585 36976 38150 41377 29282 43351 40589 25188 1 49775 45838 38742 44106 34527 29352 9167 37623 35950 45793 40105 45962 8561 52108 C25 H27 N6 O22 17931 27312 20160 27228 36191 9764 31213 22966 22503 19931 31611 24095 20802 36648 20174 23256 29530 34176 35317 28600 26528 26552 31072 28977 40680 Esi-0.8710001 31464 38746 33795 40856 31417 30497 36279 33369 20830 37158 1 29497 28421 33376 33034 28352 30330 48071 32739 38374 21800 27209 32519 53161 23484 162.0505@1.241 72592 26554 19103 22734 23576 20959 16818 1 1 1 1 1 1 1 12093 1 1 1 1 1 1 1 25484 1 22452 768.3434@5.0120006 12765 1 18351 1 1 41885 1 1 1 1 1 1 56739 14388 1 1 1 1 19410 1 1 9855 1 1 1 284.2712@13.984 1 1 1 1 1 58088 9132 1 28292 1 1 1 1 1 1 1 13613 1 1 1 1 1 1 1 1 Esi-0.85799986 :3 44872 51770 57876 54081 52518 52929 56745 58292 50375 53451 1 55836 50135 51538 52185 54265 49394 23364 49076 48651 54023 51880 53141 23041 47837 C6 H2 Cl2 N5 O S4 38900 50851 46671 41909 41099 44031 48842 43704 30915 42520 1 36996 36162 42460 36667 41590 41707 53799 37690 39421 33096 38004 35550 54225 27641 C19 H6 O13 S 1 47738 27430 7781 22709 49014 31560 45442 50394 57394 1 1 26395 47633 27672 27185 15964 1 41005 8801 18797 24178 43684 1 15511 C31 H49 O10 Esi-8.814 16569 1 11662 29953 1 36757 1 62552 29490 1 1 19332 12451 26552 14312 16531 39822 32917 30186 10092 48782 14758 7281 14361 1 C20 H32 O4 Esi-9.593001 722334 74260 269360 282391 1 446128 1 504608 117778 34718 1 183681 348152 100561 163416 331766 233916 67483 400100 220643 148196 147998 31739 305020 62729 C5 H2 S3 65033 23666 24666 30762 28105 25730 32390 26615 23265 27726 1 25255 31946 23075 24405 27598 29002 1 22602 32087 21008 21061 19854 1 17182 230.1514@8.195 8434 1 20243 10981 13298 17231 58649 8422 9621 30278 1 1 1 10037 1 1 15025 7336 12992 9506 1 8817 1 1 1 C15 H8 N O 58643 14567 18291 50242 15348 13484 18976 13344 18882 20016 1 25149 7933 19778 9923 18563 15273 11594 27255 35423 27498 24661 46463 18159 31064 C13 H23 Cl2 N S 8777 31719 22413 13257 29991 28554 33270 26998 74723 39530 1 10439 30139 54817 31321 37696 28617 1 47059 19133 53867 43843 41938 1 56621 C4 H8 O3 Esi-1.5699998 :2 168483 241475 431991 411509 749131 196251 432925 149367 414823 490665 1 491020 295357 390969 511033 282931 1001273 1488410 475898 222806 187229 271595 433071 290105 249933 C10 H15 N8 O2 11787 8875 33229 16318 8718 23567 8337 29336 17788 13075 1 18554 26001 44573 11457 56918 1 25232 16747 20501 17267 26452 20019 19184 36785 Esi-0.8409998 34686 36931 43951 36562 33405 39978 35141 40464 37698 40495 1 38856 42139 38343 43486 40382 30251 16958 39395 32542 41047 32382 42353 21070 46141 C6 H13 N O10 23624 36858 24554 26576 27698 24990 35563 23649 13473 30304 1 18939 21072 24190 32962 44255 14677 20764 27134 24708 22164 20962 25071 18098 15969 616.3133@5.4210005 1 1 10091 1 1 37242 1 8223 1 1 1 1 23787 1 1 1 9810 1 1 1 7550 13504 1 1 1 C11 H10 O3 S 26130 47507 40934 46541 31369 40004 35701 46953 20198 47666 1 40897 29686 35075 56166 24484 38577 29820 54664 38362 24224 32555 51505 39677 27025 Esi-0.8509999 :2 54679 50906 54139 53914 47573 49772 48647 54030 55335 50385 1 51955 52066 47768 53305 50155 40209 13771 55352 49927 50807 49002 53456 11603 51148 317.9548@13.627 1 1 1 12042 1 40845 13668 7802 38737 10572 1 1 1 1 1 12919 7850 1 1 1 1 1 1 1 1 C29 H40 N13 O6 18961 37775 33390 41565 33915 21146 38792 34727 31610 44032 1 40138 31444 41850 38019 27679 36121 60576 57408 37237 47634 44590 42506 39195 17788 188.1411@8.258001 1 1 1 194370 1 37223 1 1 91006 1 1 101465 26879 1 1 1 1 127954 26854 77943 1 112275 31866 24907 18993 C12 H10 N3 O11 12179 43357 31061 14798 32761 47496 34830 44836 57975 48824 1 1 33948 51822 32584 35788 24632 1 42106 15703 32955 34319 38449 1 30637 C31 H12 N14 O4 8627 20504 23609 1 20933 37694 22115 39386 63330 27832 1 7307 28824 39855 24272 28863 16396 1 33837 10490 36821 31609 36388 1 43224 806.9921@8.086999 12929 1 9232 1 1 20720 1 1 1 30021 1 1 1 20336 1 71677 1 168426 122053 1 1 1 1 12430 1 Esi-0.86599994 :2 38193 49016 41598 44004 42228 42603 44542 40981 32436 42676 1 38511 37177 39545 36748 35789 38228 58938 44277 39231 33720 35785 37933 57897 30967 657.8915@11.551001 22367 1 1 1 1 6879 1 1 18146 1 1 45290 43570 1 1 9333 98578 1 45731 1 1 1 1 27984 1 L-Glutamate Esi-1.1499999 42155 15236 1 15999 1 16545 14334 20301 10949 14925 1 10984 15475 15019 15535 17524 14764 13973 12227 19380 9910 15534 16137 11808 1 C20 H34 O6 214267 26282 131178 91491 1 343631 1 183737 105744 31124 1 95691 124838 161249 74353 210118 258739 120326 175670 49408 36758 104537 1 99686 32426 C27 H58 N9 O18 S 26425 32499 32498 31132 28324 30418 32543 29984 24367 26933 1 30436 26449 29694 26472 28850 31157 60822 25791 33417 25169 26004 25974 58030 21296 C7 H10 O6 S 11751 30846 40203 32261 22106 22973 24027 35840 26146 24350 1 25257 36522 26547 36215 42333 58824 30314 36765 31053 53392 53264 53251 29800 35281 C22 H32 O3 Esi-11.563002 95357 49646 93013 84229 1 161637 1 41200 97844 1 1 67905 325870 14229 1 100698 110852 31467 26578 17210 42210 1 85258 1 1 394.2353@8.301001 19900 1 20923 1 1 74521 1 17189 43421 1 1 1 40062 27114 1 15660 38055 1 61906 1 1 1 1 1 1 294.1833@11.233001 27664 9680 1 1 1 41209 1 1 14668 8534 1 1 8974 1 1 1 1 1 9130 22254 1 1 1 1 9735 C9 H13 O7 Esi-3.2050009 17896 37645 32832 36757 28953 26172 29567 28469 35083 24978 1 21766 27207 41310 22203 31353 29693 49295 38296 41237 47110 34171 40130 38389 40475 C9 H14 O4 14819 1 9054 28583 1 64915 1 30696 44904 1 1 23776 13923 32278 12153 27785 47992 15586 25034 10873 1 24894 11024 1 1 Esi-0.8549998 :4 36062 44630 47260 45912 38921 43083 40820 47248 48677 40836 1 46178 45857 40908 44407 38691 40280 55856 45285 40720 44571 40774 48638 54665 59430 143.9204@17.83525 106325 1 1 114930 16150 111041 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.89800006 29074 10703 17072 40400 15363 8426 9807 11180 13562 7733 1 56427 14569 6756 10479 7969 24955 33768 15294 31744 9833 11721 11774 44760 22567 Esi-0.78700006 77700 80948 45029 83414 73354 78725 82235 81283 86345 87205 60734 70178 78726 54711 84319 82821 32247 65710 75244 86257 84173 51491 91260 59850 68082 Esi-0.83 27941 43822 43239 40275 30539 45206 38040 52914 50376 35024 1 33412 43895 40578 48918 40082 25987 9025 50246 34613 36345 31223 49429 7367 45709 521.9161@11.546999 38538 18418 1 1 16758 65592 1 44193 137856 1 1 21217 1 1 1 1 67663 156724 1 1 1 1 18896 1 1 C18 H32 O4 Esi-11.395998 50751 15836 11334 65364 1 69964 12762 27908 39587 23562 1 23550 18661 24208 22346 27635 70242 54633 26051 34051 19170 18479 1 78435 1 Esi-4.8949986 25159 38478 36219 38394 40638 31791 29952 42655 37122 35642 16239 38341 36962 45971 40161 34145 41342 35670 43254 37052 47725 37810 47095 35202 32011 C10 H13 O3 20938 13264 29763 43547 16000 103269 37450 37648 59393 25580 8820 22630 36346 18540 34518 23161 40043 24544 32369 15751 13889 30472 24763 16200 16563 Esi-12.145001 35363 33093 52320 71874 15372 44077 80238 15278 95781 47692 29477 56404 37619 82501 42277 65724 18068 92544 60788 31724 41891 57014 52341 56155 88687 Esi-0.8570002 :3 42687 51239 50152 51080 53062 49938 52651 51046 48241 53243 1 51804 48696 53523 50515 49489 44279 23729 51539 46844 46238 51567 47311 24570 43785 Esi-0.8969999 27091 10653 16074 36758 15224 7516 8951 11093 14293 6425 1 56579 13816 7630 11021 8331 26804 33161 17198 30990 10814 11737 10095 38699 22030 225.0686@14.216001 1 1 1 1 114530 32797 32062 1 1 1 1 1 1 1 1 1 1 1 1 61474 1 1 1 1 56383 232.9447@13.412001 1 1 1 59476 1 50264 1 1 25268 1 1 1 1 1 1 1 1 36788 1 1 1 1 1 1 1 C33 H2 O21 S2 30528 35330 23834 23989 25971 30672 33433 26333 22836 29435 1 20562 24207 31569 25682 30917 27981 44530 28330 26942 22391 27767 17936 49528 15074 C9 H2 N O4 S 53556 45733 37965 54041 37924 42473 43359 38421 14172 47339 1 37485 28897 37822 44892 25708 25099 43099 47372 49062 19461 28405 38343 63348 25524 272.235@12.429 1 1 1 8297 1 49614 7364 8781 23340 1 1 1 1 1 1 1 9693 5606 1 8154 1 12658 1 1 1 C15 H3 O17 S2 16558 44058 31752 23760 34795 32804 34992 37205 29504 41292 1 30247 34329 30976 29514 29551 26305 1 53770 23441 29785 29216 36181 1 33072 C35 H27 N O29 S 52536 43377 47210 45931 48091 21602 32952 34252 37609 55583 44107 44650 47868 50178 46151 41779 74889 56082 51815 48854 45774 54096 53147 51565 49498 C33 H23 N6 O21 S 154312 212211 126245 159434 116921 72249 91540 150522 94093 140991 108982 186388 117695 192398 248774 50621 73949 122688 73289 123986 96222 90472 71583 124035 160605 621.3271@7.916 1 1 30404 29409 1 40479 1 60413 40669 1 1 15624 1 36889 1 31556 64902 56237 41254 1 1 1 1 15894 1 339.2043@13.977998 1 1 1 9564 1 55888 15649 13130 37088 11134 1 1 1 1 9207 8546 21296 11183 9233 1 1 1 1 1 1 C5 H3 N5 O4 S 188216 246859 231088 208181 195330 223532 221302 238914 213263 228423 1 210604 211083 202839 208375 199717 198770 243633 213151 187833 185719 206447 209341 237518 182020 C57 H103 N10 O2 46233 58915 53146 52169 60563 56474 57052 52721 53063 58690 1 53902 52792 58092 53589 59770 56112 39048 51426 54547 53342 54932 43818 40005 39242 589.9036@11.4400015 44111 1 32964 91714 1 8418 1 1 1 1 72997 26472 40542 25354 1 1 1 33900 72985 33598 17244 1 57989 24837 1 C48 H101 N13 O3 42923 51157 49021 57227 53817 50352 45625 57085 59883 47278 1 58585 58237 53788 59769 52161 47513 11907 50309 47447 59414 53729 57608 12641 54126 Esi-0.85899997 :2 42738 47506 57312 50964 47241 49364 44094 53843 52438 49625 1 53189 49896 47730 46911 47267 43088 18711 46493 44963 50444 44288 50693 17598 47561 438.1684@7.955001 1 1 1 1 11329 21806 1 1 50698 1 1 17953 1 1 1 1 1 20505 24087 32664 1 11843 9916 1 1 C36 H9 N2 O17 49457 55742 47905 58130 44370 45896 53140 47551 23104 44709 1 55308 37820 37027 49938 41092 49560 1 60587 59303 30839 40392 46553 1 41003 > limit Esi-0.84700006 21498 26629 43702 43801 32155 33944 30972 48662 49560 29715 1 50180 47162 31872 47964 26419 20241 7238 29467 26714 49680 42130 49839 7434 60170 Esi-0.942 39088 30289 26430 24493 34444 27317 26533 27290 32712 27797 1 59251 32937 22988 25761 32949 34837 1 49696 32873 43915 39786 30269 1 60118 Esi-0.86700004 :6 22177 27468 32129 26188 25047 27420 28443 30301 23303 26636 1 27291 27161 28060 29270 26515 24130 23706 25553 24532 23750 24217 27035 20457 25303 C8 H12 N4 O3 Esi-13.6310005 45021 90460 37819 58055 53757 61991 19903 54560 184653 82323 1 67749 40271 65069 61659 59592 51097 75019 33950 59516 75432 81187 51053 32224 83865 956.9772@2.6991246 1 1 1 1 1 130629 104588 302221 54431 30803 32094 1 26027 38344 1 1 33060 16120 13530 13467 19145 73030 41204 202401 1 C3 H4 N2 O5 S Esi-1.0760001 66953 118395 110126 21236 91513 132808 9873 114322 120677 68061 1 73024 111443 78331 116462 98755 6390 105904 116932 41314 104344 107066 103864 79428 118653 > limit Esi-0.934 15318 21247 17448 10618 24408 22095 20445 20838 31095 23356 1 23974 22627 19380 18169 26819 21058 1 41469 17459 33493 30030 24473 1 46807 C16 H4 O17 Esi-0.8419998 333780 354557 310536 291154 327404 348611 345600 314686 304564 347239 1 283051 295922 354507 293865 335682 340045 470027 320276 308099 274035 297577 267544 477314 229072 C31 H34 N10 O25 27953 42004 30394 25077 20273 41353 36894 42603 9277 44169 1 10751 22298 48821 40745 26429 24522 1 59702 30628 11536 23626 40144 1 22646 Esi-0.8500002 :1 45873 31485 38925 39432 31316 38793 34367 46558 44474 31607 1 36508 40951 27981 38946 31386 24070 1 37311 32535 38896 31690 46346 1 48908 C17 H5 N O10 49825 50047 53532 53164 50721 45950 51310 43027 47596 47315 42091 50829 46746 59261 50317 49608 46719 49438 53961 51846 49437 52554 54658 53182 53678 C30 H65 N12 30071 36033 45209 48608 40508 36435 36988 47258 39603 34706 1 50539 41536 37555 43840 36671 35328 14874 38856 39012 38649 37636 41813 14168 45392 C15 H2 O17 Esi-13.9819975 1 1 12774 13159 1 51573 11564 10706 27670 10983 7667 1 9342 7460 9693 15757 16018 13688 11606 9542 1 10829 14747 11151 8962 C4 H13 Cl N3 O3 46682 10720 50298 1 1 65815 9095 31782 19642 1 1 11686 31440 36231 18662 18653 25469 14618 30563 11508 12873 19648 16289 19060 16643 C32 H46 N2 O3 1 1 1 13027 1 15246 12513 12478 21692 14439 1 12484 6903 1 11116 17027 23726 10739 12921 10776 10291 10471 13824 1 8985 > limit Esi-0.8419998 :6 40952 43760 39717 37071 47464 42942 45880 39062 37360 43219 1 41239 41100 45451 39817 46679 43621 22305 41969 45944 44911 47295 36168 27429 30057 C20 H32 O3 Esi-11.604003 1060471 45493 607997 119162 7313 449491 17975 234056 68348 19455 1 78450 662672 41462 74207 228306 227567 86000 190079 123591 112929 85947 27103 148296 41951 C11 H2 N3 O S Esi-1.05 1 20709 19903 23132 19581 21926 22443 22668 1 19435 1 24949 16782 17101 22274 1 20513 58051 23077 22609 1 18024 21626 77308 19078 C26 H20 N18 O13 S 61369 37182 67197 73801 59385 102809 72691 75108 82790 74694 32223 63316 28790 22452 59534 46040 58736 79771 69085 74223 54212 50120 62625 52970 72315 C13 H2 N3 O12 S3 Esi-0.79300004 62795 95970 81774 83623 70466 88192 73903 95597 106081 75216 1 81025 96256 83169 95938 41943 32443 1 96797 31225 88142 34758 104956 1 111869 979.9844@17.073 1 76516 1 189414 1 80655 32872 1 1 1 1 1 105509 1 1 1 1 1 1 1 626154 1 1 1 1 Esi-0.8799999 :4 37582 45462 51100 52505 40681 45638 50523 49126 41220 43122 1 49123 43420 44483 42131 44345 43911 30502 42391 47545 39620 41721 41704 27895 38347 C13 H29 N8 O5 43009 38720 41752 39218 40027 38525 35695 40784 40378 37637 37551 41164 38760 53008 39818 42702 42034 52473 48118 45303 49422 48592 42522 42274 42346 C10 H16 O6 1 1 1 8617 1 55619 1 25879 18443 1 1 12813 11370 16563 9426 12862 11899 12990 19689 1 1 9126 1 1 1 979.9833@11.554 1 1 1 50858 1 7910 1 1 1 1 1 1 41693 1 1 14223 1 1 14185 1 28300 52617 1 1 1 C19 H26 N7 202533 15306 62639 11794 1 44259 1 54256 23803 1 1 8204 28848 1 17545 29358 13355 17736 108386 53823 27171 39484 1 43632 1 C18 H22 O16 Esi-10.837999 189135 158683 133878 71759 120292 117391 166337 108032 150965 174503 120107 102321 196180 348945 179128 109585 121653 9021 196831 170075 213205 129254 215266 110152 198042 C11 H6 O6 23231 38054 35898 47567 32771 30268 27248 35602 21681 37378 1 42104 34650 31307 48255 21858 46503 51939 39875 36029 16594 31361 39504 55082 24712 C6 H11 N O4 58522 7548 8957 7800 7110 16298 11921 7021 12936 10602 1 7027 9559 8918 9100 13042 17262 12074 9277 16050 8904 9779 8186 7200 8229 Esi-0.8330001 28934 43088 44106 40385 28732 44293 38167 50687 44319 40838 1 33074 43894 42343 49131 41472 31363 8112 47817 36933 40782 36374 48849 11369 42889 Esi-0.85899997 :3 37165 42522 44050 39800 35410 37983 37092 44320 41885 37378 1 40748 41582 36373 38085 36284 32459 51627 38886 38725 37420 35206 47791 49412 43083 C30 H49 N4 O19 30011 20888 38713 21958 22275 60255 30487 35351 64411 29646 1 24114 26426 21873 22662 25385 58291 50665 37327 53851 16281 43140 38591 34890 33956 > limit Esi-0.8419998 :7 41719 45200 40768 45805 42124 41258 44629 43622 47571 50036 1 43339 39549 43788 45802 48736 45897 54360 49608 44303 47083 42667 43099 55886 43543 C30 H30 N3 O17 47359 1 28019 29361 1 36574 1 32670 18227 1 1 16738 32306 1 14918 21154 24393 13037 29027 15638 1 16128 1 20560 1 C7 H17 Cl3 N7 O S 38650 139085 142214 60168 105255 191383 126979 213844 272230 173271 1 49877 143867 179765 146735 130990 79384 1 174974 50363 146941 134731 220064 1 173891 Esi-0.86199975 :2 25153 31771 29166 28884 24688 27500 28471 28047 23417 26262 1 27228 25795 28794 25276 26042 28033 52161 25221 24995 25150 25323 26578 46885 24645 C23 H14 N12 O17 33675 33844 32374 32967 39976 56846 41874 38488 48787 44452 42836 37242 34686 38718 56975 48272 51612 45914 47336 38576 44325 47184 40097 41095 50746 C8 H7 N7 O3 1 27476 17474 53635 25885 20943 29083 21437 22012 20333 1 15276 18672 32158 14345 20672 11021 25882 23001 22158 17855 19301 23828 27286 20846 C7 H6 N2 O6 109494 112503 109599 116157 121353 102545 119683 180784 107648 125039 147239 111271 102247 122078 114152 108465 90157 125173 142885 132618 140916 114898 169032 97578 95462 C23 H17 N7 O22 64696 65893 64058 57219 69422 50359 66050 56437 69117 66941 51358 68324 67093 67041 77220 68457 74223 75036 69421 69184 75357 72910 91503 64139 65716 C33 H15 N11 O26 15248 1 17046 34194 18041 16935 18731 16404 16284 15531 1 18040 1 26239 31681 14223 16154 14297 10945 17098 9921 34743 1 19062 1 > limit Esi-0.8419998 :8 46836 42886 35962 35361 40336 43819 41899 36743 33362 43501 1 37378 31921 45303 36270 45132 45799 40281 43340 46995 33940 45405 30755 37982 27954 C8 H5 N3 O2 S 31638 38323 38743 36800 10029 42468 18502 38812 43383 35234 1 37927 40209 36842 43825 30317 32480 55568 33546 18229 21950 38650 33042 57394 31977 C18 H O15 S2 16639 38678 28664 22174 29376 31379 31288 33354 27738 35242 1 30158 29530 29588 26914 28598 25245 1 48992 23555 26314 29924 31023 1 31428 794.3641@0.8400001 10246 11855 1 1 9136 8058 9937 1 1 9769 1 1 1 10688 1 8861 11115 47807 7562 8186 1 7433 1 50685 1 346.2507@11.522002 40654 1 36300 12208 1 239182 1 71426 53792 1 1 30622 57261 1 28511 67818 12802 1 11537 7626 13892 39821 1 10232 1 Esi-0.86300015 :4 41892 54075 43174 39874 50120 46357 57013 38493 37070 50974 1 38855 41601 47407 42787 45416 45270 74592 45748 46439 39289 41843 36367 72076 30959 C9 H14 Cl O3 20502 21400 34388 15028 29778 27716 35428 25262 25885 25015 1 18832 25330 29281 21767 48565 12320 28864 24839 14518 40543 32467 27703 32824 30287 Esi-0.8509999 :3 27670 29411 26340 25335 27144 23690 25919 27408 23428 28782 1 25856 23018 29075 24873 27226 28641 51077 25057 27935 24888 24466 22687 50778 21097 C44 H91 N8 S 32206 42190 40326 42765 36073 34155 37081 41008 26704 30453 1 35177 32050 36201 36973 30880 29855 36308 37428 38631 29592 32388 39270 43954 33188 C12 H2 O5 S Esi-1.0750002 21748 22336 29533 25729 40346 50046 31054 52510 42965 37774 1 41008 43946 34225 41851 38720 45563 17695 48671 28739 46714 44323 37496 24860 49679 381.2125@11.274001 48862 1 15542 20043 1 28121 1 21902 13036 1 1 10214 21248 1 1 13401 17935 8657 18098 1 1 9060 1 13763 1 558.4639@14.669 1 1 1 1 1 75994 12993 15187 25783 13105 1 1 1 1 1 1 48148 9021 1 1 1 1 13554 1 1 Esi-0.9090002 47555 45353 40867 51178 29214 38117 44230 43341 13010 42719 1 30050 33576 36318 46218 30479 32037 38725 42475 48247 17930 31799 39377 57313 22676 C9 H4 N O10 S Esi-12.949002 64850 1 35128 30078 52613 36234 23706 48532 74175 21818 59944 62842 152089 21170 41602 1 42274 81272 55564 40841 36337 23161 193773 1 1 C9 H12 N4 O2 16306 18083 24202 37706 18464 49629 38071 37922 56592 28701 17416 18996 26037 19353 30958 31371 54815 28513 30947 14887 14552 27637 23051 14925 13014 C16 H21 N O18 S 28321 36844 26732 24569 38516 27435 37971 20913 29139 26907 1 37710 25949 26658 29433 60097 12369 1 30720 22856 44327 32577 25068 1 33525 C5 H4 O3 22559 40510 24663 38969 23083 22698 43663 37595 48419 55603 1 12530 32123 28706 41036 28951 22972 1 39093 34453 31923 37918 56868 1 35212 Esi-0.89599997 :1 35311 35944 30704 40529 23296 26169 32273 28533 12844 28211 1 24473 24627 24709 32051 25579 25838 26980 34284 36245 15376 22604 28635 42327 20822 668.5395@13.028 1 1 1 5960 1 53258 6242 1 31763 1 1 1 1 1 1 5819 11204 1 1 1 1 1 1 1 1 C3 H5 N2 O4 32547 38468 41814 49932 33249 30464 37210 28162 16347 41681 1 36809 27505 38087 49706 24805 40509 43327 47499 43626 16244 27878 39054 52651 24532 Esi-0.875 :2 34932 42223 34021 38423 35551 27484 43151 26633 17717 39087 1 22439 25286 29968 32432 27217 29459 45526 30623 43129 21843 26759 28439 51382 23408 Esi-0.875 :3 34591 33239 30134 38764 26621 28969 33553 26280 17204 28973 1 29112 27157 30280 31145 25420 27233 39649 31858 36363 20380 28408 27084 48849 22591 983.9964@13.634175 60587 22060 31559 1 17694 28274 1 21350 9123 19967 15849 17638 1 1 1 31142 17748 1 17318 1 31346 20159 22189 1 19986 Esi-0.8789999 12549 14296 10014 10360 11162 11563 13219 8922 6679 10528 1 10028 8078 11813 7599 11339 14584 51495 9525 12126 7752 10786 1 48905 1 C12 H12 N O10 Esi-0.92399985 83902 209977 240616 114174 191190 8083 211955 349748 470267 271262 1 111320 260513 292990 258418 223833 138270 1 1 100077 274615 235058 372751 6763 352559 550.1734@1.0010002 5289 1 10772 1 1 7692 1 1 15660 1 1 24588 1 1 45696 1 1 11811 1 1 1 1 11164 17853 8994 307.9259@13.382003 1 1 16642 23015 1 20704 13722 17554 30380 11166 1 1 1 1 15006 12974 25128 12539 11993 1 1 1 1 1 1 378.241@10.196 21470 1 18835 1 1 49747 1 1 21138 1 1 1 51064 13342 1 1 19056 1 11842 1 1 1 1 1 1 C13 H18 N8 O2 S 12775 25734 31204 11010 34588 36882 23672 41144 25115 21349 1 27440 34083 34532 37109 35991 39684 34439 46274 25401 29646 38018 36775 47786 40059 C42 H20 N4 O4 S2 152866 40331 221254 49816 208116 251940 48146 55095 64281 136853 187653 198694 195960 227785 191800 210594 63621 61868 121756 240982 135396 128762 223130 216177 184006 C19 H24 N2 O22 30545 30583 45096 44043 22884 57869 25489 35479 52545 34331 36036 33026 53669 19278 45891 47778 65311 58520 47953 50901 30917 39280 28379 51321 22132 C29 H60 N8 O20 S2 20969 20398 13460 13834 17545 16613 20943 12354 10852 20163 1 12101 12885 21995 12508 18492 21898 46878 16715 19091 13861 17055 10078 45302 6738 C17 H26 O4 Esi-12.947002 :1 14473 1 31957 34393 9327 139516 56782 38862 123221 45978 1 9462 28349 1 32776 22752 98017 12353 33381 1 1 13578 10140 1 1 C6 H6 N O5 S3 32938 38886 45175 45356 43605 41802 37657 51803 59392 36673 1 48249 51602 40753 55533 39296 35798 7398 44925 39950 45991 42451 53543 9165 60599 Esi-0.86300015 :5 35090 42004 46839 47487 41786 43508 45134 50130 44250 42831 1 48807 45239 39804 43970 41316 36501 20607 45575 39432 40707 40641 47402 17365 44033 C8 H11 N3 O2 1 1 15719 13198 17381 21324 19648 13310 23459 45077 18681 16129 12358 10377 10915 15729 30202 19734 18199 7521 7444 13288 9233 1 1 Esi-0.89200014 :2 52100 47263 54358 70052 35666 40327 44735 55658 22546 42108 1 39751 49809 51608 66771 37899 37976 34667 52451 54693 23031 38322 44434 51710 48002 340.2417@11.276 84198 1 18223 22969 1 52186 1 35567 13125 1 1 9202 27489 1 1 13244 14466 1 16749 1 1 1 1 10650 1 C17 H22 N15 O4 91584 1 39180 44063 1 67972 1 53328 25923 1 1 22962 54727 17485 21373 29160 36042 16658 41058 20933 10791 22694 1 29580 1 C35 H27 N2 O28 39000 33406 122771 29778 35418 20309 27921 112144 27745 29851 32442 37585 39844 37225 36465 42594 140779 51176 44089 27576 43639 33949 42521 37842 45367 204.0737@0.9099999 15942 48802 1 1 48042 55198 23105 1 6177 60889 1 1 1 25715 1 16463 33569 7814 28672 44672 19811 28276 12288 1 1 Esi-0.86700004 :7 25361 31605 26998 23008 23964 27245 29060 25107 20347 27531 1 23427 20892 27544 22669 27598 27106 45812 26087 22951 19321 21667 22130 44855 16855 214.0816@6.432999 13344 1 7691 13376 1 52848 1 16975 18821 1 1 8999 11255 14164 1 16022 27575 10118 23507 1 1 11412 1 1 1 > limit Esi-0.84799975 18685 1 31017 33639 21975 28483 22746 36520 36930 1 1 36712 33504 25490 30277 1 20673 9322 1 20723 36082 24878 42043 9596 48540 > limit Esi-0.8419998 :9 35382 34964 33583 30592 38984 35682 36676 31435 28448 35710 1 31507 31080 38180 37054 38242 37946 23714 36714 41911 34091 36674 26623 24450 20788 C58 H103 N4 O5 49027 46191 52127 53327 46975 50690 47550 51110 53017 49361 1 52392 52481 48420 51616 45353 40671 30430 50093 50477 55443 47523 52500 32335 55954 236.0813@1.0500001 44205 1 13451 1 1 51750 1 12049 1 1 1 1 35839 10159 1 9515 6898 1 12511 1 1 1 1 1 1 C10 H2 N3 S 52243 48826 49450 48489 55718 55312 48076 50259 56297 50468 1 53212 51963 52514 50948 51617 48819 59176 48931 48489 45032 44947 46404 63228 42693 L-Leucine 1 42270 51871 1 31121 35591 14052 17612 1 14996 1 1 12533 55012 18043 31147 43935 49369 48867 50331 63303 61724 59730 42031 75420 C16 H26 O3 S 48309 50689 38523 53905 49210 45821 44617 49915 51296 54065 33757 46115 44945 48415 53064 37032 48821 42768 55739 55811 52468 53775 52532 55186 50152 C5 H12 N2 O2 45604 54203 11012 46264 27947 34985 53313 40715 45454 40150 1 26392 31009 37621 29763 29087 27402 38156 31329 39398 24995 34340 39838 38945 41737 C5 H8 Cl2 N3 O2 S4 29952 33022 36221 38155 24099 33437 31813 46056 42258 33683 1 33696 38213 25714 35245 29084 21736 1 37245 29688 32949 27089 49952 1 45855 > limit Esi-0.8419998 :10 43131 41998 46496 43262 48075 43439 40357 46073 41827 44578 1 47395 49183 45035 48450 47360 43844 18099 46260 45409 47098 46744 45361 14517 36335 Esi-0.85400003 :4 20224 24193 36467 35544 31651 27165 31189 41490 43621 31412 1 38622 35393 29279 37610 28797 24904 7225 33630 26815 38836 32381 50373 8843 60584 486.3202@11.756 10115 1 1 1 1 46763 1 1 6699 1 1 1 6741 1 1 1 17319 1 1 1 1 1 1 1 1 C23 H22 N5 O17 7458 25499 22632 12972 12867 35698 26209 29716 45796 13500 1 7853 22820 37370 25094 32533 24303 1 34755 16138 34746 29928 11486 1 43533 C18 H34 O3 29059 1 47488 32028 21358 59223 1 27438 32298 1 1 29973 36042 1 24561 21767 42758 35213 39197 1 23569 35016 27831 17978 1 394.275@13.627 1 1 1 8580 1 43269 11773 1 29068 8680 1 1 1 1 7305 10822 28650 1 1 1 1 1 1 1 1 C44 H93 N3 O5 42330 52526 42994 52051 31495 38168 48997 50351 26830 46863 1 40228 35037 41475 51050 41146 35156 45277 53189 52675 28709 35642 51437 54413 37986 Esi-0.8530001 :1 25580 36356 37899 35416 31600 34136 32473 42364 42191 31636 1 39756 36210 25071 39385 33794 31065 40132 35034 34272 40740 34291 42918 41649 54016 C5 H Cl3 N2 O8 S 38832 36489 34556 41118 26697 30780 32043 28075 9309 25285 1 27537 23221 28940 34105 21744 24793 30111 31346 38935 15792 24572 30362 43780 12038 C19 H28 N6 O4 30082 9126 27354 34367 1 43056 1 42977 21548 7218 1 20512 25400 29005 17627 30006 46642 43186 31613 13889 20475 22983 1 30608 7769 Esi-1.0090002 27327 15413 19667 22159 19502 15369 22708 17247 13562 16463 1 51579 18554 11175 14905 16368 31753 8247 17443 30642 20168 22236 17895 6668 21542 C6 H2 N2 O3 S Esi-0.8419998 1820473 1808673 1864703 1880381 1880480 1850162 1916971 1817103 1837565 1852373 662522 1875378 1892899 1837077 1869592 1922206 1784351 1905539 1765779 1840503 1872682 1865697 1814934 2031378 1814659 C27 H20 N13 O8 S 129601 77390 542763 143419 127708 146677 144584 106262 113069 36858 33087 101178 23372 19714 97664 113837 30717 116067 114886 631941 32309 116513 38106 36179 85353 312.2295@10.015 61847 1 10956 1 1 61317 1 22634 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29643 1 196.1098@8.132001 1 1 13079 1 7523 46452 26210 1 40887 1 1 12659 26087 22299 1 1 17113 1 1 1 22469 1 15329 1 1 Esi-0.8419998 :10 24302 26861 21107 18650 22552 22232 23961 15708 15876 22909 1 18781 17883 23969 18237 24452 26221 48857 17562 27620 17721 21103 14720 49845 11803 C3 H2 N2 S2 Esi-0.8439999 235438 239268 331216 335618 286293 281638 253519 348601 371239 260249 1 348890 343183 247909 318609 262800 223196 58080 259749 236466 347745 291296 375345 47602 429808 Esi-0.86599994 :3 26239 36733 48736 47144 40154 40957 37054 50538 47546 38305 1 43893 43764 37436 40997 37736 29761 10122 39147 32481 42004 36649 51184 9439 44798 Esi-0.85799986 :4 30584 37108 35528 34302 34326 36876 35543 33216 33719 36679 1 35643 34772 36009 34014 33927 32499 16373 33853 33032 31317 33737 37068 18903 29717 C29 H39 N20 O15 26673 1 1 53591 1 75137 1 34933 56800 1 1 18322 22237 20275 17677 30048 72932 30000 23796 21652 1 27786 1 1 1 > limit Esi-0.8439999 25556 25605 31013 34717 34661 33504 29354 36748 36229 27816 1 34664 35202 36058 36006 31455 30373 10218 34161 33513 41139 34427 35636 10398 39019 308.1987@10.183 1 1 1 51501 1 11685 1 1 7938 1 1 9966 1 1 1 1 8457 1 1 1 1 9298 1 1 1 C17 H30 N5 O8 Esi-11.287999 104348 1 40973 45722 1 71238 1 52882 26617 1 1 21203 52859 17425 21012 30947 32613 14323 39002 20525 1 21095 1 28919 1 C18 H30 O3 S Esi-11.106998 178169 181291 226583 238134 180244 144421 185114 189145 193688 175919 109194 121999 180575 188576 128098 193777 138505 261512 219982 169062 162985 160118 142314 187465 148527 521.9165@13.983997 1 13462 12417 11435 14622 36850 1 1 26684 8908 1 1 11629 1 13664 1 15245 1 7724 8213 1 10978 1 14545 11413 Esi-1.5690001 :1 36207 21273 67272 48358 122131 47630 110519 33479 86881 110808 1 80062 48735 97125 106916 50400 203413 320085 107693 33232 26498 62135 74654 56959 38497 C18 H22 O16 Esi-13.372999 15231 1 16593 23866 1 47677 26848 22634 18400 21442 35882 9216 44797 14539 24432 20322 1 12683 14245 23076 20866 16307 38673 1 1 C31 H25 N6 O23 78209 81260 83059 105512 79547 44524 82491 74029 70275 83704 97973 77083 104394 82977 84816 86083 95879 84338 88128 87814 84315 126422 97289 85409 40519 C23 H2 O7 18598 26008 33025 33015 20302 28279 27810 38440 13250 24023 1 26886 22333 17903 28699 17314 20542 1 25313 26395 14205 16207 38853 1 23503 437.2913@11.79 1 1 1 1 1 56370 1 1 25422 1 1 1 1 1 1 1 9315 1 1 1 1 1 1 1 1 > limit Esi-0.8419998 :11 36560 39815 40324 41582 45599 43297 40426 39020 34124 39147 1 40119 42779 44677 42836 44401 40942 17770 42303 42933 42511 45825 39926 20046 30471 C20 H5 Cl3 N5 O S2 17397 24986 34572 35580 29463 25613 24550 41589 39826 26256 1 32279 39913 22584 34490 24146 21764 1 31263 20143 37907 31933 45434 1 53388 Esi-0.889 26438 27943 22796 33905 19831 20159 22721 18054 1 22018 1 22215 20092 24661 24306 20220 24161 35307 27911 37397 10927 20631 22517 48317 18891 Glutaric acid 28553 22087 25280 20989 33611 19464 38401 18964 32914 23413 1 24121 23835 25545 25208 64244 1 34581 17975 22771 38418 28599 14166 30507 21374 553.3372@11.339999 16092 1 1 20363 1 68065 1 16992 36353 1 1 1 16483 1 1 18387 26229 19663 1 1 1 16311 1 1 1 > limit Esi-0.8419998 :12 27248 31123 32983 32507 38544 33990 30594 34431 35800 30356 1 39344 37852 37627 39799 36342 32811 13905 35918 35043 41119 39814 35837 10996 36789 > limit Esi-11.652999 20689 21243 19198 39673 1 44020 30360 41896 60716 24609 1 26717 34378 14629 35503 42471 68403 56029 46228 33574 42389 43436 34077 30244 37718 C9 H18 O4 Esi-6.1480007 32233 1 25431 19128 1 55161 1 37198 23852 16522 1 20758 18299 19040 18447 31032 30167 21582 33666 10724 10389 17933 15632 17008 10573 594.4844@13.735 1 1 1 50017 1 288284 54707 56533 169025 52769 1 1 1 1 28567 48019 257680 32662 41727 38928 1 1 47100 1 1 246.1464@6.079 18894 1 16651 17705 1 52362 1 25416 16312 1 1 1 13513 18197 1 25661 29633 15458 25035 1 1 1 1 1 1 C18 H32 O4 Esi-10.315999 :1 370620 1 51961 71362 1 340796 1 109982 58416 1 1 24603 83659 43297 22078 67621 91763 1 167640 27953 11339 54902 12261 13384 11714 C18 H30 O4 15094 1 1 49260 1 31090 1 16297 15056 1 1 17233 11912 7909 9912 12770 14382 7785 20096 15925 1 19724 1 12922 1 492.3659@13.979003 38149 36207 1 111717 53328 355434 180023 106871 301990 404965 1 49306 56236 1 1 96603 1 150794 1 1 1 68954 1 1 1 C25 H4 N3 O15 S 21314 24668 19440 21817 23140 23260 22076 16912 17489 26092 1 17361 17059 24524 20122 23996 23460 45211 19824 22278 16824 21057 17047 43856 12592 C19 H26 N7 Esi-9.666 201216 16382 62577 15750 1 69737 1 52247 23803 1 1 8204 62520 1 17584 31505 13025 18253 106445 53866 25416 63059 1 36950 1 174.1005@1.0690001 19052 11107 6724 1 11643 16992 7672 10334 17573 6199 1 6818 1 49903 1 9752 1 1 15182 18873 1 18067 9073 6709 1 388.2226@11.503999 45446 1 23940 1 1 23059 1 10968 1 1 1 1 23584 1 1 10577 9559 1 9157 1 1 1 1 7829 1 C5 H9 N O2 9207 16444 23203 15281 11472 12430 15874 12862 11823 12648 1 1 8437 22513 14574 19850 13088 29845 38681 37676 25826 32489 31428 29357 53298 C15 H22 O6 44556 27857 41973 26981 37295 31825 29298 33083 42522 39089 1 34271 23871 24947 34594 30221 44707 41225 35165 48592 39716 28749 48748 32464 32924 C28 H3 Cl2 N6 O13 S 12144 14962 8893 7883 10931 8613 10779 6866 6312 12368 1 6693 6402 9797 7294 11684 13306 52999 10273 11369 7080 9788 1 52151 1 C5 H6 N3 O8 20039 24658 7834 22466 38650 16637 53613 19684 42899 18288 1 35741 11582 27346 25373 8114 7965 25352 15174 45092 20309 27720 22095 23313 35390 C7 H6 N2 O6 Esi-13.627003 15283 9711 9229 29402 9603 35832 28984 27549 35102 29517 1 32422 20774 12052 34817 39134 34604 19047 19658 20504 16870 19573 21551 11448 21083 C13 H20 O2 42225 43871 41286 44504 46478 47223 42564 44717 44179 41028 39896 43953 48081 52561 49717 48852 54751 53094 55603 55924 56753 55284 52499 54823 54813 896.3436@0.8409999 7844 8289 1 1 7595 7489 7087 1 1 9232 1 1 1 7275 1 7109 8229 41910 1 7501 1 1 1 40533 1 > limit Esi-0.8419998 :13 38534 41009 30940 29174 35663 34405 41012 29116 29557 40956 1 31356 32361 42816 30591 39530 40053 42747 36930 41383 30744 42425 28095 40972 23579 C8 H11 N5 O S 1 48393 1 32256 1 21423 25279 57304 75862 25630 1 42187 33700 47053 33241 34130 68563 48061 53189 45048 1 1 1 29356 1 C13 H2 N2 O15 S 27751 37318 34713 32883 29108 32949 34617 32612 30049 36323 1 30290 29488 31049 27940 29475 30048 40780 32658 31558 25710 25469 32619 39420 22504 C25 H2 O4 1 40255 30445 1 20182 40842 33428 43880 52722 18542 1 1 27657 43953 31694 30058 1 1 46937 15247 27707 26627 20227 1 31698 C9 H8 N3 S 26643 16887 17324 14499 16135 21057 18462 15405 12310 16713 1 16021 13108 17963 31530 26963 14425 17935 20007 14094 14493 14268 18813 24780 17002 C17 H4 N O15 S2 21478 42051 31260 23768 32266 37445 34641 36335 33407 39977 1 22784 27856 34265 26306 30650 30002 45824 35594 24093 27011 31464 30321 44164 19206 Esi-0.8719998 :4 28073 32542 27602 32278 21382 29977 29653 27535 16611 25026 1 24959 23308 27806 25818 25689 22834 14247 30775 30499 19021 22017 29960 17765 21294 Esi-0.85799986 :5 34087 37626 39594 40052 30308 36831 34509 45802 42157 33578 1 36110 37108 33327 39165 34283 29569 37535 37433 32472 39182 34245 45069 37990 47925 C7 H11 N5 O4 Esi-13.55025 27883 22607 55841 15127 32732 139994 55711 37431 28138 70429 1 111559 49889 35067 17988 73802 37504 79499 25785 36799 10757 49508 72184 78897 42457 C21 H22 N5 O19 S 51719 47426 53862 54782 29624 72397 55949 56084 48143 60680 47852 44244 51651 53207 56771 54162 61232 48589 57766 56758 42449 45088 60088 50851 45083 C11 H N O16 127171 31801 29654 40507 1 35404 24772 25067 37438 23762 1 49677 60736 22729 26941 30765 33841 13967 28007 12791 22399 11070 11678 20017 49430 C19 H26 N7 Esi-9.286 1 1 43937 39720 1 33843 1 22414 16229 1 1 7943 50363 19750 41773 17869 25226 32697 43685 24568 28830 10171 1 50496 1 Esi-0.869 :2 28235 37345 46109 46389 36497 37838 33834 50074 43077 33861 1 42539 40990 35178 39075 30848 29445 9648 37332 30579 39930 36002 45072 8398 41850 394.2776@13.503999 1 1 1 8265 1 40177 7866 1 30158 8448 1 1 1 1 1 7139 11296 1 8720 1 1 1 1 1 1 C8 H12 N4 O3 Esi-12.951002 20240 6038 31453 45581 27419 169637 192825 25069 210769 1 1 23396 51443 27531 17609 52823 96179 54759 23903 1 1 9724 25410 9015 17070 C45 H25 N16 O5 S4 40499 50362 36576 38753 34554 46877 49946 46324 24476 50800 1 31888 35745 46015 47678 40265 40162 1 70370 45587 30052 38619 48154 1 44245 C3 H6 N3 S Esi-1.243 127957 204254 236864 173467 133108 169221 160268 202432 127058 149080 1 135549 174281 161308 173977 172632 178022 99070 182185 162701 147219 163905 206004 120016 151397 322.2503@12.22 1 1 14927 38422 1 82305 1 19712 1 1 1 1 1 1 1 12074 16152 10012 7055 1 1 1 1 1 1 Esi-0.8799999 :5 38213 48267 51675 51972 46680 44114 48639 47077 37864 44200 1 49831 42228 45106 40659 41417 45451 33427 39890 50428 38125 43551 37817 26575 34018 1267.7178@0.84099984 19884 19636 1 20453 22925 19349 20372 1 1 22313 1 1 1 17570 1 21070 24862 47194 20498 21054 1 24319 1 49966 13156 C12 H2 N4 O9 S5 24583 24948 21437 28112 17798 21418 23870 20984 14391 21260 1 20294 16200 22449 20641 19703 21228 38003 20994 31275 16919 22148 21993 45827 14540 C17 H24 N14 O9 62138 1 32845 36272 1 46122 1 41094 21825 1 1 18249 41360 14107 17460 23984 29671 14728 32006 17255 1 18544 1 26629 1 Esi-0.78400016 18228 15703 17239 15572 18288 15353 16830 17317 14994 18318 1 29936 16553 20644 17546 19533 18193 1 32131 20180 23228 21668 23390 1 30648 C20 H4 N O9 S 24127 39586 40584 39513 28108 38748 39498 48457 32003 44660 1 24566 28437 38218 37807 27289 28379 1 38965 33567 20477 23456 47104 1 22365 C35 H14 N7 O28 Esi-13.707207 52979 1 79964 95714 120353 15435 24935 6922 57734 12691 33484 76692 50893 69396 37140 105632 16587 29697 75160 61191 77833 76559 71339 59711 52509 571.0817@13.255998 32478 1 1 33118 35912 28261 1 1 42910 37834 1 21622 37746 1 26089 28148 22900 1 14677 35661 1 43283 17746 1 34284 C19 H26 N7 Esi-9.289999 1 1 44164 31734 1 33341 1 67534 31124 1 1 7945 48909 35677 42012 30917 37761 29953 43405 11233 1 18765 1 65996 1 422.2294@9.602001 1 22090 1 20682 1 29390 16339 1 43646 30279 1 37622 75089 27793 19237 17874 64347 1 17378 22016 54252 19683 1 29504 15579 C4 H6 O2 22582 27990 23262 25898 32405 22559 38499 25494 24228 26901 1 26551 21279 30577 29666 63016 14647 29676 24994 25123 41216 26097 27592 28475 25307 C5 H2 O8 S 1 27514 50495 17610 15213 16104 47203 26821 27692 27449 1 19072 26298 33823 31618 21870 38028 22992 34512 12246 16684 28282 46012 24750 45087 C35 H4 N3 O19 16898 18006 15289 16191 22944 17162 16183 15485 17106 16307 1 39392 18424 11814 14568 17173 20327 1 30846 19731 21221 21361 18195 1 31089 571.0813@11.319 1 9054 34696 1 40515 27282 100729 1 1 122165 56506 82854 1 63369 91939 1 1 50489 1 85751 108478 1 72887 1 57486 760.3719@0.8409999 8529 9401 1 1 7934 7959 9141 1 1 9135 1 1 1 8483 1 8278 8558 43480 6934 9172 1 1 1 42607 1 C18 H30 O3 Esi-11.369002 :2 67312 22810 136875 139429 25884 103703 31523 55326 86395 45088 1 50586 278208 42558 48969 50050 136642 96583 227675 70945 35060 39308 15109 167262 17644 C9 H12 N4 O2 Esi-13.9819975 1 1 8549 19860 1 20557 26446 17335 30559 12927 1 14694 13763 11409 14711 13668 16052 20025 12893 1 8948 14769 18848 1 7951 C56 H99 N7 O2 17787 18614 37881 37230 30544 26795 24885 37418 39327 23946 1 39548 34932 26112 34069 20818 17997 1 29539 21588 34711 29385 35960 1 50868 C14 H2 O13 S2 35893 49876 38960 39309 27923 47541 38039 43838 47249 43531 1 28342 43248 41323 46817 44834 30749 1 47099 35467 37399 30958 41255 1 40894 C8 H5 N2 O2 32741 44878 43231 44559 31958 46864 38667 48521 20924 42673 1 35809 36009 40199 50983 32230 40561 27583 47857 36204 23659 33019 43731 35869 37085 280.0596@0.9350001 47264 1 13762 1 1 34174 1 19884 20675 1 1 1 13923 12288 1 29044 12947 1 15879 12241 16136 13943 1 1 11152 C15 H44 N17 S 1 1 1 26759 1 67985 17729 21744 35103 21169 1 16658 9712 1 19020 24977 45012 16769 19198 14464 12646 18983 19537 1 14187 538.422@13.160003 1 1 7579 28461 1 53645 16638 8780 53998 24973 1 1 1 1 12767 16632 58167 1 9630 14086 1 1 1 1 1 104.0473@1.2760003 13481 12036 1 23744 10525 8266 1 13733 7954 12843 1 1 6457 1 10732 1 1 1 15734 41382 18918 26426 9525 54749 36479 Esi-0.85799986 :6 20012 26177 21092 18718 20388 21428 25120 19872 16837 27682 1 16198 18876 25951 20144 23399 25443 44711 23086 23898 17038 18328 16293 45533 11974 Esi-0.8409998 :1 38810 40261 52854 57360 52822 60728 37584 51957 41520 39835 1 53234 49085 50947 48870 36013 44855 157111 48811 43179 44182 64801 47313 165708 48340 C5 H6 S 13945 10189 9402 13416 8826 56509 9082 7815 1 8533 1 8145 8945 12239 9904 7588 6725 1 11695 9977 1 7647 9394 9566 7363 806.6287@13.981001 1 1 1 1 1 42277 1 1 17483 1 1 1 1 1 1 7262 15486 43056 9809 1 1 10254 1 1 1 362.2449@9.8220005:1 147037 1 62608 45799 1 96516 1 77706 1 1 1 32338 129368 1 29646 50689 37369 1 68922 44441 34208 32819 1 75099 1 Adenosine 27810 40360 33750 36345 42114 39023 39186 34715 41768 40032 1 34491 41969 43458 40967 39793 42633 51608 41063 46725 47067 54576 50797 39666 48782 Esi-0.86199975 :3 33845 42163 44702 41155 40263 42627 41257 46403 39420 41920 1 42036 42269 38494 41031 37261 37160 18778 42822 38589 36128 39154 43183 19316 40009 156.0882@12.945 1 1 9661 1 1 20726 1 1 10077 1 1 1 1 1 1 1 19761 1 1 1 1 1 1 1 1 981.0203@2.4651248 1 1 1 1 1 26949 1 50683 11628 32766 36940 1 1 38509 1 1 1 1 1 1 1 22052 1 49415 1 C40 H19 N4 O19 42380 41549 41385 34444 44539 17209 30278 33265 30715 36228 37462 38967 35759 37849 43056 43850 30436 46152 50931 47384 45762 46457 55426 52303 42636 Esi-1.0079999 26481 11978 20011 24377 21703 14423 22875 16750 14293 16477 1 47941 20367 13078 13679 16779 33709 8737 16714 29140 18018 20033 16479 38699 21800 1334.7148@0.8400001 15280 21141 1 1 21513 19368 21279 1 1 19855 1 1 1 18622 1 18841 20261 42620 1 18927 1 1 1 41918 7884 386.2296@6.946999 104317 1 73447 113102 1 353575 1 160675 1 1 1 127630 24431 125437 96424 19810 44072 1 182225 96452 37579 130957 1 127390 1 > limit Esi-0.8460001 20758 23115 31347 31757 25051 34533 26654 36626 37583 25723 1 36429 34983 30213 32732 28726 23792 1 32298 26714 34397 31276 32536 8096 34747 1059.5588@5.065 6821 17907 13840 1 1 45390 1 9390 18823 1 1 14285 12106 29921 12528 17162 25041 1 24336 13585 14627 38866 1 1 1 352.2245@10.091001 40657 1 24511 1 1 47849 1 20746 1 1 1 15324 37349 1 1 23658 1 1 40065 21501 1 24386 1 27045 1 191.9912@3.8940008 51898 31187 18811 1 1 11108 20312 8535 21865 8665 1 1 15216 10195 1 1 1 1 9339 14968 1 19497 13760 1 10062 C29 H28 O27 116789 72891 115490 73117 93868 27002 91994 100117 88318 135801 89775 132682 130936 96902 81256 128331 86300 185792 110691 101463 99865 93710 154765 132566 83835 C7 H10 O6 16828 33646 24262 8207 17587 27781 38255 16033 16665 13218 1 16201 23761 36285 19569 38577 9364 9337 27415 48692 25253 26895 31994 11038 23938 113.9929@12.947999:3 1 1 22531 1 1 129206 61780 232256 109085 1 1 1 244445 1 203020 1 137418 1 1 1 1 1 1 1 1 C16 H4 N2 O9 S2 22226 41033 29357 26832 25288 33667 31047 29678 32500 29963 1 23505 26486 32592 32410 21403 28822 6226 34159 25022 21832 27349 26667 6724 21841 C19 H28 N7 O Esi-7.473 1 1 1 60020 1 66502 1 92574 21343 1 1 35856 30488 12938 33132 45806 120491 63094 19858 29099 1 28833 1 29133 1 979.9841@6.617 1 75447 1 1 1 535986 35418 1 12976 1 21788 14238 1 147805 1 1 1 1 1 332889 1 1 1 1 28429 C9 H2 N4 O3 S5 30134 24116 19502 32788 18144 19923 19704 18271 7309 19934 1 18727 17151 18198 24803 14525 19125 26580 26255 31648 9269 18159 21059 39638 14226 C29 H35 N21 O10 23844 15722 30598 18082 22280 48394 26893 30863 51327 26558 1 19758 24838 17616 17875 22524 51704 43975 28849 47658 14237 39425 35562 30240 30812 C16 H3 N O12 25277 34924 33256 28083 36547 33952 31008 35849 33055 30539 1 41868 35852 27542 29359 30976 29315 24511 44851 28411 31803 31997 33899 23542 42142 C3 H2 N2 O5 S2 Esi-0.88800025 1963597 1232350 1267049 1874012 1270238 1161604 1347088 1071394 429879 1211809 1 1441837 1010993 1483938 1541047 941117 1586522 2496046 1450150 2457415 759671 1422569 1344720 3169463 1191696 Esi-0.904 47455 16456 28295 12495 1 55018 16398 34991 26578 18165 1 16425 31176 20452 15078 20893 24810 1 27713 1 18491 19281 18368 1 15038 C30 H44 N S Esi-12.947999 9307 1 16990 15964 9414 17113 26110 20313 53911 28325 1 1 15862 1 21470 14217 40264 12547 16591 1 1 9174 7188 1 1 Esi-0.8500002 :2 50547 46135 53612 53454 41171 47052 48081 50511 45973 44819 1 48171 48277 41715 49350 46503 37080 13535 48443 49032 45127 40542 46869 14706 48755 > limit Esi-0.8409998 :3 36785 39871 29296 26906 37255 35147 39810 28000 25699 38269 1 26830 25587 37105 29121 39396 39975 40927 32391 38926 28258 33421 21730 37322 17997 C4 H Cl3 N2 S 50110 22734 19045 24313 21821 21671 25687 22068 16807 21452 1 20318 24937 17697 20722 23294 27912 1 18711 26304 17665 19002 14121 1 16716 108.0576@5.286 47859 1 11616 1 1 33557 20819 1 1 11438 1 9490 12181 18108 1 1 1 1 12649 41704 1 10943 17219 19259 13340 C32 H45 N6 O9 20764 30075 44647 1 17622 54731 14887 18377 28161 20445 1 16545 26458 11559 15885 29018 35965 38872 34456 34960 20486 28397 21649 26711 18990 C20 H32 O4 Esi-10.218999 87631 1 32290 52158 1 247219 1 58121 54216 1 1 22211 38665 18232 24088 37922 87244 84658 44630 1 45323 19440 1 30199 10691 C11 H15 N O3 18069 23449 8141 27870 17485 25301 1 1 9137 12993 1 9728 8277 16234 23086 44902 9575 12713 14824 9757 8309 1 11571 12181 10811 C22 H24 N9 O17 Esi-13.628999 13842 7738 10352 23986 12713 25040 14699 21546 32050 27999 1 22828 13135 6123 23788 30841 29578 19388 18804 16846 19602 30044 36224 9586 20994 334.9447@13.983997 1 1 1 10506 35122 27884 8052 11101 21651 1 15276 10782 15502 1 1 22654 8632 1 13911 23667 32995 1 8151 1 1 C19 H28 N7 O Esi-8.2839985 162164 22342 104395 68434 1 201900 1 147559 74703 26142 1 63420 115042 152462 50729 108657 204345 72641 246121 58743 34846 30129 1 61055 23293 594.4859@13.735 1 1 1 50017 1 288284 54707 56533 169025 52769 1 1 1 1 8977 48019 225310 32662 41727 38928 1 1 47100 1 1 300.2663@13.095 1 1 1 1 1 37960 1 1 16759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H20 N16 O10 37492 33992 28555 24240 26216 25069 44802 17292 29291 24436 1 28493 26368 27717 25944 27616 23275 31209 44571 46647 35667 43084 37643 34293 34947 C11 H12 N3 O2 S 10132 26604 21283 18682 33771 20457 27495 13237 14916 25117 1 11511 14327 31960 30811 48125 6827 36960 16118 21933 42655 28852 29255 35745 18608 Esi-0.86499983 :5 21783 30933 28162 27593 22779 25546 27507 26463 19903 24608 1 21565 23053 25617 24256 24473 24095 41459 25817 22425 19766 22211 23131 44187 21695 C14 H22 O2 35741 35542 38445 38140 36859 36784 35025 39221 39637 37272 30068 34979 39650 45252 39676 36332 39068 42962 50855 37245 41141 44476 44845 46779 45570 C12 H15 N5 O2 Esi-13.9819975 9122 8729 11646 16934 10360 33803 28219 20499 35573 69096 13976 8545 12612 11139 14763 20167 21123 13573 12569 1 9755 12977 10458 11622 8997 310.2138@9.361 15108 1 1 49424 1 28370 1 15320 16301 1 1 20185 17905 1 12265 11678 14619 1 22314 14041 1 22109 1 16769 1 C37 H13 N7 O5 14827 22952 16108 11134 22451 27799 23840 27937 40322 26528 1 13235 26301 30597 24211 28398 21278 1 40314 14903 31903 30316 27895 1 48754 Esi-0.8560002 :5 26675 28232 36501 34905 27906 29733 28478 37789 37234 27799 1 34267 34674 28812 34278 29585 22681 21553 31116 27605 31586 29772 40720 22959 40192 C8 H2 O4 S3 20228 24454 34177 47669 26182 28885 25032 33776 32765 23725 1 35520 31980 26122 35154 29752 33600 41167 29238 41518 32866 26525 38610 38101 40474 C29 H16 N15 O17 33710 34129 31190 39676 36371 45573 33869 38705 43667 30847 30686 31824 32501 37516 26051 36647 46637 41373 42775 40090 48407 36761 39156 31434 35306 979.9845@2.48 1 1 1 1 1 17208 1 46645 7884 1 18423 1 1 1 1 1 1 1 1 1 1 14002 1 1 1 C28 H62 N6 O26 S 7325 11454 9581 9512 9059 10205 10944 9566 7034 11395 1 8811 9386 9147 7124 10424 13139 38852 8946 10865 1 9473 7784 44371 1 534.2986@13.195 1 1 1 30779 1 45503 7796 6866 23916 1 1 1 1 1 1 1 15332 1 1 1 1 1 1 1 1 C36 H75 N3 O 16003 20737 16259 17060 16552 15442 17326 14670 9929 15664 1 14722 14291 17336 14255 16093 19414 50189 12750 20354 13623 14321 11229 47232 7982 369.9685@0.8450002 10499 9324 7181 9612 7949 44211 8092 6637 1 7511 1 1 1 7547 7553 6607 1 7897 8207 10568 1 1 6817 11812 1 372.2499@7.181 1 1 1 1 1 29975 1 16986 1 1 1 1 1 1 1 1 1 1 14549 1 1 1 1 1 1 C48 H93 N21 O2 32257 28687 43470 43183 43165 35118 38255 43419 46512 34647 1 46374 42203 39531 41967 37737 31808 11316 39285 34799 45769 42248 47638 13460 47903 C3 H4 Cl2 O4 34557 43386 48610 35474 40134 45141 38297 41913 41496 40901 1 39805 38889 41736 38372 36641 35789 44889 40418 32234 32902 36085 35932 41726 29842 394.2354@8.818 26863 1 14459 1 1 59905 1 16978 54073 1 1 1 52647 21918 1 13915 34524 1 19142 1 1 1 1 1 1 C8 H14 N2 O6 29209 30954 27186 26565 28982 48501 28365 33635 46964 40177 1 22820 33310 38145 20798 33504 36320 8655 47236 33329 33024 41246 29666 12317 32014 N-Acetyl-b-neuraminic acid 32723 10383 35139 23458 1 33609 9481 31690 32161 18468 1 23293 26299 29921 24023 43415 8240 28635 24490 21368 17641 29596 19385 26239 32120 C29 H44 N2 O11 21633 7613 19672 1 1 47009 17306 27388 29225 10200 1 8441 21692 16129 15792 15774 23115 12663 22283 11870 11251 12540 18948 12402 9684 Esi-0.78700006 :1 59077 65548 64492 66126 56613 65038 64041 67983 67841 68033 177790 54073 69246 47118 72981 64951 27912 50758 61105 66776 68400 70057 71600 47323 57159 > limit Esi-0.8460001 :1 18293 18834 37176 35963 30050 31550 22451 37404 36972 19736 1 35403 35587 21978 35883 28607 21236 1 28898 24851 37157 30036 39061 1 48754 Esi-0.852 45545 51704 59906 58594 51486 49236 54625 57564 47790 44332 1 61820 53709 46340 51300 54423 49342 23703 50971 53047 50209 55464 49786 20254 46944 C14 H2 N4 O6 S2 Esi-12.947002 65255 1 315948 21321 60701 23257 14935 77019 30970 14288 1 110313 35692 79914 35784 30972 36581 29543 276057 29603 75449 19879 54912 123375 1 Esi-0.8489998 :2 18330 23838 35164 36679 29660 26698 28665 36931 42872 27377 1 35027 36423 25167 28076 24897 21964 15773 32109 24937 33722 26704 36442 13928 47110 450.3678@13.395 1 1 1 1 1 139237 1 1 118427 1 1 1 1 1 17059 1 21586 1 1 1 1 1 1 1 1 C4 H6 O3 Esi-1.2789998 32930 45282 48905 44366 52850 51086 55485 52309 47855 27013 1 47423 52274 57390 44485 60561 41857 43444 41847 49782 44067 31672 31692 43391 54242 C45 H95 N22 O2 35506 38936 38415 42488 41165 42113 35233 47902 43770 41506 1 46309 45923 41506 44824 42857 37861 15496 39069 40386 44894 40498 45061 13007 40886 C22 H21 N O17 Esi-11.332 52651 56698 49004 67977 40330 48538 67350 68937 66747 77213 55412 39882 68832 121810 70799 42889 102239 50722 57192 84205 88766 96553 112422 72463 62992 C13 H3 N O15 S2 10894 21824 27759 19607 23831 23381 19901 32710 28990 22833 1 30341 28961 20818 26446 18726 16805 1 37802 14128 26938 23887 34233 1 42825 Esi-0.89599997 :2 39700 47132 44275 49840 31424 37584 43496 40742 21967 41917 1 35459 30796 33227 38562 29918 34253 46321 43167 43120 23798 32509 38106 56426 27197 C15 H5 N4 O15 36019 34420 32087 29403 35748 35442 32632 34935 33412 34412 1 42201 32827 32644 32225 31472 36891 1 43264 32680 36518 32145 34767 1 39397 C32 H69 N9 38336 45684 47052 50241 41209 41810 46112 44815 33114 41413 1 46574 38458 42714 39676 42599 42108 31464 38504 48375 36272 38681 34538 29307 29819 94.053@12.949998 71417 1 10960 24362 16110 43341 92790 19512 75855 72063 1 8917 1 1 10683 14008 157915 1 21149 1 37467 1 13905 1 1 C33 H15 N11 O26 Esi-3.042 31972 42958 49585 55329 45521 41419 47565 43667 50494 39989 1 48509 42902 58428 53556 36427 40375 20422 23549 38416 42495 49509 24923 63803 22505 C33 H7 N7 O12 19014 24853 29467 27399 17778 26789 27536 27583 28471 14238 1 30253 23630 24642 30511 33714 34325 1 37030 30791 35625 29716 17776 1 48432 392.2589@13.385999 1 1 1 1 1 26511 1 1 28735 1 1 1 1 1 1 1 14468 1 1 1 1 1 1 1 1 Esi-0.7910001 25602 24484 26390 28229 15200 37699 22421 36125 38955 26424 1 19751 32973 32628 32219 41230 20185 79877 37190 26666 30227 22187 31816 78803 35163 214.0225@13.976 1 1 1 7939 1 29483 1 7763 19788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9752@3.149 1 1 1 1 1 30559 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 55955 1 385.9418@13.627001 1 1 1 8603 1 30263 4502 1 20371 1 1 1 1 1 1 10467 1 1 1 1 1 1 1 1 1 Esi-0.869 :3 26666 33119 44866 39660 30946 35114 35118 47314 40481 33525 1 40861 38923 32246 40567 33368 27491 8985 34471 30255 36825 32917 45102 7750 39922 C36 H18 N12 O13 S 32138 41156 55630 65555 82225 61663 42796 91042 34314 16168 151697 42059 35216 36276 89319 91368 43784 117965 31041 42605 50091 108167 113817 56347 111293 > limit Esi-0.8419998 :14 35521 43012 38830 40736 43400 37737 47202 36265 40839 42640 1 38781 37804 39350 41014 45291 44436 31660 39672 39853 35002 38603 33517 30894 28282 C6 H14 O5 48572 14170 10248 12082 9703 16059 12094 10054 16853 7810 1 7299 9440 9806 1 47756 1 1 9567 26872 8472 9061 8918 1 15546 Esi-0.86499983 :6 33013 40211 43447 41511 34869 40812 35659 45034 39558 36161 1 42897 38820 36069 42660 34584 30341 13269 39136 36375 33305 36903 43123 13916 39273 C11 H20 O4 42121 37885 38993 44232 34816 49350 37496 39002 38049 32724 30753 34828 40154 43270 35673 40143 36222 39422 45132 40589 35130 37592 39774 37034 40535 C18 H12 O14 41217 37964 31294 43406 26055 31930 35864 31059 12336 33156 1 23375 23309 33786 33840 23648 24917 1 32842 37829 14124 23218 30833 1 18302 Esi-0.88800025 :5 28747 22857 22312 28189 17513 20681 23265 20960 8012 24012 1 18084 16002 24348 25188 18431 24346 24757 26468 34752 13027 21662 23795 42031 18801 Esi-0.8450001 37439 32512 41309 43944 37450 38422 39282 43222 44672 36640 1 46447 43380 37088 40566 37364 31229 1 38552 35987 44186 39288 42807 1 45494 Esi-0.8789999 :1 10797 14028 8682 9698 10499 9879 10613 7071 1 9826 1 8246 8922 11095 8181 10086 11000 44606 9721 12529 7009 9377 6101 42793 1 Esi-0.88299996 :9 26429 26209 22495 21864 20666 23902 23479 20821 15702 21889 1 20884 18726 21936 19367 23017 22930 48079 17427 24740 15704 19671 14548 46406 14235 C7 H9 N3 17227 68398 27195 39351 19708 72923 31820 26781 63984 25045 117311 23734 30001 14706 41055 33103 56067 23423 24205 14695 12392 19143 23744 14636 12295 C11 H11 N O3 21076 19468 22242 23605 10840 30694 26613 15441 26146 15186 1 8955 17052 43144 1 14038 8173 16843 14525 27522 19522 20016 26414 23424 29890 Esi-0.86499983 :7 16814 23568 26510 25522 21883 26472 22999 28357 23876 21837 1 20851 20206 21370 22216 18254 17835 9022 22887 19970 20414 19715 23043 9726 20119 Esi-0.86499983 :8 14740 14939 22159 20148 15085 18848 16214 25143 19244 15217 1 23810 19202 15642 19873 14686 12273 1 18507 14889 20608 17134 22950 1 24233 C26 H3 O2 S3 22712 33455 35318 32132 30579 34838 31510 41043 32755 28672 1 40096 33840 30730 31599 29856 25235 1 41663 27723 30005 34176 32278 1 40365 C12 H2 N O15 S2 16949 28698 34439 29878 20552 33583 25287 34715 38405 24774 1 28024 30787 29137 34689 26339 22084 7936 29954 22592 24405 21101 32567 9095 35829 Esi-0.84799975 :2 44188 46046 45063 41286 40711 42259 42301 43406 43357 40216 1 40337 41853 44691 41755 40542 38683 27005 41987 39187 37740 38181 43484 29188 39596 C20 H24 N2 O22 Esi-11.6900015 :1 134916 104472 144603 137559 96880 238108 117172 170137 218177 118519 89929 128846 174012 112903 124918 154058 207266 160425 147391 128495 122838 124847 136070 132004 116269 607.3474@9.608999 51620 1 25985 39184 1 84974 1 49948 29931 1 1 19052 32885 23644 1 25294 50547 43977 53168 1 1 13907 1 17518 1 C8 H5 Cl3 N6 O2 S5 25939 30335 31793 27449 25191 26393 31268 25571 22657 28875 1 22927 23887 26635 22628 25567 21655 40086 27139 26924 19029 22077 23507 42363 18676 C21 H28 N5 O21 11953 12988 16725 25431 17384 59491 28815 19368 27319 29938 16467 13003 16788 9545 18195 18265 15076 20108 17454 14677 15989 18861 19201 16428 18387 C30 H16 N6 O13 19540 27235 34159 22506 20313 37386 22874 45784 37150 29408 1 18222 31557 31341 37883 23817 19969 1 34865 20835 24844 22289 46276 1 34790 332.137@6.66 1 1 1 42265 1 15394 1 1 20416 1 1 1 1 7426 1 1 12302 1 1 1 1 1 1 1 1 Esi-0.87700003 11757 20929 16821 13989 9160 18630 16751 23269 14390 26381 1 7564 14753 18667 15673 13534 9017 1 20349 10606 7122 10801 21128 14172 10036 C10 H12 N4 14023 12853 15609 39931 13922 17248 15520 26309 1 28000 1 25909 19572 11963 24830 37288 38037 19645 18648 16974 19610 18725 21091 12191 17808 C15 H2 O17 Esi-12.947003 462752 1 441780 24124 43443 36688 37201 102009 95294 21306 1 425947 28535 46637 64996 44803 20743 41557 30029 1 42090 34936 33488 1 1 C3 H2 N3 O3 Esi-3.0410001 46190 42807 30972 33246 32369 44483 39650 34863 30085 30220 1 37649 41570 40451 39215 22912 32974 36448 35611 26657 31024 35053 29413 34635 32070 C9 H16 O4 Esi-6.2640014 9803 70511 139106 509104 39257 45991 48371 24888 32499 56444 30930 16098 16386 19662 9531 30496 27486 127917 25254 110055 9866 15961 111659 13055 88357 181.0857@12.949 1 1 11175 10631 1 43991 9354 9521 46666 8829 1 1 11373 1 15701 10615 41905 1 14232 1 1 1 1 1 1 C19 H28 N10 O15 64907 1 33575 36516 1 46626 1 42477 23616 1 1 20187 38433 13317 18014 25287 30185 15107 35490 18646 1 20477 1 26102 1 C33 H2 O21 S2 Esi-0.84600013 27929 34867 35660 32644 30169 35744 37481 34365 33665 32452 1 31144 32491 36235 34805 33484 31340 34936 31553 30507 31189 33936 31013 38147 28375 540.2566@8.156999 27022 22898 1 26445 1 24087 1 27519 44138 9669 1 1 19910 1 15701 1 39738 1 1 10155 1 1 1 1 1 453.9293@11.226998 1 1 1 37206 30952 107768 1 54786 97646 1 1 11990 24231 1 1 23018 37119 1 19501 11944 11576 1 1 1 1 Esi-0.8560002 :6 20030 23584 20173 21668 20320 20576 21657 23481 18774 22101 1 18274 20160 21133 20182 23123 22286 12428 18719 21512 18527 21146 19966 11063 14152 C18 H28 N3 O3 1 27308 19076 12671 1 69556 1 13400 33548 32181 1 11252 53502 46027 1 24275 17637 34355 49858 1 27551 12305 1 12127 25493 C10 H13 O3 Esi-13.362 21216 17973 30589 47440 16690 71173 46127 37407 73774 24171 11566 19063 34186 17348 34638 32258 54839 23587 32283 14943 14271 23386 24696 16200 16789 C7 H10 O3 S 16651 30874 21752 22728 25698 24046 18818 28815 1 28567 1 27461 17066 17844 36463 17515 25213 18537 31684 15242 1 13099 28715 24261 14075 C4 H8 O3 Esi-5.9800005 21175 15681 16810 13676 12010 13789 11694 20150 14727 12265 10429 11301 13122 14350 12450 10928 15359 13649 8114 10418 12900 10711 14066 20268 13238 C20 H32 O4 Esi-9.921001 :1 165942 40683 166779 179376 1 343808 9190 231095 146340 42145 1 118444 133934 203001 100725 235808 310417 267922 218445 72134 81057 134123 37670 167955 51970 C17 H26 O4 Esi-12.951003 :1 14589 1 31752 30898 10291 193498 36195 27698 110804 19002 1 9607 29758 1 12303 23439 96754 7375 33389 1 1 13141 10153 1 1 956.9761@3.771375 27261 1 16765 1 1 35525 1 1 1 1 8872 28383 13904 1 1 1 1 20653 1 1 1 1 43629 1 1 Esi-0.85899997 :4 23781 29233 30897 28748 28707 28096 28170 32199 30431 21021 1 32374 28029 25382 31028 27739 25942 14157 30354 24170 27186 26752 29950 13774 32375 C24 H18 N10 O11 Esi-13.627999 9479 17235 12227 22271 10581 20495 21108 20961 19021 14678 1 17725 11271 9964 18406 21843 23350 16485 16180 16840 25254 19503 21592 10368 16690 277.9624@3.9640005 27093 37427 17405 1 1 8248 20548 16880 16746 1 1 18648 1 1 1 17333 12307 14660 21001 7385 14474 19182 1 43236 9469 C9 H O11 12676 19686 21592 18777 1 18386 8039 16991 13346 18258 1 17911 13208 17369 18694 14841 13978 42986 14933 9175 8026 17571 14745 42960 12266 542.2715@6.2429986 1 32903 17124 1 17651 22468 1 12945 11007 17488 1 10166 9458 1 11806 9626 1 8119 15012 1 42693 22932 7913 13548 19320 Esi-0.89200014 :3 33179 34213 31353 40489 23604 29301 32396 29933 10834 31598 1 24975 20831 28136 31731 23820 27888 27466 33500 40062 14052 21732 27242 46371 20235 C5 H4 N4 O2 10692 14198 24006 8572 12351 8465 10856 14241 9983 8306 1 6328 23655 8530 13599 15323 7728 29825 42813 14274 13325 18434 14935 26623 28627 C4 H6 N O S2 28771 58756 71556 56665 40559 45053 49375 64730 49455 49461 1 49615 67092 34560 60974 64952 78061 45413 62286 54996 77538 75795 82490 50167 59470 Esi-0.9969998 :3 65543 34314 48055 81872 52691 27277 44669 28345 17552 28893 1 76012 37059 18947 26506 27362 55208 80205 26199 84981 34428 40986 26310 72312 39136 453.929@13.627001 1 1 1 4613 1 32425 1 1 22640 1 1 1 1 1 1 17121 7410 1 1 1 1 1 1 1 1 C10 H16 N O4 S 41999 13190 1 11556 9253 17686 11101 8377 9932 8592 1 7928 8414 11810 9529 1 1 9442 9581 16157 8753 1 6662 13055 13309 C11 H2 N4 21709 16307 31296 31032 1 34267 10739 26254 23913 15831 1 11673 22637 30555 21481 20187 14856 1 26362 12890 9038 20248 36134 1 16516 C8 H2 N2 S3 86947 81272 81514 81867 83264 80459 79906 82382 73858 80399 318954 85097 80506 42597 79456 80498 174095 87969 76240 88350 86929 88242 97803 84794 161541 C38 H58 N12 O2 29735 27284 28317 30566 32866 28197 29766 32553 30861 32281 29676 31015 33553 35051 30641 28858 34998 46809 42643 35045 42720 43072 40306 40188 38343 C15 H6 O20 9517 8893 1 7915 6504 39684 7348 1 1 7147 1 6591 6262 1 1 6434 6866 9108 6726 8527 1 1 1 16228 1 Esi-0.8929998 35410 42449 38602 45975 28354 32369 43134 37967 24306 39678 1 34265 30179 37461 43485 33215 31725 39798 45192 41919 23674 33916 41029 43008 33273 C4 H11 Cl2 N4 O3 23512 31175 25917 35142 27345 26397 26024 28299 14577 29975 1 30912 25536 25652 37670 17896 37489 38524 33976 27998 12806 21895 28858 45100 19239 C5 H9 O8 Esi-1.5470003 35169 19427 33436 8573 1 69429 1 28023 29879 1 1 17567 36445 27387 19618 30727 31619 17366 33382 27395 19300 25291 20331 15670 16562 > limit Esi-0.8439999 :1 31289 31053 41486 38579 39130 37335 34716 37296 39093 33828 1 39832 37345 36978 40160 36873 32408 10655 37417 35307 39761 38682 43820 12257 42355 C18 H4 O16 1 31771 19675 1 15475 33515 23149 32183 35083 42873 1 1 16817 32129 19329 18461 11300 1 29855 1 13200 16276 33979 1 11112 Esi-0.8729999 27437 31163 28004 33657 27903 27987 26577 27886 19454 27132 1 24206 25399 25289 29023 22522 23686 17918 27740 28723 17013 23879 27058 22904 20488 C3 H2 N3 O3 Esi-1.2619996 44787 50235 29351 26745 36903 32137 29343 55371 64340 30983 47785 58920 24205 33293 27971 42240 38490 29574 26786 30294 48701 35390 25999 28956 46353 Esi-0.8729999 :1 23255 31216 41098 34689 30917 35099 31835 42823 36386 31823 1 45037 38768 31221 34764 28563 27057 12379 30588 28947 34635 33105 39205 16626 35957 Esi-0.86199975 :4 24005 29671 24333 28107 24734 29130 27270 30320 26314 28002 1 24794 25798 25936 22899 23719 20907 39971 26201 26419 22891 23393 32860 42426 26694 C30 H44 N S Esi-13.358999 26071 33060 54142 121449 25873 143354 101012 87903 191228 75920 17221 37374 59930 33801 81898 68950 171771 72154 94119 29680 33823 55544 51787 28675 29506 340.2418@11.276 83332 1 18223 22969 1 52186 1 35567 13125 1 1 9202 27489 1 1 13244 14466 1 16749 1 1 1 1 10650 1 C18 H24 N9 O14 S 187842 114197 90321 182045 158380 172133 337769 150806 136872 116844 202012 79083 170795 126462 132397 146269 148178 152563 156286 158216 389739 154156 134506 146410 138446 C10 H21 O S4 19947 30316 29307 26334 34016 26370 37090 25066 29590 30627 1 23783 24553 35496 33929 45909 17470 44896 27145 26387 38636 37643 28542 38219 28657 C29 H44 N7 O25 S 6580 21853 13436 1 13373 31842 19410 29406 21926 31934 1 1 16974 39820 21561 23201 13423 1 40198 7934 14527 21428 28709 1 24858 C10 H18 N5 O8 39389 29485 23811 25309 21075 33656 18483 20114 14488 23571 1 17741 21655 23732 18453 25109 22440 24960 29690 33750 27191 21098 20430 39154 32576 Esi-0.86499983 :9 26022 37871 36240 36443 31691 30773 33455 37467 29664 33103 1 29947 32770 31238 32826 28957 29845 16634 34686 31460 27415 30064 31842 15341 30352 499.9155@0.82499987 17342 25631 1 1 17888 24017 20603 1 1 23518 1 1 1 21037 24533 1 22887 1 24611 16887 13930 1 1 1 1 202.0619@13.571001 1 53028 1 18628 253404 11436 16423 1 9312 14563 1 1 1 42733 1 1 1 1 1 1 134825 1 1 15573 1 C18 H6 N2 O12 33421 36032 33617 40557 23891 31011 36685 29527 13734 32147 1 24573 22213 29278 31745 19613 25447 1 28973 35385 14981 19590 26311 1 17654 C9 H27 N10 O2 S 1 1 1 20304 1 28106 23420 17332 27491 21373 1 15799 8391 1 15434 19426 31487 10460 14326 10386 8270 14112 17799 1 9540 C8 H2 N S2 Esi-0.7889998 4819012 6113285 5157116 5086004 4223643 5910016 5094179 5737243 5953015 5248356 90241 4200376 5546868 5393634 5539152 5686149 4415726 1600068 5695589 4881248 5035398 4382248 5284348 1622434 5282542 Esi-0.86700004 :8 25910 34137 37640 36738 31021 33551 33301 34482 30482 32709 1 32934 29442 29332 33169 27309 26776 14311 31283 26010 22938 27295 35678 13891 30119 103.9637@13.377999 1 1 18306 22545 1 30119 16714 1 33417 1 1 1 1 1 7768 1 27093 1 1 1 1 1 1 1 1 C13 H33 Cl3 N13 O3 S 9584 22563 35608 29274 15598 23725 18160 22634 15689 12680 1 15013 18029 22994 23506 49558 10523 11232 17678 1 36777 22094 32290 6137 19456 160.8762@13.361 1 43781 1 1 1 23618 1 1 14250 1 1 1 1 1 1 1 10579 1 1 1 1 1 1 1 1 Esi-0.8500002 :3 23900 24834 24653 22169 21313 22924 22959 21759 19960 23184 1 21578 20320 23743 22595 22902 20098 34664 22435 23594 19518 21852 19009 31816 18268 C19 H3 O15 39554 33392 36815 25775 31444 46146 27884 41302 34147 36102 1 38481 35879 30355 28725 27968 35388 1 42799 27364 27279 31496 34251 1 32265 C59 H105 30249 37141 35224 30412 31645 36461 37517 38383 38334 33456 1 32118 33739 33040 34822 36430 30842 22487 31181 31932 32999 29855 33094 22020 29912 C6 H8 Cl 32051 59438 69067 50741 37055 48857 52172 56035 35462 43033 1 37432 46496 44479 49720 40203 43850 22815 52561 34606 45320 48716 63228 35397 43306 C10 H14 O3 39840 38936 38017 40195 34784 40797 39162 36772 42051 32268 30249 35433 34864 45603 39490 40545 39572 40836 38937 37585 36733 40319 38251 34200 35120 198.0295@1.0620002 15225 1 26268 8110 1 24065 1 8212 1 1 1 1 1 1 1 1 1 1 1 41336 1 1 1 1 13110 C26 H2 O23 S2 34779 39370 35053 31672 30858 36341 34954 35402 34555 35076 1 32819 33452 34547 34911 34240 31806 27496 36294 31470 30724 30576 36505 26290 27250 Esi-0.88599986 :1 34309 31464 26594 33467 19996 27956 29470 26331 13572 29798 1 28699 23894 22520 29222 19749 19551 26909 27086 28731 17567 21866 24459 39673 21092 Esi-0.874 :2 13570 16283 17166 16889 15567 14551 16915 15471 11666 15178 1 14093 14517 15522 13449 19171 17072 37266 15929 18065 14382 14297 12001 35902 11082 C20 H6 Cl O23 S 22159 24020 23091 22606 25018 20749 22548 17629 20567 22645 1 17719 21286 19942 23660 23227 23997 14794 19792 24261 21631 20684 18323 12906 17773 Esi-0.8509999 :4 33440 33570 27977 29596 29597 28965 29894 30865 28324 30689 1 24961 28306 30069 30117 28822 28570 20023 28248 29839 25520 28152 29613 21366 25007 C5 H9 N7 O2 Esi-2.062 1 32053 37767 1 21379 25548 28539 25228 17385 19030 1 16262 23437 34216 16174 22162 24554 27970 40118 33309 37222 46781 50701 28245 50164 Esi-0.861 18164 27495 36049 31860 23648 30476 26836 35540 35467 28209 1 33641 30016 26843 30302 27084 21449 1 30102 23215 28690 28917 41182 1 34511 > limit Esi-0.8419998 :15 35700 37023 34397 31819 43896 37995 37350 35579 31216 38502 1 34409 36403 42925 37545 42369 38358 20351 39361 41246 37606 39147 30220 24480 27090 C52 H3 N2 O4 11622 19854 21730 11963 17646 29106 15753 30357 35602 19745 1 13650 23475 23732 19773 20336 16271 1 31787 12239 27968 23812 31379 1 38844 330.2401@8.825 1 1 42212 17062 1 19500 1 1 26493 1 1 67122 1 1 74911 1 1 1 1 1 1 1 27786 1 1 521.2267@1.1949999 1 11545 17383 1 6429 15029 11488 14690 1 1 1 1 13644 22301 7792 11957 9325 1 19219 9970 9558 23894 30325 1 34800 C13 H6 N O11 S 14460 22665 25759 22131 21630 24252 19420 28833 27096 20697 1 27397 26963 19702 24364 18718 17652 1 29534 17454 27476 23956 32740 1 39405 C25 H16 N15 O14 S 33399 32122 37161 34499 31184 46177 41451 38718 43119 39290 24188 17146 34421 38184 33829 38156 48563 40793 39637 43772 44394 45157 37698 36514 40250 C7 H3 O4 S 20334 1 25021 1 14903 27371 19646 14111 22323 12228 1 38437 24348 11382 39976 9658 21103 28697 10922 24138 1 25531 20481 31569 1 C10 H9 N2 O3 33646 19799 29855 17979 17648 26959 26524 15404 36017 16812 1 12415 35508 20072 24786 45748 41716 12004 26567 15141 19222 24024 26258 14893 15942 C9 H16 O4 Esi-13.980999 15646 15593 13935 18682 13674 36341 22028 27897 37120 25069 10509 16048 20084 11756 17776 27210 23989 27901 17647 16564 19485 14828 17561 17991 13271 Esi-0.8500002 :4 17325 18963 20090 19917 21431 19434 19281 23423 19811 19128 1 19036 19738 19714 22371 20527 17082 15486 20930 19558 22155 21985 20984 17541 22385 C6 H2 N2 28433 26809 41016 39109 15935 32919 19315 31196 29021 26516 1 25300 28597 29899 27300 31411 21915 12120 24143 21852 16202 26815 40839 1 22593 C15 H22 O6 Esi-6.047999 39070 22572 34066 22804 27190 28303 23837 28667 40855 30486 1 26266 22812 25359 28677 27863 38312 33164 28294 36631 44027 27174 35926 26282 23791 605.3313@9.339 28512 1 43096 27136 1 40908 1 42889 15268 1 1 13720 23005 19786 1 23038 54427 35724 41549 1 1 12732 1 22872 1 C3 H4 O3 Esi-1.2299997 18812 50261 46803 40177 33655 26408 38636 38184 30329 27757 1 27580 43039 25966 48697 48710 70605 19686 35016 25463 43126 41268 47260 20151 27413 Esi-0.8710001 :1 30003 32030 29737 33209 25237 26514 30875 27553 19236 28769 1 24295 23281 29210 27266 25795 26254 40169 29243 32165 17824 21436 26401 45492 22099 C18 H8 O4 23247 38489 33452 33693 32677 26733 34255 34353 20036 35536 1 27687 27179 32448 43377 36073 26223 41798 31724 33010 29529 30308 33371 41816 25546 Malate Esi-1.0989997 33409 32209 38454 40104 27515 39498 27877 38134 33061 26906 1 23398 27465 1 46148 37411 41185 1 38283 27859 24689 28599 31109 1 27594 C9 H6 N O5 29776 44703 40229 43510 35944 38453 41180 43610 21666 45295 1 38605 35419 39911 47593 30938 36050 36327 48130 41026 21297 35056 46657 44406 34787 Esi-0.8600001 :1 29001 34460 39123 37297 30651 36407 35036 37899 31975 33693 1 36707 34291 33615 38187 34763 32606 17837 35101 34988 33013 32577 36866 16866 34431 C23 H13 N14 O14 23816 35294 25309 32204 43626 10975 23503 20567 13029 24748 45958 19903 29430 43739 18066 17662 25674 36865 25507 34260 48182 23829 34582 44268 49003 C29 H18 N16 O10 116605 100992 119472 114548 36245 84840 106561 108741 128896 32614 29130 71349 54280 130402 121143 118238 166187 138597 127125 11583 27770 129580 116901 48020 126016 C6 H Cl3 O2 S2 30292 21668 21602 21653 19165 23090 23480 24034 16712 21153 1 16974 19888 15414 20918 20107 22292 1 21874 22980 15404 17277 17179 5424 15326 Esi-0.8439999 :2 22402 24954 25836 25902 22151 26044 22036 31517 27818 24768 1 24495 24786 22897 27073 24542 19654 13855 24885 21250 29657 23855 33533 12867 29303 C8 H N3 O6 S 1 103134 14024 29974 38297 29398 25727 56776 34464 27501 33310 90347 29208 19029 50235 58072 36302 22812 37584 1 1 33648 36725 1 21441 C20 H2 N O11 Esi-0.92399985 37497 74618 70239 64164 47264 73180 68701 85592 65969 81432 1 34749 50705 72147 67605 46968 47602 1 68639 54967 36027 45367 85056 1 38533 160.1102@7.444 40919 1 8411 1 1 13746 1 7637 1 1 1 1 1 1 1 7600 1 1 1 36541 1 8116 8226 1 1 437.9554@0.842 8649 7790 6737 11943 7847 39856 8665 8198 1 7658 1 1 1 1 1 1 1 7501 8654 7821 1 1 1 12189 1 C4 H5 Cl N O 35816 26673 29975 30392 25308 27643 25505 25439 18805 24899 1 26550 26756 31162 27609 20918 24580 22154 28931 31538 18171 24298 25850 26377 25287 C21 H4 N2 O22 S2 31857 40406 31540 30881 35565 31844 31942 26412 29382 36044 1 28165 29504 32562 27841 33527 34334 31526 31248 33007 26114 30230 23686 31362 19950 166.0626@5.5019994 1 41102 1 18308 1 29701 7394 1 17014 1 1 1 1 22693 1 14201 1 21266 1 8267 13834 9230 10870 1 13213 C33 H12 N10 O27 48816 1 93103 83150 97579 66721 25605 43308 73499 20323 1 1 41325 87933 60779 103267 1 49165 77807 130621 71004 75493 63746 87900 1 262.0812@8.132 1 1 8372 1 7177 37295 20445 1 19838 1 1 1 11163 8108 1 1 1 1 1 1 1 1 8044 1 1 C20 H34 O3 Esi-11.709 :2 500198 19706 316074 129278 1 545152 1 262050 65568 1 1 47777 176699 53224 59842 200616 199245 66255 135857 59390 79119 85548 31218 122627 50231 C20 H24 N2 O22 Esi-13.365998 13380 14329 24179 36914 16506 15641 27196 33365 26918 32606 9554 24913 30492 20648 35103 26977 41353 38562 28883 12305 23195 26956 25505 23738 28675 C17 H31 N3 O11 8408 13854 15908 7131 12382 17738 16127 14192 23046 13586 1 6918 14799 22140 7661 21376 8916 1 21442 10292 34824 25275 18366 1 18252 298.2505@11.794 17515 1 1 24307 1 65597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8419999 11610 13107 8818 9212 11025 10891 10589 6967 7228 13138 1 7964 6413 9718 9401 12559 13839 21705 9354 11431 6509 9977 7292 23329 1 C6 H4 N O10 1 32060 1 33152 27115 48907 39282 31295 26323 14210 24926 43318 39531 32080 1 24694 31301 1 31290 1 32702 1 33665 23911 24484 C10 H16 O3 20844 26702 32015 43012 1 55753 1 41690 35158 39473 1 36104 1 19156 32459 22853 68138 50182 44475 47676 22967 41807 1 55230 24605 C30 H12 N13 O7 8395 19294 18944 1 12228 32775 17336 28664 43156 19860 1 1 20424 27096 20788 24530 13608 1 25821 1 23045 22031 27896 1 26720 C5 H2 N3 O3 S 29687 32291 34959 34606 30081 30984 31610 33694 32317 29835 1 28147 28395 30186 30899 28605 48099 28954 26919 38092 32616 32145 29342 29876 50571 C15 H8 O13 S 30106 33272 29643 20690 30906 29359 28808 29086 27241 27290 1 37143 28505 37595 24636 27447 22533 1 33578 19525 25396 23474 27492 1 31500 239.9389@13.386001 1 1 1 20342 1 22499 13966 1 27577 13551 1 1 15409 1 14111 8743 21134 1 1 1 1 1 1 1 1 C40 H3 O5 S5 13961 17609 13386 13948 15858 13540 11578 14033 12291 14784 1 13486 11755 14859 11680 15577 11830 22838 14166 14340 11052 13755 11754 20888 9652 591.3516@11.337998 13414 11907 9903 1 1 49190 21026 18033 13127 1 1 1 12548 1 15022 11158 12078 25998 12078 18267 1 13047 16557 13918 23014 C4 H2 Cl2 N O3 S2 12432 26859 39818 34304 25164 28809 27192 42498 34607 28916 1 35828 35566 20253 33069 26153 14254 5692 26055 22192 32031 24678 37285 1 39129 294.2185@11.091:1 1 10438 1 1 1 58049 1 1 1 1 1 1 1 1 18368 26388 12876 1 1 31933 1 12832 1 1 13291 Esi-0.8780002 23244 28520 40481 39348 30861 29679 27976 38134 32175 27988 1 43425 30931 28299 32725 27606 27367 9223 30271 28691 32988 29269 34362 1 37211 164.0319@0.99499995 42356 10192 1 14121 11305 22148 10844 12545 22279 1 1 1 9963 15847 1 14017 8872 1 15256 1 9157 1 1 1 12099 C12 H15 N5 O2 Esi-13.628 7537 1 10849 23433 1 23922 19188 20319 20688 22932 1 24099 11475 12360 20771 29138 27621 13079 17371 13916 14067 20305 15407 11271 12305 573.9303@0.842 7912 7909 1 7017 6222 37373 7737 1 1 9102 1 1 1 7523 1 1 6778 10050 1 7682 1 1 1 14245 1 C5 H11 Cl N S 22724 31545 34331 35041 25359 25511 30899 32026 11755 32817 1 22453 20742 25189 30593 18270 27445 22258 32624 23134 11223 15491 29294 29846 17681 > limit Esi-0.8409998 :4 25667 26822 17256 19185 22422 20900 21677 15713 17401 24091 1 18189 21147 20583 17390 25616 25117 32157 20204 22729 19724 16810 16364 32837 10370 C4 H6 N6 O3 Esi-3.356 21438 23418 28063 44051 23164 26824 25377 20542 24285 24729 1 26302 28273 38353 17818 21142 21575 60614 37225 33714 32671 29401 32871 29169 26642 C14 H4 O16 15205 39179 34189 29124 24594 33965 33935 33380 32015 27776 1 19915 26085 30704 29506 30684 28623 1 35529 25847 28894 26602 25821 1 32018 C21 H24 N7 O2 133957 36522 22892 15205 23169 14572 27073 23082 35378 28638 1 17067 15620 21807 23174 10723 9486 42582 20492 30642 27681 37348 32278 15962 21066 C3 H9 O2 S2 45847 30462 33671 33762 29857 32954 34390 32283 26307 33095 1 27588 32573 34989 27651 23182 31693 24793 30947 37403 25231 33197 31931 24419 27350 979.9829@5.712 32652 1 1 1 1 92452 1 1 1 32085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H14 O21 29189 27940 26467 24765 25318 26005 24716 27622 28831 26028 24135 27449 28178 29651 25057 31393 27688 32098 31397 28709 30156 30073 34497 28796 30546 979.9843@17.746998 1 1 1 140278 1 55728 1 162875 1 1 39763 34447 1 1 328124 154012 1 619320 274332 198807 1 1 1 1 29615 Esi-0.9969998 :4 61291 30939 41719 75737 45494 25034 40545 26890 14087 26306 1 54722 31901 15622 27529 24577 52136 77722 23326 84835 30372 34104 26581 67599 27270 365.2175@12.949 1 1 8104 7798 1 16485 10378 6226 20107 6505 1 1 6211 1 7249 1 36779 6527 8627 1 1 1 6677 1 1 > limit Esi-0.84199995 17041 19030 17524 15205 17629 19831 17811 19379 17744 17777 1 17255 17583 18901 20395 18054 17823 1 16114 19879 21706 19520 17097 1 17081 388.2232@11.386001 33453 1 25053 1 1 20731 1 9837 1 1 1 1 25529 1 1 8993 7674 1 10765 1 1 1 1 7829 1 C16 H12 N O3 S 27102 26001 22221 17447 22082 20777 23925 23525 28069 22770 1 29263 28188 37737 28810 30977 37292 30886 28648 29429 23088 25339 26650 26052 36714 116.0472@3.2690003 53137 1 1 36984 1 34107 1 1 1 1 1 1 1 30611 1 1 1 1 1 35295 1 1 1 1 28426 C22 H2 O14 S Esi-13.356001 17425 11079 22778 46124 9244 73577 34947 33312 83672 19295 1 1 23533 13152 23972 1 46568 12575 20029 11202 18657 18288 25891 1 1 Esi-0.8789999 :2 10320 13206 10796 11005 11042 10681 12322 11194 7595 11737 1 9321 9629 11555 8876 10668 11091 35332 9988 13435 8329 11057 8681 32831 7205 C23 H8 O3 16843 29921 30060 24788 21532 33617 24732 42125 43693 32984 1 17062 28429 34852 32717 24499 26651 8751 37588 22207 25917 25991 41387 12685 35951 C6 H13 Cl N O7 6794 32314 26114 30506 22878 24309 19847 34147 9852 33858 1 29381 21004 23683 43426 13503 33416 19625 34292 14531 20186 20693 29314 27610 14981 C10 H2 N O7 S 16936 17833 22242 21733 21229 20779 16183 27017 31645 20629 1 24300 23571 20903 23257 18182 14522 1 22047 14859 23843 20844 28558 9959 26868 C53 H109 N2 O11 29896 31784 28273 29189 27685 27091 28488 27493 24948 28809 1 25032 27484 28318 25319 29614 25599 19146 29715 30096 23691 25259 24517 16363 17474 712.0321@0.94999987 20244 28748 15893 41751 1 14782 23386 21115 1 18884 1 1 1 19443 23617 1 9575 1 16428 31408 1 1 18499 1 1 C43 H4 Cl3 N3 O7 S2 29033 28817 23146 19611 29954 25612 30676 20414 20835 33829 1 21076 1 28693 21340 29227 30524 41728 25074 30008 21413 26212 14588 37798 1 Esi-0.86499983 :10 28628 34675 36793 33997 29989 33712 34328 38340 34219 32801 1 33522 33449 31855 34297 29056 27030 16159 35222 30409 30825 31097 34827 13820 31108 C10 H6 N2 O11 S2 26178 38334 29587 27649 22470 33922 29395 33680 34306 31204 1 23204 27946 31364 28610 30843 25147 9349 33214 26446 23302 21098 27907 10356 22659 C11 H2 O7 S2 Esi-0.79100007 23206 37888 23668 28102 18299 30614 24807 27708 34176 22412 1 1 161130 25396 26390 28924 17747 1 29805 156578 22817 139906 25738 1 29164 C25 H30 N O26 Esi-11.675 54635 35168 40861 46325 30222 88399 38452 58973 66230 14551 20763 43829 53259 34894 27090 43457 68173 47667 45518 40623 28826 42909 35947 40713 36198 152.0471@4.091 1 1 15492 38147 1 8263 7663 11513 1 1 1 1 1 21907 1 17239 7572 1 12219 12136 13806 9331 1 1 1 C10 H2 N O5 S2 25118 19721 16582 23658 15232 20157 18925 15177 1 16353 1 14671 8332 14085 15860 7471 10885 18234 17806 27769 6164 12411 19008 35370 10602 C7 H8 N O7 S2 18331 22504 22181 25304 24606 20156 29481 27317 24025 30984 1 28973 22662 33702 25135 19010 28937 41479 39802 30778 33977 31472 28788 31158 11347 C17 H16 N3 O 30022 31621 29737 31160 32388 36937 31128 35375 31642 33905 27787 30880 32800 41404 29244 32476 37424 38638 39399 39245 37267 42436 37877 33990 34696 C12 H2 N O6 40669 8203 1 10049 8530 16461 19302 1 19041 12359 1 1 18058 13577 14148 19391 7988 1 10069 20279 15549 17571 11945 1 18600 284.0895@5.105 36632 1 1 1 1 19217 1 1 1 6683 1 1 1 10549 1 1 1 1 1 25024 1 1 1 1 1 339.2042@12.946 1 1 8077 9825 1 40160 15985 12241 32301 15052 1 1 10628 1 13278 6498 28069 1 7572 1 1 1 1 1 1 C53 H110 N4 O3 S2 25037 32225 30071 36985 34069 33562 31062 31840 36708 37347 1 27014 30580 32596 25009 25015 27728 13772 32690 32883 31989 29209 37902 13070 28148 C13 H5 N3 26871 97351 136893 107387 52738 59506 59261 116525 66701 73238 1 56230 125028 65451 12505 137143 227561 76413 121506 71377 182635 29640 190873 82077 97433 Esi-0.684 1 88767 105446 88988 90894 95736 51443 104596 91312 89052 90590 91963 1 97067 67795 1 101007 54826 1 1 95488 1 39383 91665 90204 864.8215@0.85 1 14896 6985 9878 1 13092 14756 1 1 10518 1 1 12152 1 1 1 12789 1 1 1 7023 13279 11958 1 1 207.0894@6.66 1 1 1 37519 1 11283 1 1 21363 1 1 1 1 10744 1 1 18832 1 10074 1 1 1 1 1 1 > limit Esi-0.84599996 27858 1 36553 38020 35745 38064 33086 37571 37885 1 1 38718 37773 37348 38128 1 30774 1 35357 32433 40959 37995 42043 1 46946 C10 H12 N4 Esi-12.946947 15568 1 16600 16892 13744 218150 34642 15903 23992 13867 1 11685 9845 1 13230 10565 50944 13506 12860 1 1 21754 11218 1 1 > limit Esi-0.8419998 :16 27616 29136 26107 25579 28900 26699 29956 25514 23873 31484 1 25513 24041 29999 28346 29911 30356 15939 29564 31042 28122 30917 26220 18298 19668 975.2777@11.852998 19522 1 1 39955 1 52676 1 27628 45430 1 1 1 1 1 1 25504 53806 24621 22213 20392 1 25948 1 1 1 923.7923@0.8430002 22612 28765 1 1 26883 30347 26219 36470 1 25476 1 1 1 29578 1 29882 20425 26018 31082 24079 1 27534 1 25513 1 Esi-0.8570002 :4 20674 22935 30637 32831 25439 28646 22297 34510 32650 23676 1 32556 33247 22365 30479 25113 19136 1 28238 23500 28696 24551 37496 1 36900 Esi-0.869 :4 20888 29224 21979 24140 18067 22412 26063 19016 19280 25475 1 18946 17849 22000 21851 21312 22518 33025 20342 20892 16565 17852 16477 33660 14635 C22 H18 N3 O16 52939 34390 37667 55344 44556 40784 40809 49103 49750 43817 28922 45836 50024 27636 28664 34236 53465 48992 52529 58600 51860 38599 32597 51790 40348 C46 H95 N20 O4 25249 26459 30432 29991 27818 26265 26007 28254 30375 25886 1 29445 30271 28066 30802 25305 23479 9268 28034 23967 28464 28687 30841 11036 30231 485.6702@0.8730001 12725 9716 9333 8625 1 8631 1 8137 1 1 1 9087 8043 1 8586 1 1 20993 8243 1 6817 7740 6724 21198 7684 C16 H S4 1 10470 11592 15624 1 9421 9317 9025 7377 1 1 1 6741 8653 11590 13758 10846 31441 9013 19486 11866 7543 1 31038 10302 C22 H6 N O26 19732 26020 25379 27139 15890 78803 57046 25604 52141 58747 97089 24200 18871 27629 22372 17789 25330 34628 22712 25151 26555 23613 20851 29494 21472 C13 H4 N3 O14 31847 39118 33647 26130 31711 33992 29678 32960 33208 28988 1 41547 32027 38426 27720 29202 25200 1 39777 23304 28379 30530 29622 1 36989 388.2226@11.604002 50046 1 31275 1 1 21507 1 11003 1 1 1 1 31039 1 7114 11568 12429 16063 10982 1 19103 23733 1 8861 1 C29 H23 N4 O17 Esi-11.408998 58139 77770 74654 85164 94510 61346 106513 83795 139590 99198 91784 75038 69991 122025 71430 65049 95894 101737 156905 87609 107654 101148 93259 75837 101482 Esi-0.86499983 :11 27570 35231 38026 34132 31961 34972 32926 38417 32301 35564 1 38392 30342 32355 34803 29586 26780 15297 31680 29837 28081 30348 33176 14286 31081 C16 H4 N2 S2 14744 30958 21401 17929 18679 22325 20987 21638 25475 24042 1 14366 21637 27217 26742 13037 17893 1 24249 14116 16638 20363 22782 1 14440 C7 H11 N8 O 32484 7321 6818 10057 7492 14773 12385 1 1 7025 1 6433 7303 9512 7674 13225 8209 1 10253 15965 36788 8030 14480 1 12461 C9 H12 N2 O6 Esi-1.6279999 1 18090 14595 14075 23102 31269 30309 19862 39020 17776 1 18549 23588 19726 18351 25898 26202 22642 28187 9010 10584 25907 23944 18122 16795 C24 H9 Cl O3 S 1 24296 19972 1 15896 29363 19430 35906 42261 29799 1 1 20727 27730 23035 18962 11119 1 26087 1 20240 18673 35697 1 20651 Esi-0.85799986 :7 19507 19695 28393 27218 19443 24087 23036 26856 29911 21354 1 27561 27678 22371 27368 20673 20261 1 22288 23643 27378 21685 30768 1 30384 C8 H6 N3 S Esi-0.9820002 59120 77805 88182 107161 57015 103551 56871 91494 57245 81814 1 66277 75279 92635 107481 70561 84033 55679 100632 64019 40109 72161 90782 61050 56589 C20 H30 O4 Esi-10.205999 103515 1 40339 19565 1 122023 1 63354 31627 1 1 27627 61422 55972 23886 61983 107243 14138 60405 18315 1 23251 1 33890 1 C12 H4 O13 S 25280 35683 27550 28776 19809 33612 25568 33117 34926 28059 1 20499 30753 31023 30488 32723 23065 1 32750 24912 26175 21927 25896 1 27432 > limit Esi-0.8419998 :17 28902 31220 27218 28054 31183 27479 26683 24793 24734 27266 1 26955 27070 29619 32108 31022 33872 18325 30318 30371 28361 29715 25658 17537 25253 806.6289@13.628002 1 1 1 19919 1 25283 18165 17821 27803 18102 1 13000 1 1 12827 16337 39683 15459 19843 14111 11582 19852 19501 33329 16304 C20 H8 Cl2 N2 O9 S3 40418 39076 41252 27245 27290 49827 33110 38723 43105 30716 1 33470 38447 34372 33212 37206 30544 26068 40191 29500 34671 28138 38374 23999 34614 C34 H11 N9 O7 17272 24455 19717 11034 22702 30341 24459 26470 39362 28287 1 15821 28615 29974 22951 30086 24657 1 38303 13938 30554 30106 26811 1 42326 C36 H17 N16 O15 69561 62530 66721 75251 62921 34767 60123 69101 54807 68573 65493 72765 82231 60783 71502 68261 84421 77779 69586 72081 81817 85977 86762 78888 71055 C18 H2 N3 O10 S2 Esi-0.8419998 106694 136707 149451 147119 149303 165594 139852 157988 166574 138774 1 148428 157034 147096 155252 140570 138266 42465 150065 127936 149301 138372 159802 38553 158618 C31 H8 Cl2 N3 O9 S4 22352 27779 26937 27116 23403 24558 24787 25675 23585 24819 1 21053 22870 25529 23537 27071 22927 16252 27691 26558 25901 28945 23646 13440 24390 C55 H108 N O2 S 25828 35348 38935 31743 33429 35969 38136 32746 37022 32493 1 30192 30209 34555 32734 34293 25800 12723 29766 32201 31779 33874 32616 15802 29297 Esi-0.85799986 :8 19786 20975 28417 25999 21870 23155 18637 30360 30332 20604 1 29049 27281 21235 27067 21610 16737 1 25317 18485 27845 24879 31398 1 37118 C40 H24 N5 O21 24853 20682 24349 31170 25464 40821 33829 28267 31253 31380 26029 28955 25298 28168 23785 29997 32637 32189 20418 36515 29361 32071 28992 25591 29964 C23 H17 N10 O18 72665 76114 43721 154441 118385 53651 62262 84693 77838 44536 21033 72529 133588 63615 62347 62756 125860 81440 91836 69207 108343 74493 127780 40272 145858 855.8087@0.842 28331 38389 1 1 34258 36117 32578 1 37526 35770 1 1 36790 33950 41582 32183 29629 31935 39135 28857 1 31864 41485 33448 1 C36 H23 N6 O24 84795 54914 83072 30449 39588 39633 45902 82036 24377 22669 26965 22640 1 25468 71092 1 1 47562 95218 138575 75284 33120 42633 31041 44152 Esi-0.8439999 :3 35788 37524 41309 38066 53847 40340 35687 46351 39426 34619 1 46447 44648 38510 39008 36343 35265 130733 38263 39109 47055 44961 43216 139527 45010 Esi-0.86499983 :12 23016 28100 35910 32064 26626 28673 27643 36806 28778 28412 1 30440 31778 25814 29240 29178 24376 9230 27912 24507 26286 27392 32546 9772 29066 Esi-12.035999 40544 95092 69195 82647 56221 68520 160689 88756 87536 96694 81451 73135 75612 98705 109511 30867 100460 142097 114579 132101 45503 105468 84367 100107 61211 C24 H18 N10 O11 Esi-13.984 12986 15953 20572 25558 14393 39761 66212 20925 28502 20238 9983 20142 11788 11391 17785 22807 18030 14929 25975 18761 21532 19527 17437 12237 13738 C51 H83 N2 O4 S 1 1 1 12059 18676 11931 1 9250 21740 1 1 1 9715 73934 78843 8416 17954 12846 54372 11278 82877 12313 13527 6423 6864 > limit Esi-0.8419998 :18 28666 26368 31565 29406 27174 27757 26364 28214 29464 28363 1 28922 30914 27108 31111 28836 25861 10989 26792 28025 30802 30438 33745 12485 30409 Esi-0.88400006 :3 22832 22509 20463 27283 17762 20845 20950 20017 11333 18703 1 17786 20039 22336 18309 17182 14417 22539 14477 26082 11960 18077 20025 30349 19578 C30 H43 N13 O20 19668 13121 26095 13664 17224 36328 19994 24210 42409 19863 1 16202 17408 15047 13784 18604 40479 36564 25714 38575 13963 33429 28612 26562 23680 C3 H8 O4 16720 25200 20680 19137 25486 14797 30059 15306 19602 20454 1 19107 14971 18924 21481 36753 7857 24629 13658 15945 24877 20548 17861 20300 17405 334.2141@8.911:1 40044 1 30517 26577 1 14444 1 81885 1 1 1 1 47976 1 1 7676 1 1 31958 1 1 1 1 22359 1 Esi-0.86199975 :5 19624 23220 29713 31051 24479 25772 23699 33111 32767 22513 1 31602 30063 23455 29948 23591 19549 1 27389 22479 31020 26364 34112 1 33061 C15 H6 N3 O 8550 32670 16317 19683 29893 24093 14000 23360 20225 10546 1 14911 22651 14066 30523 24883 20030 13643 34147 18895 34469 28487 16099 18996 20530 589.9035@12.948 88813 1 29838 42901 18201 23982 1 35514 1 1 1 1 25228 1 1 1 37629 1 79654 1 1 1 28864 1 1 Esi-0.8710001 :2 23598 29567 24974 24106 24277 25251 26461 27142 21737 24301 1 23781 26195 25137 22297 23848 23512 38076 21934 24587 19166 22016 19201 38136 15846 C16 H23 N O3 29998 25351 30634 33459 28289 36355 32054 33256 37850 29932 25743 30203 30613 34586 29062 33113 36980 33951 33567 31580 34078 33471 33648 34294 29325 372.2274@12.8289995 1 1 1 1 1 31798 1 1 9246 1 1 1 1 1 1 1 11998 1 1 1 1 1 1 1 1 C16 H4 N O18 S 22400 38522 29852 22731 21312 32730 29727 30973 30651 28648 1 17310 23720 30230 26866 27897 21980 7341 31441 24491 21125 18629 26816 9036 17747 C24 H18 N5 O18 18970 29237 26534 33538 11341 28308 26752 27164 13449 12445 1 10087 15689 27123 30978 21597 28577 1 32164 32555 15531 19412 11509 1 22895 C28 H12 N3 O 25753 29758 26746 22354 24798 28106 29785 29267 19433 32099 1 16530 27159 38110 35883 29942 29400 23723 38821 34610 25898 36415 40166 22943 35925 C11 H16 Cl N3 O3 S 30981 32718 31486 37898 20175 28243 24892 28288 8190 29984 1 22115 23030 22344 35867 14318 36882 19816 39560 39019 7124 21545 30940 34037 17222 C36 H62 N13 O3 23042 23461 22569 25941 26171 22548 24973 26814 25216 26029 24951 25187 25201 28515 23542 25767 28342 39653 32509 30561 33772 32191 35677 31805 32004 370.2347@8.405999 38019 1 20197 33553 1 122835 1 73738 32290 1 1 37701 22812 46512 1 85897 1 46659 1 1 1 1 1 21219 1 457.2638@3.216 26924 1 9044 1 1 30323 1 1 1 1 1 1 22618 1 1 1 1 1 9407 1 1 1 1 1 1 C32 H5 Cl O25 S4 39508 33575 34979 36419 28803 30791 32996 35565 34314 31109 1 26642 32916 29830 31593 31452 25596 9118 32815 30121 28739 25234 33058 7543 31827 Esi-0.8710001 :3 19540 24685 19870 18128 15990 22728 22576 20705 16264 22215 1 17668 15136 20550 18580 18842 19958 35134 17737 20153 13048 16323 17093 34715 13700 386.2301@6.946999 104313 1 73447 113102 1 364799 1 160675 1 1 1 127630 24431 121933 96424 19810 44055 1 181692 96491 61895 130957 1 127390 1 C15 H18 N7 O3 Esi-6.1790004 35901 21517 32258 20217 23019 26404 22990 26256 35931 27156 1 25310 16310 18604 28483 22675 35201 30840 27206 34268 29795 18859 34584 22023 23178 C50 H23 N4 O12 S2 109834 109744 70308 95309 22379 20842 75548 74088 20292 81632 63372 65945 67353 70417 88626 24845 98559 28072 81189 20649 76913 79875 81490 1 85567 521.9162@13.628 1 1 1 8245 1 22288 1 1 19679 1 1 1 1 1 1 8590 1 1 1 1 1 1 1 1 1 Esi-0.86300015 :6 28424 33258 33765 33024 31660 32936 30952 35307 32001 31530 1 33374 33966 28525 34521 30093 28313 16551 32686 29853 27753 29676 32281 17147 29916 C9 H15 N6 O3 S2 36838 32993 23767 29027 18774 25499 29040 25259 8617 23497 1 16426 21237 27110 30958 21375 21456 1 32242 28784 13690 22330 27003 1 18859 C5 H8 Cl2 N3 O2 S4 Esi-0.8500002 40595 32773 35051 38155 28515 33437 30569 46252 40174 31895 1 30155 35762 26561 35009 29084 18195 1 37245 27446 32635 27089 45367 1 43677 > limit Esi-0.84600013 34460 37339 36092 36499 31671 34496 34898 33667 34685 37808 1 34313 36313 33789 32428 34964 33926 67872 33642 34814 34688 30971 34111 71428 31299 230.1629@3.791 1 1 9843 1 1 36443 1 1 1 1 1 1 10502 15560 1 1 1 1 19987 1 1 1 1 1 1 592.4689@13.344 1 1 1 1 1 60658 13791 33635 56537 1 1 1 1 1 1 1 40528 1 1 1 1 1 1 1 1 Esi-0.84600013 :4 22547 22953 25546 23106 24373 20042 19028 28909 23687 22957 1 24234 30059 21520 25943 29298 21267 11950 21757 17947 28695 21414 27992 15917 32694 C16 H2 O20 S 20146 21820 22193 18501 19780 26136 20229 23344 23566 22639 1 17894 21384 22572 22079 20214 18221 8974 24962 20054 20764 18675 22794 7438 19616 C13 H20 O4 23649 17168 27610 20653 21507 24081 25571 36149 21750 25675 11561 24067 29009 32349 28522 25159 22338 25112 28363 37352 24206 25322 22825 23840 22940 C49 H104 N5 O 24131 23642 23363 21069 19529 23331 20447 18944 22002 25812 1 24142 23742 22430 19928 22758 17324 16118 22936 22499 19042 23063 21218 16092 25296 Esi-0.86300015 :7 15920 21169 21366 17497 17471 18767 16277 21779 17425 19561 1 18750 19028 15864 20419 18651 15783 30083 18855 19563 18030 17797 18651 32043 21362 C15 H8 N4 O10 S 34298 25201 20832 30639 18047 18932 22659 18889 1 20831 1 16681 14619 21142 22383 12744 18444 1 20887 33416 8832 15793 18703 1 11372 > limit Esi-0.8409998 :5 32629 32869 31025 29628 31991 32436 33329 27108 26618 34596 1 26860 27023 33087 31330 34255 33588 16943 27427 34334 32570 29732 23554 16398 22828 C22 H24 N9 O17 Esi-11.416 103276 41895 26120 125990 50449 100386 65623 80433 123146 71237 56332 72278 134661 70458 64858 65213 115521 130972 81119 1 75696 26956 70629 95352 71983 C12 H2 O5 S Esi-0.7910001 54296 65368 57845 61396 57428 63597 63263 69493 62726 61000 1 57349 59044 61805 66751 68289 57338 430318 66962 61361 65267 60014 65585 559011 69461 983.9953@13.260858 1 1 24803 1 1 37952 17990 129339 28790 6296 15141 1 1 1 1 1 49421 12297 21185 1 35449 25815 39526 1 30112 Esi-0.86700004 :9 9387 13689 12758 10465 11496 12374 10581 11163 9183 12159 1 9618 9885 10770 8254 9586 11549 22246 9276 11216 7456 10705 7345 18211 7997 725.8783@11.555 12425 1 1 1 1 13364 1 1 90473 1 1 1 1 1 1 1 31268 1 1 38238 39923 1 1 1 1 C53 H108 N2 O 21421 22857 19486 22282 18549 23667 21548 22643 21577 26400 1 18852 21179 21045 19664 19781 22314 37554 23085 19458 21978 20945 16797 34549 1 C26 H59 N21 O2 S3 9685 12936 8265 9511 9068 8045 9894 6279 1 8596 1 7329 6293 9561 5691 8941 10528 38716 7731 10134 6306 7337 1 37001 1 298.1601@13.385999 1 1 1 1 1 35874 1 1 34206 1 1 1 1 1 1 1 15336 1 1 1 1 1 1 1 1 C15 H2 O19 S2 11468 42920 19198 16591 8591 34312 17000 25471 32715 19598 1 13263 15630 30741 29074 19264 10329 1 34315 14459 20985 16282 23771 1 22099 C25 H29 N2 O27 S 23042 29113 13931 16783 24603 59617 68272 18266 21092 19773 22221 23269 23092 21769 24908 16224 25350 24970 86584 24679 23174 32549 34255 160942 28849 > limit Esi-0.8419998 :19 21236 23119 26447 27762 27041 23238 23629 25021 25871 24084 1 27739 23063 26465 28876 25749 25881 9487 23720 28012 29057 30689 25948 10621 25632 Esi-0.8500002 :5 24752 24090 28734 29320 23082 21309 23521 33177 28952 22827 1 28773 24694 23506 26900 23564 17702 9426 27082 25425 28486 22458 32876 10348 33689 C4 H Cl N S2 32057 41192 36170 32933 30023 38242 37933 39599 34078 40716 1 30051 31707 39049 37623 35836 26540 34943 31318 33756 31207 29677 30368 33133 24226 Esi-0.6899998 56144 85131 48805 103169 51389 52936 75122 80089 67520 80665 207147 81968 67463 82849 66932 95145 83416 51547 45350 92877 49333 104587 64239 86714 52324 332.0982@4.657 33612 1 1 1 1 21905 15808 1 1 1 1 1 1 16125 1 1 1 1 1 23379 1 1 11237 1 1 > limit Esi-0.8419998 :20 27942 34971 30153 31359 34915 33801 29644 38046 36427 34482 1 35642 35357 37899 36757 36691 31130 14470 35030 29535 36396 32502 34435 12490 32059 Esi-0.85400003 :5 36049 45576 38614 37164 42888 48001 40962 46893 42362 43260 1 36987 38769 41474 40094 42854 36147 13417 42899 39079 36285 39113 42923 21619 32319 C19 H6 N3 1 13155 19490 1 9945 15454 16730 18252 20604 12428 1 13132 14464 15847 29628 30018 13686 19057 15471 11805 19906 16919 28296 14062 19847 C11 H15 O7 33465 9351 8728 12431 8504 18486 16235 1 1 10776 1 8985 9658 14131 10426 14941 10669 1 14155 17208 33481 9905 17142 1 15219 C4 H5 N4 O4 7886 17111 13170 1 26506 20153 21961 9833 13017 11387 1 10598 8774 26026 11384 10824 11175 19812 19830 14001 10268 12212 12854 14434 10442 C18 H36 O3 29128 23118 39870 28170 41776 67520 28885 77953 23377 25731 67828 35001 1 91306 27190 33117 49780 48820 34978 46253 49099 26977 24216 40074 15665 C27 H58 N5 O24 21525 25628 19460 18128 23169 23671 23052 17968 18043 23048 1 19408 16847 24389 17647 23775 24799 33617 22308 25074 17776 19363 11387 29848 12182 > limit Esi-0.8419998 :21 25574 25674 29404 28770 27601 25368 23548 23799 24291 27322 1 27835 28329 27043 30648 28796 28074 14410 25010 27123 30616 29758 27328 10971 23689 Esi-0.8630001 19523 22257 30820 32080 22937 26177 26440 33882 29298 25888 1 28530 23699 22856 30046 23294 19960 1 24500 18419 27224 21065 29819 1 34761 Esi-0.8719998 :5 12310 20256 19656 21068 15225 18829 17223 22907 19201 18762 1 20843 17028 16522 18489 17133 16276 6923 16815 14910 16487 15806 20102 7180 18135 308.0866@8.132 1 1 1 1 1 32784 18337 1 17446 1 1 1 10500 1 1 1 1 1 1 1 1 1 8802 1 1 Esi-0.89599997 :3 38912 11941 13009 12770 12380 12018 15100 14095 12647 13149 1 13865 17414 11597 12492 12394 20311 1 11984 14610 11879 12890 10425 1 8966 152.0147@1.04 40296 15670 1 1 1 21816 9677 1 37719 1 1 1 10131 20367 7399 15125 1 1 8527 21002 8685 14092 1 1 16751 C8 H12 N4 O3 Esi-13.364002 :1 58483 67861 67479 101782 52184 67078 60611 69348 297173 119273 60560 75384 71058 75818 122249 131083 71824 90113 81979 44186 101540 83129 65829 42029 44112 219.1104@3.601 36099 16365 1 1 1 27510 1 1 27617 1 1 1 1 1 1 15110 1 1 17299 1 1 1 1 1 1 C15 H2 O19 S 18846 32974 22617 22746 14560 27943 21349 28438 30060 24845 1 15863 25184 25424 24936 27806 18932 1 26332 20651 19205 14849 23154 1 20538 Esi-0.86 17557 22516 26242 26611 21664 22699 21854 29796 26748 19966 1 28554 27278 21194 26575 22806 17581 1 23263 18291 24908 24373 30680 1 34521 C39 H38 N9 O18 1 9702 1 1 8850 16834 9522 12359 40309 17288 1 1 8645 23085 10393 18222 1 1 18071 1 18750 15417 13471 1 16959 C14 H4 N5 O11 1 25947 18431 1 12692 31017 19523 26956 32400 34677 1 1 15625 27794 16650 17958 10383 1 25903 1 16550 15719 27461 1 12621 C6 H13 N O3 Esi-1.2210002 39294 16455 17943 10781 9616 20307 16837 13276 12506 12852 1 11510 13962 21379 9150 14686 8798 7189 13023 22737 11896 10274 14727 15549 15649 C15 H21 N7 O5 23242 23060 25244 22925 20485 22185 23809 23843 23941 25890 17730 24537 24930 26947 24636 20558 27409 28637 33486 27850 28096 27502 31029 31613 27668 C14 H2 O14 S 22239 32551 25998 24374 20462 31325 24010 28620 28366 27336 1 21136 28463 30611 30001 22250 22115 1 32225 20283 24677 24399 29174 1 22353 184.1104@7.7149987 1 1 50804 25801 1 34464 1 26083 23635 1 1 1 1 18959 1 20724 42480 25615 20944 22018 18293 11593 1 1 1 C12 H12 N4 O9 S 25606 24605 25579 14694 14595 15117 31139 9228 25336 18804 1 19609 12904 13967 16786 28158 19174 20035 34214 32667 17235 20520 26207 26374 23700 C5 H8 N4 O5 1 20152 30100 22617 12027 13245 11706 27616 13880 15063 1 11895 28621 12445 26265 24923 54572 15374 25475 14014 40564 34034 43039 16816 20001 C7 H10 O5 Esi-1.6779997 1 21694 33053 12866 23704 20190 21090 21936 21061 1 1 19896 18852 29608 24701 22834 20170 15595 23069 25086 43479 25446 1 1 34666 C30 H34 N O24 S 23830 16934 28720 34714 23748 47214 19854 25077 40936 19649 16673 1 24876 22833 30492 20556 38847 32669 30632 21029 16376 22640 21799 27387 20521 C7 H9 N3 Esi-13.977999 9178 1 11284 12201 13835 30517 19812 8765 36380 39928 16967 1 13754 9572 15569 11577 17217 10088 10275 8043 1 14070 12299 1 9810 C19 H28 N6 O3 Esi-11.753002 38596 1 17714 7162 1 88700 1 9776 17784 6275 1 9266 19148 17831 7114 9583 9143 16063 36215 7451 19103 23733 1 14648 1 > limit Esi-0.84600013 :1 28280 27296 35238 33708 33639 33948 35247 37389 37170 31642 1 37354 35959 31528 33348 30904 30182 16949 33048 29137 37528 34172 36607 15604 34788 714.3583@11.798 1 1 1 11145 1 37007 1 1 24136 1 1 1 1 1 6739 1 23284 1 1 1 1 1 1 1 1 C6 H10 N5 O3 17896 24946 16321 13418 14558 13154 18024 14030 12801 7349 1 8357 12470 18116 11637 17941 23529 36114 24567 21437 17779 20926 26506 20912 19822 C14 H2 N2 O8 S3 18228 35557 22119 20840 13955 30652 19993 25313 31059 22733 1 12710 25541 26820 27709 20327 16966 1 31206 17609 18704 16668 23045 1 21864 C50 H107 Cl N12 22896 27826 18563 17475 25923 22406 25175 16403 18046 24159 1 22165 1 27552 17600 24559 27742 37823 22786 25116 18003 22030 13368 34676 12290 539.3217@11.0348015 1 1 1 1 1 136411 1 45994 186016 31379 1 19988 49232 1 1 47898 76873 1 27589 20481 96091 142115 24700 22992 29588 C19 H28 N6 O4 Esi-9.587001 59337 1 25516 40540 1 41474 1 42796 23593 1 1 24802 36305 14531 18748 37370 30547 17104 38227 22916 25978 22999 1 25477 1 214.0222@13.361 1 1 10167 25104 1 60547 19568 15978 48317 1 15141 9580 11634 1 17633 10654 25269 1 1 1 1 1 1 1 1 C15 H19 N13 O4 22927 24522 25008 18194 22805 15732 24011 17257 22882 21719 1 21497 20037 20851 20861 19492 20127 28996 26486 26414 31927 25666 36074 26504 26545 310.2139@10.533999 1 1 1 50701 11548 11433 1 1 34816 20715 1 1 1 38772 1 1 20118 1 14106 25292 1 1 15814 1 1 236.0725@0.98200005 14550 10292 8097 1 1 8766 9371 7504 15771 1 1 1 12337 1 1 15471 14550 1 1 1 11603 12299 7881 6297 1 C11 H28 N6 O6 28881 30223 22931 19293 31717 36777 26823 30054 24934 25236 26953 1 30349 1 22793 31348 28621 35391 24608 33763 30731 33066 29360 27369 52619 Esi-0.86700004 :10 17867 21882 19333 18047 16790 18302 19329 17268 14306 22022 1 15968 16104 18295 16872 18172 17991 30041 17772 18389 14130 15461 16066 32584 12832 158.094@7.4809995 10516 1 1 1 1 31094 1 11287 11045 1 1 1 1 13240 1 10731 18464 1 13518 1 1 7420 1 1 1 699.1064@13.266 1 1 1 24736 1 26335 1 25625 39384 1 1 1 24633 1 1 1 50352 1 1 1 1 1 25557 1 1 C12 H3 N O2 S3 1 15487 12373 17024 22996 9234 9279 11870 9741 6614 1 35119 16677 1 17202 11105 21792 1 13594 23096 22969 18001 6557 7269 17176 C19 H26 N7 Esi-9.666 :1 201216 15391 1 17939 1 69778 1 74489 1 1 1 1 59133 1 22443 94234 1 15163 108770 1 27562 63059 1 67099 1 296.2349@12.082 1 1 1 17242 1 20723 1 1 12759 21916 1 1 1 1 1 1 15825 1 7491 1 1 1 1 1 1 C12 H3 Cl N5 S5 8511 12227 14081 14953 11897 13037 12134 14916 16835 7105 1 15635 15603 8186 13816 8649 10567 9139 13101 12031 15072 12455 16191 9305 19465 > limit Esi-0.84199995 :1 22630 21966 24417 23589 26625 27923 23034 26312 25628 21129 1 26197 29156 23460 29481 25660 20945 1 23503 24667 27429 26475 27084 1 30626 C23 H20 N3 O16 29168 16317 29607 34341 20029 60490 31353 43741 58754 22476 14674 19158 18663 23444 23431 30898 68418 17238 45273 38711 39871 15096 42673 21254 12879 342.2181@11.471 14251 1 1 1 1 52743 1 1 28223 1 1 11184 41031 1 1 1 19580 1 6398 1 20672 1 1 1 1 C3 H N O5 S3 15730 13151 15929 14831 23981 13309 12266 16707 13957 12797 1 29625 17703 21358 15537 16322 16410 1 37183 21363 20037 19057 19774 1 36279 > limit Esi-0.8409998 :6 29132 25416 20301 19238 24541 22400 25468 13722 15838 24390 1 15216 17525 23861 20321 23015 27772 29374 19612 22824 18354 23723 14042 27641 12539 C24 H26 N7 O3 19126 15273 20137 14663 16144 19100 14664 19125 21829 19013 1 14882 11054 14682 17601 16253 22841 21104 20283 22338 28458 15426 24924 17550 16778 C3 H2 N3 O3 Esi-1.6209998 23714 23277 26957 26216 28001 32331 17721 31628 20166 29776 1 18919 28873 36470 34356 26075 24079 31452 15955 15165 31561 30892 20394 15808 43167 C14 H10 N4 O4 S2 7705 11456 10142 11579 11021 6782 11710 8114 1 11677 1 9602 7599 13684 12695 7869 12699 29074 11635 17076 9125 14030 14391 31821 10941 60.9783@13.757002 10929 1 1 29032 1 31555 29677 1 50437 1 1 34535 1 1 26020 1 1 1 22992 1 1 1 1 1 1 C42 H52 Cl N3 O4 19320 18980 17751 14582 17331 16077 15013 12411 16776 17777 1 13016 14498 14401 15653 15262 16296 14061 13965 16986 13150 14910 12907 11859 12512 C35 H71 N6 24378 32517 36422 34155 30218 29185 31947 32924 24403 31784 1 32599 27452 31374 31597 30173 29409 22562 26895 36779 26070 29436 28802 21240 25248 Esi-0.874 :3 21644 27458 31719 33322 27912 23999 24581 31629 30260 27602 1 30232 26886 25509 28093 23448 18252 12831 27548 22683 27668 23262 28694 12739 31771 C4 H9 N3 O2 12030 12133 26424 1 9644 37441 22570 9892 7451 10121 1 9737 33802 13994 9911 34492 20312 33644 24694 1 19927 11532 12710 20090 10502 C15 H10 N6 O4 16447 23363 21712 16221 20382 19638 21254 18293 1 21519 1 15261 18675 23170 28603 24498 13015 19176 22967 20746 20606 22770 26351 18332 17054 Esi-1.0219998 9217 47126 21880 21190 37377 17905 39420 23074 22025 36260 1 14598 15856 35712 17007 20021 12818 15336 34549 14217 16190 15393 39014 11610 14095 131.0942@1.823 1 1 23305 21708 1 16248 17676 1 1 1 1 1 1 27862 1 12869 19731 26604 30629 36226 26686 37135 51798 26629 40433 C8 H4 O9 S2 Esi-0.861 388675 487088 437046 406690 387809 437080 441814 415072 386796 429629 1 396260 394524 450423 404920 418994 395451 491857 398853 393544 349008 389310 370291 482931 315613 C9 H16 N6 O3 S2 23862 25547 25081 18684 20956 28621 22393 9407 17831 22929 1 15693 23448 29298 31126 36378 5793 17895 27516 25813 24736 32815 32473 18781 19898 C19 H4 N O13 1 27716 20844 1 15562 30598 20928 31474 32806 34035 1 1 19245 33031 18679 20162 13234 1 28682 1 16150 18506 29922 1 13115 C20 H32 O3 Esi-11.604002 :1 230409 8440 131275 24514 1 96227 1 46561 15597 1 1 15716 143302 7534 15501 49393 47529 16375 40568 26182 25650 17064 13722 32202 6989 C35 H26 N7 O21 S2 37597 39273 40614 26327 40381 35641 34593 29624 34508 48762 41258 27886 43876 44239 24697 30367 44202 63547 34928 36073 39536 52544 38268 30733 52140 648.528@0.84999996 8229 9193 7811 1 1 6550 1 1 1 1 1 1 1 7392 1 1 1 19188 1 1 1 1 1 17298 1 C11 H2 N O13 S2 Esi-0.7889998 94249 190191 119822 112727 84083 160393 121287 153292 174953 132929 1 85622 150262 151140 155077 117714 91579 1 164953 98921 121100 98115 142790 1 139330 326.1913@13.386 1 1 1 14673 1 46561 1 1 38437 1 1 1 1 1 1 1 27650 1 1 1 1 1 1 1 1 C9 H7 N2 S Esi-0.9459998 33578 62284 61511 72373 38997 64535 46979 65936 32783 60412 1 56456 54449 59661 76587 43810 62335 42625 76293 45338 20666 45331 62523 46984 34596 Esi-0.86300015 :8 25058 32863 33256 29862 29543 30264 30741 29872 29297 29884 1 29808 28545 29471 27027 29438 27337 15701 30720 25927 27575 28645 29945 15580 25951 605.3318@9.096 17872 1 45952 16582 1 36067 1 26213 12651 1 1 9264 18951 13471 1 16497 43112 18082 33743 1 9519 8800 1 12035 1 C59 H104 N2 O S 22684 22991 25406 17139 22225 23810 23232 24946 26189 22802 1 20892 21963 18909 22320 21176 19707 9092 20562 19095 17172 19839 22570 8540 24793 C57 H112 Cl2 N5 O4 30125 32987 1 29051 29500 30993 30950 33645 1 32706 1 24421 24994 31396 32908 33204 32724 37747 35247 26201 27180 28971 31387 35780 1 C36 H79 N21 O 27982 31358 26142 33112 18506 26186 26266 22526 9584 30896 1 18379 17768 25909 27069 20401 19414 21258 29420 29859 10485 22983 26012 29519 15974 Esi-0.8530001 :2 23847 23757 31517 29852 18481 24632 22994 33089 28591 18979 1 29974 32039 25440 29087 23251 18793 13495 29655 24731 28608 25359 34149 13460 36733 C36 H6 N2 O3 18242 25815 24796 19157 7103 22652 8964 23261 25643 19232 1 24878 24795 18981 22783 20091 24050 1 31681 11019 14613 24782 20778 1 35197 C14 H26 O3 1 14568 43367 64800 14692 10908 13950 1 37733 19219 1 13118 63474 17187 1 1 39558 33209 56279 1 1 53018 57667 11559 1 C33 H23 N6 O21 S Esi-12.218998 49697 46322 49470 49088 53631 25331 44725 52016 23938 42722 46486 46965 49776 47247 43599 45488 56092 67328 55008 65939 65098 68704 48158 53517 31625 Esi-0.89200014 :4 32720 29743 25547 51219 29131 25488 27997 21104 8810 25222 1 17550 13964 22621 29707 20108 20494 22587 25582 31024 11313 20461 25127 28895 15904 438.2242@7.3489995 1 1 1 23518 1 45679 1 1 37740 23882 1 24119 17630 1 1 1 41903 1 1 1 22230 1 1 1 1 > limit Esi-0.84799975 :1 12789 16841 30930 29489 20543 22075 20877 27335 31154 22701 1 31940 27736 20653 1 21077 22118 1 24106 20771 30403 23579 1 5948 40862 C26 H26 O17 43918 8909 40206 23283 16381 52799 13473 14364 41980 24866 17484 25301 29568 10143 13158 29542 28775 45218 30528 35397 45474 29783 36415 39657 14996 C7 H12 N6 O2 17522 11031 26767 19680 13418 19962 11553 16699 11433 23079 1 13233 13831 19110 10774 11295 18669 25001 20748 15857 14420 10401 21030 14937 15371 C26 H2 O24 S 14472 19693 13087 12417 13219 15785 16394 11732 9929 18989 1 10669 10136 15852 11825 15574 16843 29385 14815 14755 10629 12922 11881 31206 6951 C8 H Cl3 N4 O9 S 29047 26791 23022 35530 21299 20564 24364 29141 7638 25717 1 22975 20447 23266 29973 20234 23419 21506 30030 34014 10162 22623 24955 35788 17424 > limit Esi-0.846 1 20803 28525 28561 29012 25174 23903 32116 34672 22516 1 30891 33084 27623 30804 26723 24746 7640 28427 1 31518 29074 30839 1 36422 C44 H93 N17 O 6196 12704 21394 20341 11434 11797 11894 14996 25138 14046 1 22350 13886 8539 19353 16787 11237 7374 12730 13729 22664 16048 28421 5415 36019 C40 H85 N14 29995 32536 28409 36365 27681 30158 29776 29984 15990 30116 1 27280 26208 28502 29699 24808 24756 19511 31453 32603 20206 23767 28359 29798 20539 C22 H32 O3 Esi-11.382002 216149 41939 219815 48011 1 321184 38621 69288 97815 31149 1 39045 705146 66922 55584 62901 113221 15056 125053 98505 94629 72429 70654 94155 46932 C20 H27 O23 38011 88302 33561 51289 68753 34606 103046 53561 1 129951 92751 74160 47680 58647 1 76581 77793 92885 50812 135304 94518 86619 155949 76820 149163 C5 H10 O3 Esi-3.3429997 :1 65064 57546 64111 116132 54657 56657 64774 62645 39320 56448 1 77904 52709 103603 49917 62869 39969 100158 52702 56364 56677 65100 75152 52894 58658 C32 H62 N2 O27 S 17352 18931 12662 12281 18155 17880 16953 12113 10181 18111 1 11971 13142 17166 12799 16909 19156 32110 15759 18357 14059 15925 10101 27622 8101 426.0226@0.8590001 1 17354 1 1 1 24053 6073 23220 23959 29803 1 1 1 17833 1 1 1 1 14781 1 1 1 22064 1 1 C18 H16 N4 O3 1 18794 1 6366 15942 8159 1 7987 8868 1 1 7014 12304 1 20237 8851 10573 15876 13487 8840 28243 16312 1 31306 10114 C18 H4 N3 O18 19116 18743 15766 16408 19457 19150 20242 16582 15187 19347 1 16040 15000 19046 17680 18885 18226 32550 16311 20329 13871 16054 13165 30577 11527 C43 H79 N3 13725 14915 14460 18482 17534 16436 14421 17997 14623 13500 1 16030 18476 15449 19724 15836 16041 9015 16638 15796 17602 14493 19448 8976 17652 C23 H2 O22 S 13793 21310 12380 13195 15546 17382 17783 12330 11549 17854 1 10400 11055 13574 13988 14688 15589 32443 12976 14603 10305 12505 10914 33492 8893 C15 H10 N4 O2 1 15919 10355 10868 11099 28979 6712 16687 28316 8111 1 6964 26529 16118 24651 20542 15942 7018 32589 9597 28106 29050 15736 1 17721 C9 H6 O4 19336 28693 27389 26971 21105 26787 25665 29136 14619 29877 1 23491 24109 22846 26613 18283 27828 19979 27448 26838 11886 20736 28866 25974 17766 C18 H2 N2 O12 S2 13980 29554 16631 16108 13847 22636 15662 21351 23580 19508 1 12361 20763 20443 20743 16853 14128 1 23299 15719 16398 15409 18336 1 14567 C3 H4 O5 1 1 12842 18240 1 24073 1 16186 36113 10338 1 1 27197 21076 22679 21554 16694 1 10652 1 17437 17671 15352 1 13252 C16 H6 N O16 S2 1 23686 12602 1 10224 25547 16544 20553 23337 32254 1 1 13302 24622 14101 12790 1 1 21695 1 8612 11140 23117 1 6757 C24 H24 N3 O16 Esi-11.358001 43568 64581 68750 17942 14891 52227 33140 51502 31850 62364 34754 32900 47982 55494 139709 58919 64673 47580 65073 92403 39361 62519 34978 52263 45454 Esi-0.86499983 :13 16255 25934 24461 24418 22010 26351 26327 25895 22158 24364 1 22252 23943 21691 22029 20976 20286 32625 24429 21823 17117 22276 24046 32008 21169 C27 H40 N25 O4 S 28295 29394 26517 24077 29716 27673 30106 21975 22939 27856 1 25133 23342 29931 25296 28109 27480 16904 25478 28762 23861 26767 22379 17648 17836 605.3319@9.608999 19562 1 38520 30797 1 44070 1 40828 16696 1 1 16080 26500 24144 1 32160 68061 30981 47569 1 1 14740 1 21865 1 Succinic acid Esi-1.7749999 18402 33817 48081 38278 1 29755 12901 20937 19871 1 1 19880 41359 22955 28180 29465 31636 20832 39547 18848 1 33218 18717 1 26734 C52 H38 N13 30748 32660 38073 36874 31358 32041 34688 37176 31027 27523 1 37853 35863 30291 32271 35071 31328 11512 32740 35389 31316 35383 32228 7426 28521 Esi-0.88800025 :6 195470 161976 145861 217627 120075 135620 157416 141036 58106 143718 1 122607 114409 157758 178988 119109 161593 179802 192677 240093 86255 144009 167510 267237 130674 > limit Esi-0.8409998 :7 29934 30295 23576 19982 26401 24838 27383 17964 1 29594 1 18334 1 26009 22550 23429 32781 35901 20699 28998 19908 24196 19298 33403 1 360.23@10.337999 51924 1 24933 1 1 47588 1 18472 18218 1 1 1 40389 11747 1 1 20533 14669 15480 1 15863 1 1 20432 1 C29 H18 N16 O10 Esi-11.6950035 98390 57393 74439 73787 54695 118132 23266 89619 106887 68030 1 13301 19640 59813 88339 75010 86218 15450 1 14575 22055 10925 12996 69922 68889 C17 H4 N2 O12 S2 12265 29399 25954 20608 17262 29679 23558 32475 27504 31700 1 11920 18034 27530 25258 17305 14491 1 28319 17454 12264 17090 33912 1 12881 212.0664@4.459 1 1 1 1 1 16437 1 1 1 7475 1 7671 1 1 1 8375 8719 1 10902 1 32904 1 1 1 1 C21 H2 N2 O21 S2 20184 21713 22744 24023 21025 20727 23232 23504 24862 22515 1 19466 22414 22485 23951 21842 16943 15472 23664 20047 21561 19752 23316 11829 21503 494.0917@11.134002 1 1 34340 1 27737 19424 1 28435 68312 1 21765 13206 29968 29101 35007 1 36115 30186 1 28012 1 54042 25448 37587 29442 C14 H3 N2 O12 S2 9906 16854 22350 13485 16912 17388 15697 24784 23543 17948 1 24255 22946 14735 18795 17562 12683 1 27374 13847 21557 18504 24935 1 36654 367.2329@13.395001 1 1 1 11262 1 15789 1 1 20809 1 1 1 1 1 7801 1 27049 1 7836 1 1 1 1 1 1 307.9257@13.98 1 1 1 1 1 17626 1 1 13233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H2 N2 O18 S Esi-13.350002 17314 18905 22551 24806 12019 40775 24723 14752 40499 1 1 1 17765 1 25196 1 33087 14230 23305 12838 1 20743 14733 1 14033 Esi-0.7830002 16110 26873 25461 30120 20774 26343 25685 24677 25030 19804 1 22858 27397 31395 30047 28271 29554 27790 34529 35333 33933 30331 21911 47355 35547 Esi-0.7799999 20704 15751 16136 17689 19969 14253 16672 15741 13002 14387 1 32237 17306 17544 16664 19154 20838 1 30652 21596 24600 23943 23734 1 32684 C15 H20 N18 O3 73432 1 30726 35771 1 53413 1 43084 22194 1 1 18512 44797 15083 17265 23317 30230 14393 32915 17807 1 18611 1 24306 1 C44 H6 O11 19262 16634 16149 13923 18406 14904 16663 14525 16377 17043 1 35378 19823 12363 15299 17428 20839 1 28063 18278 21593 20874 15113 1 32696 C19 H28 N7 Esi-9.822001 35797 1 56052 19420 1 184185 1 65765 23638 1 1 23100 74098 38759 19114 48262 52483 24518 24256 11314 18055 16596 1 30352 1 C15 H O15 8881 16408 17137 14374 15119 14148 13929 19863 20951 14046 1 23488 17983 12324 14884 13685 11922 1 22208 10879 18650 15100 22253 1 29872 > limit Esi-0.8419999 :1 21236 23119 26447 28722 27041 24561 23629 25021 25871 24084 1 28063 24882 26465 28895 26335 25881 1 23720 28012 29057 32079 27483 8070 26553 470.9188@13.981999 1 1 1 13749 1 24417 1 9843 16724 1 1 1 5920 25739 8984 8244 11017 1 11004 14902 1 1 1 28828 1 806.9913@2.4090002 47897 1 1 1 1 96783 1 116454 85791 1 145833 1570422 199376 759773 1 1 1 299152 1 68762 337231 20833 1 569013 1 C47 H99 N10 O 18810 26998 33613 32667 25945 27943 26860 33850 28793 26775 1 30934 33483 24282 27034 21890 17680 1 29862 25430 28254 24336 29314 1 33332 132.0422@3.1189997 33520 1 1 21088 1 59347 1 18045 20355 1 1 1 13796 13560 1 26440 24575 1 22342 1 1 1 1 1 1 > limit Esi-0.84600013 :2 29997 33944 30425 28361 28203 28860 31514 32846 34118 26306 1 30036 34125 35173 31777 31319 25696 22510 32354 33715 29243 30074 31564 20618 30989 C33 H47 N3 O8 1 20625 9515 1 12629 24268 36923 1 36432 25829 1 9637 17827 1 7718 1 10720 10250 1 21497 18561 10787 27960 8515 17052 C23 H4 N5 O19 S 13000 15047 12154 10622 13811 12906 14257 11104 10690 15061 1 11154 9763 14921 10913 14372 15058 28907 12304 14492 9708 12369 9894 28513 7011 C11 H N3 O2 S3 1 17292 15826 11425 11116 20997 14020 24052 16800 22178 1 10039 14555 18761 17763 11377 8747 1 21764 1 8811 12073 23110 1 12500 Esi-13.358001 11841 1 14932 15189 1 22121 10246 11281 27412 1 1 9986 14025 1 16981 14081 20730 16020 1 1 1 1 15452 1 1 C11 H8 N3 O4 S 1 14915 18750 17855 12085 10004 12733 13285 14128 14694 1 16700 10494 1 24004 9732 13787 14804 10175 11401 10891 7693 17198 16395 14064 C7 H18 N2 O8 S 14825 12233 11337 11558 12946 21840 18638 14146 22779 13871 1 11851 15336 15688 14578 14365 9815 13493 21367 14038 10653 18957 15424 15813 16897 Esi-0.87999994 17606 20650 33645 34122 23649 23700 24772 34973 27857 22260 1 33669 30041 22814 28285 23163 20485 1 23055 22043 27558 26171 31400 1 29573 C8 H11 N5 O S Esi-13.548997 38718 1 28558 43577 1 7757 20549 32921 10737 25630 1 46651 30493 34726 23011 15449 37496 42333 1 63454 1 46715 17165 25876 1 Esi-13.356002 1 12515 17697 46022 1 69070 37231 32158 85693 25914 1 16453 20249 1 32762 19327 60681 20527 26531 1 1 13345 13257 1 1 C47 H93 N17 O3 6178 11243 18217 15544 11964 13942 10883 19355 24758 13093 1 21602 18257 11752 23000 6861 1 1 14344 9160 19179 12645 21289 1 32796 C19 H2 O16 S2 18651 27052 19101 1 15862 29854 24567 31159 28144 29916 1 1 20102 22019 19601 16030 16321 1 24561 1 13031 15939 28895 1 13699 447.3831@15.436001 1 1 1 26412 1 34634 25673 11224 37436 14959 1 1 1 1 15846 11280 28970 21760 1 1 1 1 10688 1 1 Esi-0.84600013 :5 14943 18150 19263 19112 18996 21788 15020 23659 23973 15253 1 28413 23761 18892 22921 17583 12349 6950 23859 16810 18350 20357 28526 10357 33750 15-Keto-protaglandin F2? Esi-8.770997 178124 61473 76977 134243 1 190034 1 187577 76004 28697 1 86085 116852 71972 76213 175169 112871 111647 191634 86627 43538 96547 30977 118176 36266 1613.982@2.169 1 1 1 1 1 11708 1 39457 1 1 1 1 1 1 1 1 1 1 1 1 34595 421233 1 1 1 C39 H3 Cl2 N6 O4 S4 27631 32011 28370 31203 32440 28817 30793 26232 26293 32126 1 29581 27479 33098 28438 32758 30946 11826 29685 29061 27671 30042 23662 11143 19666 C19 H2 O15 S2 11442 34986 17707 16789 11716 27927 20200 24038 31785 20223 1 10615 24782 23003 25170 15537 14302 1 29029 14919 15175 14158 21263 1 17573 C15 H4 O14 S2 Esi-0.8419998 112583 131238 140910 134372 126155 134503 131638 144040 153042 128645 1 139819 139466 136890 150827 127659 113625 36761 140310 121629 135944 130946 149376 33976 146831 589.9039@13.983997 11874 31532 7027 1 9827 18364 1 7497 12037 1 1 1 15031 1 16342 12782 22213 9392 12101 8864 9854 12905 10103 1 1 244.131@6.121 16216 1 1 36551 1 22002 1 12850 17225 1 1 12931 7842 1 7467 14480 13225 1 13835 7752 1 13407 1 1 1 C5 H2 N2 O S4 20825 37998 39378 40025 34765 35490 35533 40608 37527 34397 1 38621 34852 33831 33981 26085 31614 23819 33928 35337 31927 35105 40121 25531 35002 C20 H2 N2 O21 S2 11946 18008 15994 15324 15093 19787 13474 19968 21966 15310 1 14768 16279 14613 18108 16449 14540 9065 19022 14621 17236 14490 19444 9877 17531 210.0866@6.152 17818 1 9582 30519 1 32309 1 14340 14926 1 1 10818 10712 9277 1 12223 12030 9595 12509 8571 1 10164 7736 1 1 Esi-13.151499 71059 124138 53468 65809 1 42585 56772 49801 93728 58348 1 1 108348 69603 199803 85462 42078 120494 105435 265760 69979 49850 73284 182102 211708 C53 H3 O4 S 17395 15360 15657 15770 18424 15649 15354 16821 16965 14092 1 27073 18046 14562 17266 16405 17575 1 24644 16382 18309 16801 18621 1 28227 279.0619@0.937 34462 1 9534 1 1 21889 1 12451 10047 1 1 1 7854 1 1 16504 9104 1 10607 7529 1 1 1 1 1 Esi-0.86400014 :2 14229 17788 24841 21965 17670 18573 16747 23805 20375 17151 1 22411 18691 18479 22747 16859 14553 1 19074 15755 20991 18540 23182 1 20714 C39 H9 N3 O4 9389 15419 31702 21238 10152 20004 8868 21260 21849 7122 1 23071 16972 11062 13518 8006 10994 1 15748 1 15547 8717 30399 1 21070 C24 H24 N3 O16 Esi-13.365998 1 1 1 22133 1 19720 1 17204 1 1 1 1 13733 1 15519 13571 18966 13675 12995 1 1 16182 13342 1 1 1127.7393@0.842 30791 33081 1 1 29688 27827 28774 25749 1 32396 1 1 1 28045 1 33098 1 26847 1 1 1 1 1 23972 1 C5 H O9 S 11255 12621 11595 10680 24766 13212 11028 14800 10638 11707 1 27490 14722 21488 14662 15381 12312 5321 34422 11984 20222 12703 15754 8423 33142 C31 H28 N6 O18 34528 1 20383 22345 1 27638 1 26930 15261 1 1 14903 28436 1 12533 17576 21517 9726 25151 13722 1 15934 1 17488 1 C11 H Cl3 O S3 14920 22672 21424 19582 17705 19156 22183 23725 18455 18464 1 20986 19184 17520 18298 19293 19203 18587 20369 17165 18060 18271 17666 19377 16629 174.1255@7.426001 195938 1 147386 71131 18317 24872 1 1 58910 1 251100 58049 212555 253873 197232 159599 1 1 1 1 35484 1 1 73113 1 Esi-0.86199975 :6 16886 19900 25251 25066 22312 22801 21537 28844 23038 21893 1 25692 24669 20895 26161 19532 18057 1 24584 20833 25420 21297 28457 1 27564 > limit Esi-0.84300023 27135 31054 30879 28485 31371 29931 32800 32185 29662 30290 1 33105 32654 32211 32333 30797 26654 14957 32526 30365 32203 34193 31674 14952 28457 370.2359@7.4528875 1 1 1 1 1 119768 1 1 23916 1 1 23465 1 1 1 57641 47760 1 42248 26332 1 18653 1 41632 1 > limit Esi-0.6680001 33845 32903 33221 36909 30418 33643 30978 31245 9511 28797 218112 28812 32387 51402 50651 48316 118284 44028 29857 36672 36778 33448 36930 38307 33486 C9 H18 N10 O2 43701 40971 46464 44561 44166 42935 45482 39774 27128 43989 40473 51462 49166 46543 45168 46495 56357 47225 49878 25209 59889 51755 53460 40154 43298 388.1201@0.9639998 12133 1 12311 11619 1 12162 1 1 1 1 1 16408 8993 1 29248 9229 1 8243 9284 1 1 1 1 16383 1 370.2349@8.406999 38640 1 20278 37115 1 130416 1 73433 48354 1 1 17838 9598 1 1 38818 71810 23511 1 1 1 1 1 18073 1 C21 H2 N4 O14 S2 17491 28369 19581 19600 14220 23985 21599 21285 20356 21666 1 16444 19971 23006 21570 22470 16814 7768 22000 17560 18258 19319 19691 8813 15222 C7 H12 O4 26499 1 11281 21828 1 33702 9541 15580 14953 1 1 10928 13313 8931 11338 18151 9242 1 16730 12475 1 9816 1 9582 10485 533.9082@0.887 1 21814 12021 1 9927 25444 13993 22113 21431 29800 1 1 11838 23828 12797 12068 6684 1 19460 1 9716 10905 21074 1 1 C5 H5 N4 O3 20067 30149 29325 23087 1 26383 9906 25436 25625 23342 1 21339 22600 21577 26730 22184 21887 34725 25761 13451 12764 24467 22290 32192 26912 C14 H12 N2 O S 12938 13566 11207 12697 10201 21970 13456 13196 19397 14190 1 1 12187 15967 1 23788 14017 1 17473 14473 15293 19270 12836 1 10843 326.2087@7.653 51600 1 20503 28935 1 34394 1 26140 1 1 1 20749 36491 1 26726 21430 1 1 36770 30392 1 1 1 35437 1 170.0941@7.925 1 1 1 6950 1 32192 1 1 1 1 1 1 1 1 1 1 9173 16840 1 1 1 1 1 10178 1 C4 H4 N2 O2 S 36408 27432 39840 34054 28479 31196 27897 33066 24726 27634 1 24267 31126 31114 33496 22080 30433 27499 29019 36197 27725 29248 35106 25145 30884 Esi-0.89900005 1 18698 18861 13426 14401 18717 17906 22942 17522 19686 1 9052 17642 18246 17208 13711 16349 1 23141 11429 14411 14296 21220 1 16605 Esi-13.490998 34258 1 36581 14699 35426 7818 1 1 29144 1 13001 1 25956 24123 31514 26048 18572 33241 22992 1 1 1 1 82661 1 C22 H44 N11 O2 1 1 9099 13061 1 45653 65205 11458 33364 25273 1 1 8250 1 10176 18107 22621 18494 13472 1 7599 14637 7279 1 9378 C37 H4 Cl2 N3 O2 S4 43765 56907 47921 42391 42495 53003 49249 52839 47742 49769 1 43994 47432 52061 51636 49401 43094 35710 52977 47459 44595 45049 47875 35485 45808 354.2393@8.529 49152 1 23863 1 1 72520 1 1 1 1 1 1 1 1 1 18310 25591 1 38242 1 1 1 1 1 1 C3 H4 N O2 S 20602 32678 24883 22410 24814 29181 28556 25381 33766 29557 1 20089 29466 29877 30282 19858 24467 1 29195 20871 24912 27167 26258 1 25237 573.1533@0.933 28764 1 13142 1 1 32070 1 14151 1 1 1 1 11876 1 1 6342 7197 1 10098 1 1 1 1 1 1 C4 H2 N O S2 Esi-13.264784 216403 345342 85435 142431 147792 34578 43842 42403 71112 14830 1 113210 1 26895 118640 131932 72475 113127 148380 134062 146134 70151 161335 131924 200841 C5 H9 N7 O2 Esi-1.8220001 1 22164 26775 1 12636 16705 19294 19001 1 13407 1 1 1 27998 18800 16748 16836 16575 23314 27077 18422 29621 44565 19600 35440 Esi-0.8500002 :6 13578 15119 25674 24845 14779 19651 20244 23290 29122 12042 1 25574 25836 17085 22201 16036 13324 1 14449 14861 26544 22255 25320 1 37138 C29 H39 N28 O3 15495 21713 26352 27596 19940 22727 22633 24855 18670 18800 1 24704 22867 20457 21349 18782 19308 1 19434 23539 18973 22368 21712 1 17701 Esi-0.8700001 12184 21258 18094 17841 13882 19730 18004 16723 16888 16828 1 17004 14737 16482 14163 12491 15630 19076 14175 14142 12665 14376 16239 17337 11672 C30 H44 N S Esi-12.949001 8831 1 16900 15933 9040 139803 10455 13259 45240 28325 1 1 17184 1 19981 12535 40264 8505 16905 1 1 10505 7153 1 1 259.9218@0.824 1 1 1 1 1 6284 1 1 7151 1 1 6498 1 1 1 1 1 1 1 1 1 1 6454 1 5898 C22 H21 N O17 Esi-13.819333 34008 31456 37994 52788 1 48920 23012 36520 60232 21322 1 1 35547 1 36482 34763 38086 36475 43765 26425 36191 40981 24204 47696 41506 > limit Esi-0.8419998 :22 21996 25025 25710 25047 25017 23458 24745 29845 27427 25890 1 24956 23723 27326 26808 26969 27632 19711 28814 23196 22126 22237 27272 19631 19977 95.9875@0.946 33354 1 1 1 1 22849 1 8191 14466 1 1 1 1 17796 1 12048 1 1 7361 1 14441 10551 1 1 8497 C29 H65 N14 O 11251 13040 9659 9672 12112 11449 11657 1 1 10151 1 11339 9520 10129 8410 8626 10598 17836 9208 10344 1 9687 1 15298 1 > limit Esi-0.8419998 :23 25215 27080 29642 26194 23824 25299 23562 28579 29136 25421 1 31031 26338 28581 29510 28104 25504 15584 26172 24856 29247 27297 28640 15674 29596 C29 H9 Cl3 N2 O5 S4 15065 20005 19180 17801 14715 18038 14297 19956 20505 17267 1 14459 19973 14758 24179 16075 15269 1 16591 13565 19648 17936 20145 1 19660 C22 H20 N4 O4 1 14401 23314 1 10537 20922 17893 21374 7257 7548 1 5356 16752 23231 10329 17078 12880 7420 21053 9595 9390 26369 28080 7479 31925 C16 H24 N3 O18 55837 13121 20176 14042 10788 16790 15577 58827 18344 19106 15945 29773 17346 18089 11396 15741 19367 19154 30482 15820 57390 17762 14854 17323 140608 > limit Esi-0.8419998 :24 22639 24142 21693 19677 22232 20319 23391 19280 16418 21380 1 16052 19627 23466 21057 25178 26669 13988 22678 21227 21214 22855 19144 15304 15210 > limit Esi-0.84600013 :3 26333 22956 28923 26807 24700 31491 27925 28365 26285 27264 1 28696 29429 30565 27011 27510 22210 9994 29906 26001 26279 27733 28666 7045 29906 > limit Esi-0.84600013 :4 25176 29092 31746 29040 29710 30723 30184 33325 26270 30280 1 33369 29521 30974 30785 30185 28058 13052 31373 29329 29797 27759 31865 11698 26383 C20 H25 O4 27461 25272 26345 28178 22619 28106 25211 28204 25630 25750 19712 24611 27041 24681 25797 28998 31736 33340 30507 36438 27336 29199 30318 26363 36544 C12 H12 N5 O11 S 21896 29783 24548 14827 22951 29904 27756 24610 33740 33549 1 1 20684 35455 24519 27811 21193 1 24191 18166 28814 26473 29570 1 25584 Esi-0.859 10056 16024 18214 18742 16342 18181 15305 23778 22595 19152 1 24631 21010 16640 20041 17309 14131 1 18280 14443 20526 17992 20060 1 26998 Esi-0.86300015 :9 12921 16429 16946 16927 16127 14916 16411 16060 14499 14438 1 16413 15803 18196 13946 16249 14391 7070 15326 14547 14680 14566 13249 8009 14153 Esi-0.86199975 :7 19780 28407 26651 27872 24110 26141 25362 29603 27443 28456 1 26029 26454 26188 26482 25509 20789 13101 28028 22017 24552 25761 28449 12893 26399 326.1915@13.386:1 1 1 1 15989 1 46561 1 1 41123 1 1 1 1 1 1 1 29939 1 1 1 1 1 1 1 1 312.2297@10.015 62156 1 10956 1 1 79191 1 24213 1 1 1 1 44672 8035 1 1 1 1 1 1 1 1 1 29643 1 1034.9939@2.48 1 1 1 1 1 11202 1 12052 1 1 7632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H24 N22 O12 1 21036 13277 1 12163 26201 18634 25533 18890 26874 1 1 14141 32345 19469 21505 12368 1 33142 7725 15612 19334 25106 1 18521 C14 H2 N2 S3 14109 24683 17615 14846 15241 25855 18909 21508 22482 20044 1 11794 18850 21701 21637 16989 14726 1 22783 13443 16241 16483 19709 1 15415 Esi-0.86700004 :11 21800 26387 29064 31622 25519 27898 25228 30520 27874 27466 1 28306 27113 23368 26094 25130 21718 8572 27551 24186 24609 24239 27518 8972 25073 Esi-0.84799975 :3 22654 32031 24290 26465 26429 33295 22628 29730 30990 26319 1 27114 28334 26819 24585 26979 21203 11343 30470 27258 23805 28584 32105 9001 27567 C17 H24 N14 O9 Esi-11.2960005 62138 1 32845 36272 1 46122 1 41094 21825 1 1 18249 41360 14107 17460 23984 29671 14728 32006 17255 1 18544 1 26629 1 232.0726@1.2279999 29968 15618 6329 1 1 8742 6687 7248 6326 1 1 1 1 1 1 9285 1 1 5961 11426 8062 12786 10392 1 1 > limit Esi-0.84300023 :1 11794 10745 12532 1 12208 13829 11002 9592 10749 11026 1 1 1 13676 10739 12831 11766 30755 12350 12083 10762 12817 10620 29164 1 C8 H11 N3 O2 Esi-13.627002 11059 1 13837 17340 16949 16505 17589 17526 1 17745 1 17787 18317 13682 13885 21197 22206 13421 15873 18679 19136 15316 20251 11189 13119 Esi-0.86700004 :12 17782 27122 21490 22487 20174 19485 22559 19767 14837 21524 1 20373 15421 19610 20763 17658 19077 9800 20695 25847 14680 17676 21254 13164 14303 > limit Esi-0.842 :1 26755 36760 28884 31147 30728 30373 28713 25444 1 33671 1 1 27883 29921 1 32051 32741 35599 25642 24725 26033 27327 28379 32914 1 C6 H2 N S5 14750 19001 27450 22910 20822 23350 21250 29059 27941 19201 1 27980 22895 18001 26096 19216 14623 1 21088 17907 25365 21520 27546 1 27962 C52 H104 N8 S 22861 33067 26095 26069 20134 29705 26310 25699 22464 25592 1 21322 25950 30311 19794 21509 23034 12651 29117 27918 21692 24620 21155 14205 17891 426.3702@13.561999 1 1 1 1 1 25054 11368 10558 26448 6675 1 1 1 1 1 1 27172 1 1 1 1 1 1 1 1 983.9959@12.38 1 1 1 1 1 17306 1 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H Cl3 N O S5 18456 28447 30084 27691 22869 25903 25077 31200 23461 27899 1 25994 24711 22347 26876 23353 22712 10716 28076 20778 21866 21940 24222 12155 22974 229.056@1.2200001 10531 1 1 1 1 7713 1 1 1 1 1 1 1 1 1 1 12353 29997 8097 1 1 1 1 6844 1 C19 H24 N2 O22 Esi-11.5 43997 29030 35327 28928 30423 47994 29966 34651 32354 25728 31511 31395 41138 32947 33940 41110 37350 32471 47950 43039 36365 35420 44540 36139 18219 Esi-0.88299996 :10 21577 22319 23574 21353 19914 20511 22313 21200 17627 23120 1 22646 19778 22049 19263 22513 19604 33198 17911 24365 18300 18844 18665 30323 18367 C14 H14 Cl N4 O3 13285 23164 20045 16966 25714 20782 25930 19581 14801 23533 1 17299 16948 19093 28956 31206 11476 23743 19587 18652 21714 20988 22626 20241 17177 C22 H30 N2 O22 29588 1 15059 21313 1 23209 12772 22494 18623 13451 1 15638 23053 19317 12019 16851 22020 17374 29087 16948 13835 22008 15464 16718 18628 > limit Esi-0.8419998 :25 23291 25667 17062 17417 18198 21936 21028 14259 15117 21873 1 16206 16704 21961 20475 23018 23709 27845 20659 21859 19691 19031 15111 26849 13152 C28 H31 N5 O29 27809 54131 24850 76276 48709 48155 17601 77264 13295 31605 31494 25781 33725 33607 52065 27144 67394 36597 38671 34869 34437 53874 30823 52872 72310 Esi-0.86700004 :13 20198 27380 26987 27120 21401 24504 24531 26183 20180 24608 1 25046 22476 22969 20773 21489 22783 16294 26077 24176 19058 24321 23552 15687 20989 164.0683@1.0970001 46516 11113 1 1 11227 11905 1 1 1 1 1 1 10707 1 10247 10401 1 13426 1 1 16155 1 1 13816 9694 Esi-0.86499983 :14 11638 12288 22636 21730 15377 17227 14454 25129 21282 16346 1 19091 18774 15778 21463 14209 13342 1 16056 12904 16432 15727 23972 1 22576 C10 H5 Cl3 N2 O S4 10984 15932 16267 16046 9023 12454 12676 17830 9167 14822 1 13700 14365 12682 15605 11556 8858 9647 14045 14617 10799 10121 17880 13045 16323 C25 H3 O3 S 12024 21145 18419 11355 17367 24717 17764 25131 25674 22369 1 14593 15853 24171 17533 15996 17574 1 31112 14828 20302 19059 22017 1 26360 Esi-0.78400016 :1 19196 19065 16230 15707 19564 17531 16627 16916 15838 16839 1 28702 19724 19102 17125 16636 17571 1 31084 19635 22455 21240 24106 1 29052 > limit Esi-0.84199995 :2 30164 32906 30075 31681 26809 33540 26508 29638 33186 27473 1 27556 30389 29293 37023 38001 28281 1 32346 29587 38050 32521 32786 1 34065 Esi-0.8460001 :1 15512 16326 21549 17397 19051 21597 24772 25827 25917 16623 1 26264 19154 20398 23693 20294 14121 1 20201 19522 24787 21177 28112 1 27511 Esi-0.8419998 :11 24535 29895 31757 28540 27800 30207 25458 25738 28175 28528 1 30354 31820 28264 29412 30262 24171 23690 29019 29823 24295 27677 26420 23250 23111 C12 H2 O9 S 20347 39218 28899 26924 43264 25825 38382 32236 23499 32905 1 28049 20866 23129 24549 24296 25313 30663 25987 35838 25134 23227 25629 30156 16957 220.0878@1.276 1 1 18571 1 1 32817 1 1 1 1 1 1 12309 15827 1 1 12409 1 1 1 1 9764 1 1 1 Esi-12.342999 77047 84263 104621 56347 143764 71939 70814 98184 94488 99119 83757 80967 37758 54306 63817 46718 69862 36036 114567 124681 119119 78659 100426 79140 117503 C26 H2 O20 S 18978 26543 19092 20953 15645 24303 20018 19784 18946 21292 1 18876 18546 26308 19337 22978 17730 11562 24488 20551 16777 18198 18934 11234 13270 Esi-0.8710001 :4 20612 26629 22597 21098 20981 21547 25608 22418 17926 25587 1 20460 20538 21784 20478 22652 20174 30917 20782 21045 16100 18864 20668 31199 14590 352.2242@8.201333 1 1 1 17112 1 18549 1 1 1 1 1 1 1 1 1 1 1 31102 1 1 1 1 1 1 1 C59 H11 N12 O7 26495 21113 14681 25800 13016 16405 20997 17111 6167 17013 1 17255 11304 15421 20985 13211 17894 1 28621 27252 7633 12917 16639 1 12946 C16 H N O13 S2 8499 16382 18102 14401 15901 16609 13677 23199 20531 15738 1 21637 18665 12746 16587 13515 12323 1 25366 10468 19286 16343 20936 1 27899 C4 H4 N2 O6 S Esi-1.0739999 32302 82986 84965 46522 59625 116267 86804 115693 79254 93225 110157 91977 107596 69181 80540 56549 140602 1 149238 74930 108535 126604 107338 1 128315 649.3192@8.9609995 9846 1 9116 16221 1 20022 1 31186 21938 1 1 8261 6924 18620 1 9000 27359 16775 20146 1 1 8399 1 7367 1 509.3572@13.416 1 1 1 42571 1 85171 36722 19141 92713 32432 1 1 1 1 15983 1 31472 1 1 1 1 1 1 1 1 C3 H4 O3 Esi-0.9279997 19741 18574 19523 16558 20463 18342 18258 18152 15937 20579 1 15986 16881 23836 17193 26170 1 17116 15559 12775 24612 23547 20791 18003 23240 C4 H8 N3 O2 S 21349 34918 44107 31385 20213 31641 28463 35947 22329 24430 1 19632 28390 22292 28906 32003 31341 16331 32614 25612 29446 20312 25699 18155 25103 C33 H2 Cl3 N4 O S3 16863 15542 14835 13891 14938 16413 16161 16306 13541 15559 1 14585 15353 15170 16756 13690 14483 10433 15180 14521 16528 14447 12924 8751 13412 C36 H36 N6 O24 S 8709 20144 14735 12021 1 18192 16287 19614 1 19880 1 1 1 19321 17991 13827 11980 1 24824 14334 8277 13304 19826 1 13450 C14 H22 O2 Esi-11.350002 33879 19925 22154 16912 16838 33523 23946 21563 31669 19768 16876 27714 21097 13560 20254 23285 28055 25479 24667 22831 21240 20042 19552 31578 18288 > limit Esi-0.8419998 :26 23721 23796 22595 22710 20097 19060 20249 22237 19346 22424 1 18552 17298 21975 21225 23208 20709 18906 22179 18951 18967 20925 18970 18460 17827 C14 H15 N2 S2 8724 15266 8531 6820 13957 7744 18410 8067 7843 12241 1 14732 9330 11019 21409 39017 7058 24598 11537 12188 21448 20214 15710 24064 11678 C25 H24 N8 O21 Esi-13.362 1 1 12076 25326 1 11654 17152 16496 29010 18919 1 1 13056 17962 25115 12850 23054 17796 15629 1 1 13763 16508 1 13927 402.9319@13.983001 1 1 1 1 1 21240 9239 1 13584 1 1 36674 1 1 1 10323 9974 1 1 1 1 1 1 1 1 C14 H2 N2 O9 S2 15691 31562 18454 16491 14454 24504 21018 19226 23399 24376 1 10512 21204 24006 21922 12621 14872 1 25888 15758 15089 17547 19051 1 13800 322.012@12.947 1 1 1 1 1 51351 1 1 13550 1 1 1 1 1 1 1 14380 1 1 1 1 1 1 1 1 C51 H2 N2 O3 8045 12885 120712 116349 5771 10665 7523 132300 163711 137053 1 290285 160809 109370 120985 156319 8459 24858 6149 152784 201406 6550 138670 21652 317762 334.9446@12.955249 1 99152 39614 1 1 11264 1 25692 24272 23719 1 1 1 1 33779 46329 10581 1 61782 22058 1 1 87532 1 1 Esi-0.9459998 :1 27885 116399 117767 128701 100118 96982 108569 113537 53110 117473 1 106651 93745 21768 116202 72748 96286 101471 117824 109655 62869 86678 109036 119774 16971 350.2094@7.356 1 1 1 11334 1 11919 1 1 32470 1 1 11454 1 24576 1 10950 9634 20285 8224 1 13914 1 1 12197 1 C20 H25 N8 O3 8707 27652 21592 12183 11713 13591 22783 18962 25422 19865 1 11568 1 14991 28924 11018 1 20278 21630 1 17090 31025 14376 10431 15663 C17 H N2 O10 S2 1 12446 14604 10594 12092 12395 9993 18289 17514 11370 1 19026 15384 10539 12859 10624 9622 1 19816 9995 16917 14762 17536 1 26844 579.8749@11.544999 10185 1 1 1 1 8481 1 24737 104662 1 1 33915 1 1 1 1 28341 1 1 1 1 29923 1 1 1 607.3471@9.608001 17865 1 24882 39559 1 85276 1 96807 10297 1 1 9632 32837 17958 1 25492 59081 45269 53833 1 1 1 1 8929 1 347.0615@1.2209998 28467 1 24613 1 1 21765 1 6652 13017 1 1 10419 15851 9664 17048 10408 20045 1 12493 1 1 10134 11558 1 1 665.4241@12.28 1 1 1 13708 1 67795 1 31748 134804 1 1 11861 1 21523 1 12685 187576 31091 32121 1 1 1 1 1 1 Esi-0.8939998 33218 16072 11907 17083 14898 13915 16981 13790 11273 13887 1 20656 16712 12044 14331 15561 18049 1 13851 17539 12531 11218 9381 1 9916 135.0794@12.930307 14945 1 13235 5682 1 133683 22468 23895 19674 25954 1 1 13299 1 18112 5682 14576 1 10021 1 1 1 1 1 1 C4 H8 O3 Esi-6.9499984 9657 10095 11998 12237 9859 7834 9298 10319 10371 11940 11973 12469 11476 12348 12197 9984 11091 10420 12851 8889 9578 10205 15020 11237 8125 C7 H10 N3 O5 Esi-1.281 14264 1 1 1 11318 18639 13054 15926 20886 15618 1 17676 1 24926 23015 26383 1 14714 31082 20347 1 31149 37441 17547 34659 C4 H9 N O3 S 14923 16803 1 16564 1 15306 14004 12877 33535 17559 1 18045 13270 18542 14347 1 12758 18643 19774 16139 1 12753 1 15561 10796 C21 H15 N8 O12 37749 1 1 36654 1 29601 49013 39695 50457 48763 1 19484 35871 30392 27483 28148 26171 30357 29342 33873 1 40344 24688 28039 61163 C16 H23 N7 O2 8642 1 13813 25121 1 25346 21355 15498 38506 14268 1 1 15256 1 21587 14758 29111 15077 14517 1 1 11716 1 1 1 C46 H99 N13 O4 27666 31187 28080 25075 24068 27052 27220 26760 28878 27647 1 25317 25060 25874 19198 27884 22754 19376 29362 25931 24268 23571 24975 1 24114 C35 H75 N12 14423 15472 14147 15693 14342 15624 13186 14287 10742 16094 1 12899 13394 15715 15204 15051 14203 10321 13153 11863 12120 13848 12027 9213 10700 C16 H24 N3 O18 Esi-10.910999 30606 17987 32950 6259 11928 33617 10486 7030 31371 9192 7257 10418 7143 14084 33875 9903 13638 12848 24904 11128 33294 11398 9536 12100 38394 Esi-0.9430001 7920 11114 9761 6695 10640 13303 11636 13952 19011 12107 1 9595 14155 11841 11826 13073 11714 1 20853 8584 17870 14249 14397 1 24722 C31 H41 N16 O21 16968 13313 20424 14711 14571 30327 16927 20119 32029 16601 1 12421 15319 12897 12425 13773 33859 30178 22172 36413 1 25171 26540 22519 23601 370.1812@7.0299993 11097 1 9611 1 1 26454 1 1 21888 16932 1 21720 1 1 32747 1 12864 24317 19816 1 9298 1 9371 10322 11916 384.2146@7.368 1 1 1 1 1 18954 1 1 1 1 1 18229 1 1 1 21214 23644 21959 18601 1 1 20410 1 1 1 188.1051@5.9879994 1 1 1 9672 1 28283 1 13509 17508 1 1 1 1 9011 1 19706 13819 1 10005 1 1 7578 1 1 1 C39 H71 N3 23348 28163 28853 29898 24551 24531 28225 26407 20560 25036 1 28156 20656 20489 24528 24980 24215 19848 22801 26557 20761 23555 20284 20709 17662 C20 H4 N O7 29639 36723 28996 29955 30935 38352 35019 37848 30094 37368 1 24633 29929 32268 29439 37540 32521 1 44490 27979 34410 36450 34910 1 37044 > limit Esi-0.8419998 :27 24538 26032 24985 25016 24185 21598 23148 25498 21603 24820 1 17190 22996 22233 30130 28798 27361 16575 22879 27690 25869 27360 23255 15307 11312 C11 H22 O3 1 200536 1 49879 1 190392 1 40992 28742 1 27787 21588 59225 24578 132245 184774 42903 26348 24703 1 1 133474 28503 133243 1 C28 H61 N17 19469 23227 22389 23546 20973 19547 20794 22257 20294 21800 1 21716 20257 21473 22050 22112 18232 12971 19574 24130 20853 22954 18254 13781 18036 352.2244@10.091001 61114 1 24765 1 1 47159 1 31519 1 1 1 15324 20463 1 1 22968 1 1 40964 21467 1 36966 1 25143 1 C17 H15 N9 O S 7340 11757 10829 6143 15043 9824 15117 8060 11709 11842 1 8270 10618 13837 15880 30979 1 21966 8806 11513 28092 20629 12794 14762 14447 C35 H9 Cl2 O16 S3 25364 29461 27920 28313 28884 27392 27652 25312 25298 29899 1 27403 26323 30210 29961 30642 30440 10644 26294 27748 24736 29424 22121 9297 18474 C30 H40 N25 O6 S 17194 16306 19053 15612 18394 17752 19360 17123 15061 19669 1 17327 15708 18456 15410 18920 20595 7433 18032 19772 14942 19743 14506 6850 14046 Esi-0.8710001 :5 18165 23644 20619 20796 18025 20062 24266 20514 12716 19982 1 17812 16655 19135 19623 18684 19059 27933 22005 22580 13157 16111 16922 27102 15512 > limit Esi-0.84199995 :3 13326 12632 11120 8202 11830 11289 13809 8291 6379 14443 1 7696 7131 13042 7450 11800 14540 25863 9225 12965 8241 8352 1 25776 1 214.0223@13.025001 1 1 1 23042 1 52513 22036 36248 25914 1 1 12153 1 1 21062 19489 28472 1 1 1 1 1 1 1 1 C17 H26 N2 O19 S 27380 20884 31038 23478 25160 27994 20849 28090 17358 22404 16599 15361 24237 14646 17681 23768 27048 25536 31407 29336 26323 19434 26370 21246 23037 C25 H20 N12 O17 Esi-11.905 77459 46038 99588 102142 74890 154674 70145 97369 136614 96714 88101 52689 102766 114524 98348 100565 107636 98981 110813 66379 24665 37590 77355 76010 63562 Esi-0.9829999 42440 26075 29933 45043 29896 26600 27257 27210 1 25125 1 60742 29307 20380 27286 27004 36293 1 26382 36525 24739 30644 22434 1 26094 246.0796@1.255 18702 12071 16018 1 1 12599 1 1 10049 1 1 8098 1 8834 1 16283 1 7300 9554 14065 1 17191 20504 1 7970 Esi-0.86700004 :14 14858 20649 22784 22685 17028 17798 18859 21879 16845 20264 1 19544 19004 19960 17592 19220 15045 8729 18884 18402 15846 16913 20711 8261 16173 > limit Esi-0.8409998 :8 20660 21198 19903 18392 22315 18730 19990 13894 16821 21646 1 15422 16799 19503 18795 21858 22122 10715 20794 22222 21579 20773 17237 11316 14607 C33 H59 N16 9163 10924 10802 9033 10063 10022 10375 9032 6853 8988 1 8626 7524 8414 8098 8027 8987 24746 7694 10170 6965 8680 1 23125 6796 C22 H8 Cl3 N6 O6 S3 20722 24307 20992 20389 18369 21871 19364 20292 20646 19447 1 17829 22369 22095 25068 20166 15833 14669 22015 20174 19139 18538 23905 17314 22325 Esi-0.86599994 :4 13691 21635 19882 20281 16551 19683 20753 22585 12961 17724 1 17420 15526 19780 18305 14398 15603 8606 17581 22716 14335 15491 18694 10111 13431 261.0305@1.2320001 28531 9786 1 6182 5979 9422 8445 7059 1 6734 1 7699 6608 7687 1 1 1 1 8113 9761 1 7032 6023 7200 8077 C8 H15 N O4 1 6971 17862 10831 1 13718 6132 16834 9587 6277 1 10305 14139 18220 6144 26757 1 17226 13205 10619 11149 17192 13391 12253 17929 C27 H25 N6 O20 S Esi-12.032001 236506 136341 293140 292983 54944 139603 254444 140449 216154 253769 123456 264154 239219 151116 37279 258861 281893 143772 37512 207208 136997 370451 358323 297954 159821 C8 H12 N4 O3 Esi-13.631 :1 47706 111621 41792 50989 53757 103699 1 50654 187104 82323 1 67158 39538 27753 49101 60045 195180 65775 34395 51600 71401 81375 51429 32131 72373 C27 H12 Cl3 N6 O4 S5 21656 20924 22517 24049 22915 23080 22080 20501 19415 22344 1 21253 20972 22985 23543 23578 21952 9482 20839 25406 20462 22413 19680 10339 15484 C37 H75 N 12747 16759 26191 28269 17921 20550 18977 26870 25768 17957 1 27807 21516 17358 22192 18660 16952 1 19817 18056 21069 20625 24589 1 25864 > limit Esi-0.8409998 :9 27061 28018 23200 24717 27877 26331 29431 20983 21579 28695 1 22451 23454 25964 27160 27614 29355 25330 24597 27396 27049 27540 20200 23818 15539 C27 H60 N7 O16 S2 22563 22236 15421 14549 23426 18952 22623 16585 14228 23509 1 14721 15807 22673 16899 23761 22190 25989 18861 20831 16035 20244 14135 26525 12780 Esi-0.8700001 :1 19155 23255 23540 24227 19139 18041 22012 20990 16496 21063 1 17621 18756 19005 20936 18925 18537 7733 21391 20044 15288 18263 21000 11134 17805 563.3212@10.572999 1 16084 12544 1 1 28783 15728 11898 9683 15717 1 1 10746 12912 14680 1 9237 22550 22119 19271 1 12581 14725 15140 18947 C3 H5 Cl3 N4 O2 28121 10798 10053 8451 11293 13889 14528 10851 8084 10000 1 7030 11750 10046 9887 12362 11150 1 11791 12554 8011 7171 7640 1 7305 594.4847@13.735 1 1 1 50017 1 288284 54707 56533 169055 52769 1 1 1 1 7970 48019 258884 32662 41727 38928 1 1 47100 1 1 698.8911@0.8409999 6826 10157 1 1 6395 6717 8122 1 1 7294 1 1 1 8309 1 6661 6924 24054 1 6695 1 1 1 30402 1 Esi-0.88500017 :1 16515 12826 11916 20398 13037 13340 13187 10715 1 12385 1 13590 9295 13782 12282 10186 11543 18785 11915 16877 1 11824 12854 25146 9395 C3 H6 O S 1 77114 85487 83334 72368 83535 82062 88969 55639 82046 1 72727 73218 73732 82936 71779 77563 63004 93548 80932 58624 77960 81730 64100 71610 Esi-0.86700004 :15 12658 16334 14041 13044 11243 14952 13226 14054 13200 15724 1 11307 12314 12451 12380 12681 13614 23274 14242 13178 10908 11880 11694 24279 9035 192.0262@1.009 8914 1 37250 1 1 18814 1 39012 1 34391 1 15195 1 35360 38219 20179 1 35963 37780 1 23040 1 42774 32950 1 Esi-0.86700004 :16 21091 27211 26293 24873 25885 24055 26725 28475 24430 23147 1 24114 24370 26318 23998 22630 22327 13476 23430 23655 22392 23783 24151 11549 19829 C3 H13 N6 O S 1 1 15619 11224 1 112043 11503 9535 46956 10287 1 1 12577 1 16356 9517 34577 10570 14765 1 1 1 1 1 1 Esi-0.86599994 :5 19919 23843 19203 19822 18645 21273 22747 18423 12660 21933 1 15931 14221 20205 15024 20087 18997 40527 18127 22200 14941 18928 18041 37008 9625 538.9062@13.985 1 1 1 7861 1 21198 1 8703 16103 1 1 1 1 1 6732 6504 13451 1 1 1 1 12038 1 1 6300 Esi-0.86300015 :10 20010 27614 24825 22559 21734 25214 23806 25241 23804 24201 1 25407 21342 23103 22959 20524 20256 13124 24616 22323 21369 25382 25254 12541 20215 372.0739@10.052001 9671 1 8508 8956 1 10074 1 9625 9562 1 1 7679 7409 9814 1 10003 16205 15572 12017 7014 7695 7187 1 9468 7582 1053.7849@0.842 23509 26740 1 1 22524 24027 26762 1 1 24666 1 14024 1 24078 1 24717 29641 30633 19930 25648 1 1 1 26995 1 C16 H2 N2 O13 S 17645 28114 18838 20076 15753 23856 21894 23131 22706 21541 1 14569 21478 21583 21869 20527 16508 1 24273 17297 16616 15624 18948 7835 14850 C15 H6 N3 O10 1 14448 17629 6865 12635 22057 15034 21002 26825 16545 1 1 15913 20795 16684 12220 8222 1 18802 1 15285 16340 25384 1 19995 C3 H4 O2 Esi-1.229 15172 24848 27799 21915 17157 18163 20398 22346 17397 19597 1 16125 21556 21527 27067 40070 29672 13652 24939 18195 28801 28451 27358 16019 20488 C18 H8 N2 S 11405 18284 18355 15769 15069 11802 19824 14531 9070 19886 1 9409 13719 20086 20095 21706 20147 26118 20104 20419 18764 18627 22725 18570 19180 Esi-0.67099977 72992 69104 75630 72136 76134 75658 75002 77495 72105 76544 11609 70013 76143 69453 78003 74956 18437 87860 76710 80491 83725 77438 81954 86193 63389 C45 H11 N6 O10 38387 34200 17872 73894 73517 62238 35044 60978 68530 57806 32500 31896 27153 35684 32728 28191 19364 30809 25574 28136 78626 39924 39912 26085 25154 C40 H63 N2 O3 19060 19920 17632 20289 18740 24439 20934 21539 22364 18061 17087 18792 18435 23469 20317 22276 32770 27432 29237 27817 26778 28594 27539 25379 26938 160.8761@12.955001 1 1 1 68526 1 12473 1 58106 1 1 1 1 1 1 1 70224 19730 1 113087 1 1 38856 1 1 1 494.0103@0.8590001 1 12922 1 1 1 17365 1 16982 19456 23896 1 1 1 15271 1 1 1 1 10622 1 1 1 17409 1 1 C55 H97 N2 O3 S 20920 20738 18688 18058 17815 19620 1 17279 17330 14093 1 13987 12449 19818 14659 17034 16410 17467 16377 14387 16149 15026 13136 20438 15194 C26 H26 N10 O19 S2 24282 24708 20646 37856 31080 56444 26515 25589 1 25086 25277 34008 20864 37989 24747 1 51473 29022 24795 27685 25941 24955 38468 40222 24293 C28 H43 Cl N18 O 14645 15829 16319 16246 16404 18334 14399 16797 14591 12849 1 15907 16673 16000 17633 15588 13311 1 14621 15396 17641 15807 15915 6132 14427 Esi-0.86499983 :15 13525 19233 19922 18382 16890 18233 18245 19626 18257 16302 1 16823 18704 17373 17160 15336 16361 26572 18368 16219 16078 17494 19316 25586 18394 Esi-0.875 :4 17536 18618 26919 25704 21885 24130 20572 28048 29282 21593 1 26676 25940 21620 23536 22214 16654 1 22616 19148 24390 20537 30587 1 29389 C20 H32 O4 Esi-9.811997 :1 137217 50529 184490 77878 1 271914 14432 130468 75475 39802 1 78618 104515 141089 72516 159948 270701 67769 171477 47305 83407 113610 27618 87735 41863 C9 H12 N4 O2 Esi-13.3569975 16306 18159 22966 37706 18464 48151 36562 37922 58932 28504 61387 18986 26402 17217 34369 31237 54741 28513 26888 14578 14552 25009 22986 14925 13669 > limit Esi-0.8419998 :28 21119 20459 21855 22405 26678 19262 21304 20243 19425 21965 1 22587 26072 22520 25091 22700 23798 12505 22735 23579 24092 26649 23635 9902 19443 C26 H13 Cl2 N3 O20 S4 25499 28279 26619 25530 29572 24228 26730 24792 23806 26372 1 26449 26588 25990 26984 27406 29745 10964 25327 25433 23644 28701 23084 11981 16022 597.3268@8.098 9008 1 8448 16151 1 39965 1 32263 27083 1 1 1 1 25886 1 19965 34831 1 45313 1 1 12694 1 1 1 C45 H2 Cl3 O5 S2 16724 21196 25297 22302 22518 24247 20746 24967 24121 23336 1 22630 24301 25951 22817 23001 18225 13413 22302 22009 24547 21545 22868 12288 21827 350.0749@0.94999987 17609 9472 10748 1 8236 14960 9134 1 21772 1 1 1 12402 10714 1 30154 1 1 1 9373 23629 19983 10466 1 12804 C12 H24 O3 1 32881 13249 18946 10518 8155 8087 1 20298 16819 1 7448 6916 7659 10543 1 10465 7960 11073 1 1 12374 6233 1 1 Esi-0.89200014 :5 21530 29165 22782 29700 16330 23059 24386 21174 15461 28576 1 15826 17497 23128 24443 18634 17254 16147 25184 23439 10341 19112 23169 23854 12647 142.0992@7.7799997 1 1 1 1 1 30378 1 10393 13688 1 1 1 6836 9696 1 11789 18305 8867 17780 1 1 9254 1 1 1 C40 H82 Cl N3 9052 11254 15278 11684 9943 10950 8829 8372 7913 9317 1 8204 8842 10474 8079 9650 7910 15410 10896 9429 9878 10119 10616 15296 6937 C36 H79 N21 O Esi-0.8929998 27982 31358 26495 33112 25426 30067 26266 24605 9584 29779 1 17141 16693 23341 27069 20401 19414 21258 29420 29859 10485 20024 26012 29519 16780 C10 H7 Cl3 N O3 S4 13420 14837 13917 14125 11294 17000 17483 13018 10688 17006 1 8947 8796 14325 13041 12750 7285 7980 19157 11460 1 9519 11004 12962 1 C9 H18 O14 11133 19333 15763 9355 17123 18999 17736 16281 17221 12320 1 15302 16138 13935 12141 14768 14644 26834 19441 15596 17253 15937 19613 24276 12484 214.975@0.9049998 1 13070 15767 15468 1 14264 10830 12689 12018 1 1 1 1 11560 14025 8047 11084 1 10589 11100 9818 1 9626 1 12378 266.9574@13.981001 1 1 1 9333 122167 29493 1 1 17844 1 1 1 17989 1 11526 1 8145 1 1 1 16027 1 1 1 120569 C16 H32 N7 O5 25459 17374 18685 19835 20309 21979 19300 18768 17922 18747 18101 20741 20883 23601 19443 18351 22587 27420 24871 20388 25556 24083 23729 21994 19819 312.1757@12.945 1 1 1 1 1 23683 1 1 19422 1 1 1 1 1 1 1 6351 1 1 1 1 1 1 1 1 C30 H22 N3 O17 64016 50117 55329 48101 37755 85183 52862 61914 87334 53581 30756 54675 60726 41056 55351 57377 65979 55950 57371 32640 52131 50459 42386 41106 45140 979.9844@3.108 1 1 1 1 1 25492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29073 1 C38 H81 N2 O2 15986 19318 21171 17751 15555 16836 17260 21115 16294 16966 1 16861 16013 17622 17120 16663 15430 8533 17715 19528 16157 17867 19775 7899 18766 C6 H12 O3 20533 144527 131134 21017 15295 21028 7137 19573 39397 29913 1 19875 22706 13885 17858 19658 26215 13985 19921 15573 17101 126885 95390 14515 1 C9 H16 O4 Esi-13.627999 12733 9584 18756 51459 19711 78080 34327 33314 83975 28225 1 28663 24467 19430 30602 36761 49285 23023 24864 22679 18936 31756 27375 13605 20362 C36 H17 N16 O15 Esi-12.147999 69350 59119 60415 75242 62035 34767 60142 69101 54485 68573 65024 43932 84272 60783 71555 67164 74439 77136 69527 71851 81068 85480 77620 78888 71529 C8 H5 Cl3 O10 S 7484 11575 14121 13611 11719 10932 8137 15113 12610 14511 1 10596 8263 9367 14074 10373 10121 1 11638 9274 11619 8372 10511 1 15020 C9 H11 N O2 Esi-3.2050004 59046 104990 90181 109290 78393 74088 100734 104476 1 65680 1 1 1 111938 1 1 1 194577 1 128164 155538 117838 114917 117626 1 C29 H8 Cl3 N3 O24 S 25871 27499 24153 25040 29009 24726 28449 23074 21384 28818 1 24754 23508 28294 25209 29016 26412 12562 25066 26752 23476 27457 18838 12533 15582 301.9187@0.8660001 27953 18824 14969 19139 12053 17040 17194 1 1 17332 1 1 1 14215 16704 1 1 1 23415 12699 1 1 1 15291 9118 Esi-0.86499983 :16 20263 25098 20044 19950 21164 19259 23573 17982 13809 18709 1 17081 18483 19006 18458 17026 18371 29988 20267 19736 15877 15917 16551 31250 15055 Esi-0.8719998 :6 20102 29630 28902 26230 24782 28991 25724 28285 25425 25481 1 25055 26395 24477 25713 25441 23581 25888 26948 24041 18833 22836 22906 27230 21478 > limit Esi-0.8419998 :29 17319 16419 14893 15248 12817 18427 14192 11418 12879 15058 1 10006 11422 15719 14056 16005 18292 37619 15043 13812 13964 13750 15769 39544 13186 > limit Esi-0.842 :2 28035 33612 27655 29678 28096 26811 29322 26397 24783 29389 1 1 1 29195 30739 31853 31914 31132 28454 25448 1 28164 1 29235 22170 C42 H5 O6 14492 20861 14379 14802 20208 14991 21290 12131 13904 15660 1 21986 12837 12733 18690 28761 8644 1 18306 14264 20992 17034 12776 1 13753 Esi-0.88300014 8368 17602 13224 1 9347 20957 17132 24486 22099 26037 1 1 11258 20266 11928 9194 1 1 17287 1 7968 9103 24725 1 7754 591.8665@0.8859999 1 20195 12769 1 7149 20217 14028 17045 19327 26363 1 1 10276 22772 10718 10633 1 1 16101 1 7258 8388 17450 1 1 > limit Esi-0.8460001 :2 22096 23771 28611 24698 24920 26084 20877 29664 25968 24593 1 25493 28521 25917 25243 26700 23191 1 26056 22417 24806 27811 27487 1 23721 C45 H81 N2 5671 8409 7649 7196 5895 6211 5936 8403 6571 6725 1 6913 6743 6297 7762 5985 5664 10051 6509 6936 6998 5904 7478 9275 7783 1059.7607@0.842 24286 30851 28453 1 28731 31624 24942 1 1 26424 1 1 1 30277 30252 28258 28042 29098 1 27632 1 24759 27300 27815 1 C12 H22 O3 1 20945 27062 10974 86532 34468 43407 1 16975 56142 1 89583 1 29668 1 1 110180 36983 47117 1 1 8141 1 73857 1 C44 H79 N2 O2 13056 13828 15616 12743 13606 15314 11546 12579 9397 12429 1 14648 14114 13507 15335 12092 15158 6778 12431 13214 13528 12743 11527 7039 9921 > limit Esi-0.84700006 :1 23245 30877 26463 29111 27388 28346 28625 25935 26990 26017 1 27199 26885 26427 25393 25780 23105 1 27241 27615 27334 26789 27876 14514 28972 295.0845@0.9150001 1 30276 81100 18251 22472 149745 1 80820 53496 1 1 18872 82514 44815 36120 65475 48425 1 61660 22727 16168 45963 1 1 9611 Esi-0.8729999 :2 17000 20942 19136 17649 18575 20240 18529 18044 16543 19804 1 16788 15326 18822 15759 19174 17799 27194 16653 18193 14675 16045 13897 26826 11128 Esi-0.8710001 :6 1 11546 20548 14076 16480 13858 12617 15904 18590 10548 1 15014 16323 15353 14870 12789 10388 1 15198 1 13613 16816 19205 1 22074 176.1046@5.6710005 8472 1 1 1 1 26913 1 9577 9620 1 1 1 1 1 1 9605 13585 9314 11794 1 1 1 1 1 1 C9 H13 O8 1 14863 9754 26426 10583 7130 12857 10788 9311 7257 1 1 9530 13436 8764 12174 9159 10344 13637 9089 12025 12763 17688 11983 11911 799.423@0.87899995 6277 8488 6492 6760 1 6404 8551 5565 1 7840 1 1 1 7047 1 6845 7187 29393 1 7893 1 5684 1 26623 1 C13 H10 N10 O5 S 11432 16788 14336 8698 15042 19276 16322 13793 13540 12005 1 13069 14846 15039 10912 13226 14592 25105 18054 14608 14938 16891 15540 23517 10535 C29 H51 N18 O10 22770 25447 24229 23533 21967 22672 25695 21768 15987 24106 1 21859 19270 23408 19599 23637 25384 25349 19944 25739 18228 22241 16127 21834 14562 Esi-0.8419998 :12 22041 25488 22658 22079 23486 24481 18901 24721 21096 23249 1 23518 23278 23270 24531 23778 22574 103947 25478 22937 24212 22063 22374 107438 19991 C31 H30 N5 O23 35359 1 23886 27175 1 27905 1 28496 17820 1 1 15544 27599 11292 16046 20560 25099 12536 28749 15747 1 18325 1 20824 1 667.283@11.649001 1 1 1 15253 1 40993 1 20164 36982 1 1 1 14827 1 1 17961 35196 18699 14956 1 1 13659 1 1 1 C8 H5 N3 O3 S3 8930 14974 14906 13209 1 12459 6355 12473 11975 10688 1 10297 10142 11688 13062 10049 11131 29990 9852 7011 1 11550 14328 25787 7987 C28 H50 N14 O17 S 17268 19883 26701 26189 22075 20763 23857 23604 25195 20820 1 26291 24972 23555 23777 22053 20025 1 22468 21747 23480 20693 23497 7287 23454 Esi-0.86199975 :8 18858 18616 27369 20942 19318 24188 22367 27795 23251 19372 1 22051 22002 21517 24212 20015 19328 9114 23957 17695 21893 20607 26261 9160 27212 C40 H54 N3 O21 21173 22628 21311 21907 25045 21470 24402 18350 18974 23458 1 20476 23569 25024 20691 22176 23769 17408 21297 22527 20675 23468 20125 16787 15084 C11 H4 Cl2 N4 O4 S4 12646 19727 16861 16291 21093 14951 17295 21174 16263 17900 1 14787 15230 14562 15909 15124 14883 8686 15353 17063 16469 14573 16674 11659 18249 C6 H10 O4 20833 15865 15710 18406 11095 27942 12991 15146 13692 1 1 17855 14951 11671 17133 18066 15914 13454 16997 20774 29247 13410 1 12563 15203 657.8902@13.344 1 1 1 1 1 6832 1 1 6036 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H Cl3 N O6 S2 6831 13612 17303 9818 13250 17661 9272 17544 22230 14921 1 9663 13475 10599 14635 8838 8163 1 13482 10572 12266 9414 19795 1 19480 C24 H2 O4 S2 10867 28650 16854 14603 13720 24516 20263 17712 23654 19614 1 10783 20443 17847 22965 11065 11496 1 19740 10697 9303 14519 14217 1 10292 C27 H29 N5 O24 S2 69019 1 62774 71490 55035 42156 55282 62951 62042 68203 60442 52361 76384 67604 64585 1 28680 1 64118 90336 72351 68648 93218 54479 64670 607.3463@9.388 18974 1 18227 16133 1 40467 1 34604 10297 1 1 1 18606 18428 1 10050 20774 21197 30066 1 1 1 1 9053 1 699.1058@13.272001 1 1 1 24736 1 29824 1 25625 39384 1 1 1 34855 1 1 1 50352 1 33618 1 1 1 26166 1 1 C4 H5 Cl N O Esi-0.9629999 35057 29124 29652 28862 24593 30081 25326 25034 19548 26131 1 26880 24889 31470 28506 21688 24384 24605 29754 28985 18777 25361 25459 29276 25368 Esi-0.85899997 :5 13367 15705 15315 16113 13593 13324 18768 12813 15080 15006 1 17019 14634 17405 14889 14524 15055 22140 13737 16462 13397 15311 11908 22351 12143 > limit Esi-0.846 :1 19070 17263 22767 23895 23747 22593 1 23181 22816 21706 1 26568 24677 24870 27448 21776 1 8580 25463 24583 26477 25294 25076 1 27887 308.1984@8.753999 25713 1 1 7931 1 10945 1 1 1 1 1 1 11801 1 1 1 1 1 13540 1 1 1 1 9375 1 Esi-0.86599994 :6 18273 19554 20823 16722 13957 16731 14735 17011 12920 16646 1 16654 13822 16094 17417 12870 12702 23186 18115 16740 12739 14738 17001 25833 13674 Esi-0.8439999 :4 23823 27967 25400 25979 28175 28330 25816 26558 24055 27520 1 24348 24489 28486 25252 26120 27411 31263 25005 26235 26435 24536 23384 25070 24400 C44 H34 N19 O2 10548 12346 21851 22916 16832 15852 14341 23709 20292 12862 1 23257 18790 13364 20483 16146 13604 1 15859 12510 20371 17654 21540 1 24275 alpha-Ketoglutaric acid 13995 10920 19427 27644 7912 17211 11156 17316 8405 13982 1 11366 9350 14157 13046 10104 9282 1 12891 12197 1 10738 24050 1 11203 > limit Esi-0.8419998 :30 22643 25853 21750 24312 24004 22179 23749 20421 20836 23221 1 22550 23601 24367 27709 27896 25931 19354 27684 22598 26093 28799 24011 15601 20736 Esi-0.786 41157 29563 26138 45102 42115 25889 43229 25464 26519 29626 1 25838 25328 25436 26671 54016 42800 11096 46100 28608 26475 37806 20741 14272 26300 C3 H4 Cl2 S4 7983 12642 17187 17129 14138 14426 14081 23651 19753 13728 1 17491 16951 13031 16547 12444 11439 1 15008 9355 15474 13581 18573 1 18181 C9 H16 O4 Esi-13.358001 26371 19003 36988 85459 27318 82521 57449 64081 79934 54233 28281 43703 38603 40551 61838 35397 76267 44901 51208 19152 20587 36741 40312 21053 21760 > limit Esi-0.846 :2 1 1 24444 24006 22198 22355 16919 23390 24587 1 1 25328 25649 22892 24110 19397 18399 7329 21482 22300 24166 25595 27253 7449 28143 C16 H4 O19 S2 8174 25811 12298 10690 6282 16858 9968 14874 16055 12771 1 5998 13921 13871 17128 13433 5849 1 17507 8740 8018 9559 10731 1 8387 Esi-0.85799986 :9 15795 16073 24188 21921 17202 20009 15932 26464 21806 14937 1 23810 21656 17407 22148 16579 13629 1 21230 15428 22697 18011 25814 1 28202 C34 H73 N4 13395 14845 26680 26646 17964 20034 18468 28105 22626 17829 1 26511 21583 18704 23280 19244 16907 1 18942 17205 21556 20119 23563 1 26614 Esi-0.874 :4 9419 10955 8898 8728 7255 13148 9859 9278 6408 7929 1 9740 7513 6028 7228 7784 7557 14343 7177 9794 5839 6693 8365 13047 7645 208.0962@12.949 5682 1 11209 7682 1 53137 11517 24014 26079 15395 1 1 13524 1 12178 1 19175 1 22552 1 1 1 1 1 1 > limit Esi-0.8419998 :31 23308 25666 23938 28376 23214 21771 23986 24605 23801 23521 1 24700 22613 26367 24073 27087 21086 12624 25568 22660 25689 25583 25928 12283 24029 466.2558@8.068 21922 7721 1 1 1 9238 1 1 1 1 1 1 1 1 1 1 1 1 1 31968 1 1 1 1 1 C10 H13 O4 12536 13054 18149 12375 11761 13686 14952 9497 14356 9575 1 10772 10988 13754 7492 18344 9251 21789 13579 17314 25386 18651 11920 25724 12076 C14 H8 N4 O 1 19028 18163 16305 10536 19509 7988 21130 18877 8939 1 11428 17826 15277 22123 17779 15257 1 23658 12258 19710 20706 23945 1 19234 Esi-0.84199995 :3 13429 14696 21937 20583 17308 17802 16053 20596 21311 15559 1 24728 19932 19826 21527 19951 16369 1 16951 16601 21163 19562 21899 1 21752 C15 H2 N O9 S 13693 23553 17290 15643 14779 18261 19197 19567 21327 16874 1 11900 18805 20706 19851 15290 14950 1 21131 12626 14806 13781 16938 1 14385 > limit Esi-0.84199995 :4 22958 22953 23794 24283 26874 24363 22189 25699 26735 23068 1 26756 30001 25192 29414 26038 23044 1 23487 24630 28166 27525 27880 1 30787 > limit Esi-0.84300023 :2 21140 23143 23782 25939 20440 21240 25177 25121 23619 21894 1 22299 25580 21336 21136 26024 26764 15833 18836 22100 21152 25862 23430 11809 24381 228.1007@5.539 22343 1 1 10312 1 13617 1 1 1 1 1 1 1 1 1 10629 10503 1 1 1 1 1 1 1 1 622.0155@0.82600015 7549 8192 1 1 7630 7419 9614 1 1 7804 1 1 1 1 1 1 6898 22171 5940 6331 1 6739 1 20768 1 318.2192@10.955001 62982 1 63401 24594 1 100940 1 23771 25963 1 1 12692 224018 24037 1 29768 21356 1 53617 19592 43221 1 1 20832 1 C9 H18 O3 66496 202697 1 21368 1 97914 218384 96706 23153 201303 165005 167993 1 1 1 1 183253 128486 217457 236711 1 209335 222471 37013 1 C24 H46 N23 O2 S3 16032 15820 20735 19121 17045 16002 19270 20075 18636 16338 1 22196 18720 16279 20710 17807 15395 8653 19386 16097 20157 20097 17266 6408 21039 958.9745@3.0204997 1 1 1 1 1 26007 1 1 25794 1 1 1 1 40400 1 1 1 1 1 1 1 1 1 69836 1 C25 H16 N11 O14 1 15434 8247 1 8308 16004 11677 13403 22587 17451 1 1 8391 20072 9134 12539 8857 1 16860 1 11925 11172 14980 1 9547 Esi-0.86400014 :3 13236 16443 22774 22881 17343 19427 18813 22738 19112 15262 1 22056 22130 16264 21741 15169 13166 1 19168 15805 17640 17249 20757 1 22706 > limit Esi-0.845 17913 15307 18786 19925 20812 18264 17557 18226 17244 19959 1 16777 21157 20773 19151 18473 18549 8126 18929 18838 17825 17685 18568 7706 14590 C8 H8 N3 O6 11118 17924 8166 12040 20126 17527 19235 13046 13616 10477 1 17976 11571 24908 11180 11095 1 22853 17424 21969 13005 14352 7586 20368 27167 C20 H14 N13 O13 15375 12346 11446 16839 1 26798 25100 14060 33762 1 18072 1 8609 7926 1 15847 18050 16215 11667 14182 9738 13626 8351 12835 10202 215.0523@0.8970001 26135 1 17781 1 1 15232 1 1 7638 1 1 9461 12938 6560 7443 10670 9159 1 6725 9193 1 1 1 1 1 C50 H104 N9 24273 27382 17228 19521 18852 23204 22708 23191 17191 17077 1 13966 18517 22502 16641 24717 21784 28474 21231 20163 15921 18430 18369 29706 10399 Esi-0.8560002 :7 18206 22579 22897 19642 17856 23986 19584 24506 20899 22065 1 22581 20465 20386 22601 22190 17087 24050 22510 19028 20139 19263 23851 31844 19737 C26 H57 N22 13696 13617 12280 12703 13349 9738 13086 11867 9215 13733 1 11069 11272 10067 9812 12105 14284 28077 11484 10040 12077 10328 10532 28736 8475 Fumaric acid 18904 13792 12967 14492 11053 16141 13096 13035 16035 14823 1 13623 14199 12530 14667 17127 11110 11016 15139 27218 13204 18716 15016 8569 13454 > limit Esi-0.94599986 19384 13305 11464 14928 11467 12700 12835 12787 10274 11185 1 19211 10636 10211 14101 12703 14608 1 23720 16765 12308 13669 11775 1 21870 > limit Esi-0.84700006 :2 12310 13720 9789 8813 11253 11220 13740 9697 1 13217 1 8669 8753 12507 12026 10142 12877 26578 11949 13117 8207 12336 10941 22507 8518 C15 H20 N2 O6 26872 20828 31605 25890 32929 23341 30426 26238 30521 27082 23044 23711 30889 26241 31032 20181 27730 24265 30056 29285 24010 26784 28193 31265 29303 Esi-0.8450001 :1 23979 26737 45551 35779 37279 28494 27812 41312 42593 27661 1 48226 43609 27242 42500 32740 27676 1 35611 25491 43438 37435 44978 10882 50827 C31 H12 Cl3 O25 S2 23551 24840 19951 22374 26439 21952 22750 22501 17493 24032 1 21960 21213 22357 22116 27669 24669 14694 18818 23666 21290 20685 17496 12857 13768 C14 H21 O3 20031 18432 21233 21462 19988 25512 20575 21538 19832 18996 17578 20933 23102 20741 20344 19984 22702 25653 21356 22322 19739 21722 19565 24344 20976 Esi-0.876 16237 14073 17797 17261 13429 13640 15222 15188 12600 13196 1 15236 12991 12422 13030 13659 13609 8682 13758 14534 11052 12138 13044 9076 11762 312.1756@13.98 1 1 1 1 1 17176 1 1 9029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.86499983 :17 12883 13111 12561 12248 13779 14588 14113 13670 9691 13903 1 10651 11124 11356 14372 14347 13829 18308 13656 14418 11529 13521 11128 20088 8824 205.9529@7.3839993 1 1 25080 20104 1 12301 1 1 18570 1 1 1 1 1 1 1 1 18731 28697 1 1 1 1 1 20188 C7 H14 N4 O8 10242 14186 11258 1 11710 14394 14383 11751 11203 9267 1 9311 12221 12514 8050 10064 11935 25515 14495 12467 11706 12499 14424 22478 10440 C20 H32 O3 Esi-11.756 618414 98310 725362 134295 16963 1980743 65127 428177 359460 116147 1 158470 484370 349990 143403 473312 1006254 279694 530304 125650 232929 237234 86482 284524 107842 C35 H40 N26 S3 17412 15705 23775 19068 21132 20486 19919 22698 22450 17182 1 23015 21532 22639 20782 22670 19413 6777 18303 20112 20723 22361 21124 7899 20440 C10 H2 N 24201 29929 30265 29978 28815 31694 24816 35859 10695 32276 1 31405 26795 32411 32014 26717 17713 17041 42000 28368 23290 27038 32388 17221 30563 C17 H6 O17 14024 15994 16373 13087 16628 14759 16093 13329 16573 17247 1 13975 13154 17930 14423 15480 15834 25251 16171 14483 15884 16890 15419 24311 12484 C32 H8 Cl2 N3 O13 S5 16321 17068 19364 20607 16383 21613 19466 23322 23999 18360 1 19693 21105 18595 20490 18738 17352 8633 20673 19607 17643 15134 23869 1 22041 C40 H44 N21 O2 S3 21374 23403 21453 20227 22476 20584 21455 18537 15902 20286 1 21068 19786 25083 20870 24777 24222 13071 23425 21640 18208 21300 17154 10924 13689 C8 H7 N O6 20797 33661 23645 16644 29332 18893 30954 20060 14281 17994 1 19547 16594 21352 21920 16051 15711 15692 27776 27397 20837 21319 20918 13357 25379 C7 H9 Cl N3 S2 26759 29435 27989 26250 26314 24765 26548 24509 27233 24231 21513 22428 25714 27485 23842 24229 22595 22657 23122 22773 24945 27067 24082 23056 22515 C25 H32 N5 O19 S 29536 15494 30964 17971 1 29554 24098 21319 42024 15785 1 16032 18670 22708 26225 21854 28430 30354 32280 25475 18114 26640 14682 15276 17401 C12 H15 N5 O2 Esi-13.358999 :1 16831 20309 34062 59200 18338 69308 41356 48051 26491 34285 13723 28154 29753 16015 38112 35824 52621 26508 29303 12546 18947 28009 28135 15096 13510 C23 H6 N4 O24 S 10380 11415 8465 7858 10842 10462 10009 8717 8219 11167 1 7451 7876 9824 8930 9805 11427 23190 9579 10070 7879 9405 7584 23736 1 Esi-0.81100005 17595 27363 18580 19025 13905 22492 17758 22685 21640 21851 1 14816 19631 22275 22104 23220 15587 1 24976 18307 17919 12632 24061 1 20105 Esi-0.84700006 :2 8681 17411 21407 19902 14669 18599 16207 25333 25190 15002 1 22174 22844 16150 23524 18467 13519 1 20263 14969 22247 16632 24301 1 27294 328.2248@8.204001 27839 1 1 29624 1 45004 1 1 1 1 1 1 1 1 1 24843 24418 1 28665 1 1 25274 1 1 1 Esi-0.866 :1 11511 15982 21091 21565 14062 18017 13913 20796 17930 14756 1 17766 16557 14413 17169 10655 12512 1 17587 13043 16106 12392 20226 1 21148 599.2955@11.639 1 1 1 1 1 43400 1 15358 38006 1 1 1 1 1 1 14640 26737 14041 1 1 1 1 1 1 1 C7 H3 N4 S Esi-1.2859998 1 51620 51690 47827 38408 38482 46223 52205 20372 19618 1 42663 55743 50449 58546 60966 79006 29896 71264 54146 75400 87119 91428 43096 70312 589.9034@13.627 1 1 1 1 1 15209 1 1 11666 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.658 68101 62631 63370 67793 61450 63078 61086 25797 44762 58475 1 60907 64091 53913 68140 64075 15256 71017 61876 68233 66726 68644 71307 74870 46432 Esi-0.88800025 :7 18454 13203 12402 17623 9378 11952 14727 10390 1 11286 1 8736 9930 13021 13128 8861 8660 11129 12796 18990 1 9696 12260 19625 7735 C19 H21 N7 O18 Esi-11.514004 393697 68817 87692 339087 51051 38007 53197 112010 73061 60284 70527 67911 75286 79612 315326 39552 90250 79858 75435 94169 1 76977 89102 81061 314000 Esi-0.868 :1 14177 19053 15146 15933 12743 16917 14917 16843 11212 15611 1 12870 14088 15050 15727 13900 14364 25656 16255 15906 12099 12544 12912 24511 11416 394.2347@8.301001 49581 1 20928 1 1 72514 1 17193 43436 1 1 1 41832 30761 1 15988 38182 1 60731 1 1 1 1 1 1 C6 H10 N2 O10 1 19494 22707 19442 8572 10278 8906 19743 11042 11891 1 12040 21284 10104 22252 26193 35758 10993 17937 10428 28221 21388 27209 12953 12209 C15 H18 N4 O9 S 45223 36806 22664 42111 57103 45000 34703 35203 36797 25107 20425 42654 49147 51142 26630 49442 36086 54577 51435 68158 30026 32653 23964 29238 50257 C18 H32 O4 Esi-11.395998 :1 50751 15836 11334 65304 1 69470 12765 31546 39565 23586 1 23550 18661 29519 22108 27635 70519 54633 1 34051 18769 18479 1 78435 1 C16 H4 O18 S2 1 17465 14174 1 10112 21707 13986 23679 23466 23690 1 1 11268 18128 12999 10817 1 1 19147 1 8641 11065 24151 1 9987 Esi-0.8570002 :5 6414 8257 15091 14047 12114 7135 10341 17233 13842 9869 1 14980 14581 11900 15438 7136 8819 1 12754 11384 16352 11126 18339 1 22250 > limit Esi-0.8419998 :32 23098 19231 24510 27032 26209 23523 21346 26201 28513 24248 1 28490 27508 24239 31635 23194 24621 13581 24822 22104 31055 25968 34088 9437 35304 Esi-0.882 :1 14773 18308 15234 15262 15013 15899 17157 16920 12422 16615 1 16677 13114 15676 13245 14106 15544 26993 14008 17539 12604 15368 12122 24440 11122 C16 H26 O3 S Esi-10.102002 48698 50673 41354 53905 49219 45814 44567 49819 42274 54065 33760 46115 45749 35175 53070 36743 21479 56737 55739 57478 52385 55512 52498 55186 42818 Esi-0.8789999 :3 17810 25880 21226 20197 20506 21628 24559 19479 15331 21752 1 19736 16884 20793 17498 19713 21871 21898 17041 24926 15091 19447 14423 19806 12461 C14 H21 N O3 14292 13163 11732 22312 12774 21184 16267 15213 24344 15495 7118 13641 14508 12815 16239 14250 17213 19082 14808 12876 12979 14357 16599 15750 12135 C46 H94 N21 22768 26318 22216 20347 19183 27014 26948 20806 21998 25078 1 18438 19851 26171 22178 25452 20090 15958 20806 20266 17853 20234 15888 12917 15031 C11 H2 O12 17569 26934 23798 19265 15543 25643 20983 22746 24235 22980 1 18250 22335 24844 24013 23928 18005 1 23626 18075 17130 16986 25153 9312 18665 Esi-0.868 :2 17139 21284 26713 22528 19466 23060 22017 24570 23813 21338 1 25499 23789 19689 25083 18047 16867 6932 21616 17356 20605 22059 24589 7719 23528 C5 H7 N2 O2 S 26923 1 21176 20472 1 21456 18281 13903 14238 16115 33427 1 10811 21939 9365 28428 58630 1 22374 11341 46335 15377 14787 1 11526 386.1766@5.764 17399 1 1 22705 1 15784 1 10706 13652 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15423 1 C28 H39 N10 O4 9612 1 1 40448 1 24422 1 21445 12889 1 1 10904 18287 41352 8246 15348 69501 21550 14760 1 1 12619 8595 9216 1 Esi-0.86700004 :17 15737 21822 20753 21006 19263 22888 19459 25383 19434 19716 1 22604 20138 18276 20993 16921 12260 6453 20165 18180 16726 15959 21282 6258 19307 Esi-0.8710001 :7 19030 27316 26366 22590 23590 26811 24738 23482 22774 25149 1 21340 18900 23730 23013 24353 20192 21504 24346 19669 17612 19328 18175 22247 14684 354.2399@9.248999 91624 1 45017 1 1 104003 1 39932 22154 1 1 18208 21207 45181 20076 49019 68664 23896 52327 1 1 24908 1 23423 1 166.0062@0.849 6857 1 1 6990 1 26756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.86499983 :18 10006 15868 19214 16649 14026 21649 15425 22103 19153 21893 1 16299 18592 17964 19732 13985 12128 1 19900 14604 15446 16651 24190 1 19715 511.8872@13.984 1 1 1 1 1 12341 1 1 9517 1 1 1 1 1 1 1 6936 1 1 1 1 1 1 1 1 Esi-0.8710001 :8 13840 14905 13703 15267 12607 14130 15028 15410 10604 15882 1 11897 13883 16292 12467 13462 15424 23497 12365 13218 11370 11425 10638 23026 10134 509.9273@0.887 1 18987 13298 1 1 16622 12854 15158 15838 22630 1 1 11009 19150 13509 10375 6331 9235 16060 1 1 12388 12331 10860 1 376.2247@8.420999 1 1 1 26570 1 60824 1 28691 33140 1 1 1 12311 20112 1 1 19331 18123 1 1 32912 1 1 11119 1 > limit Esi-0.84600013 :5 30374 31271 26402 28917 33134 34002 29174 36589 32758 29315 1 31783 33627 33892 34672 33553 28810 14300 32077 32265 32257 32031 35991 17049 34738 348.2654@12.126 19162 1 28805 30247 1 52742 1 7035 1 1 1 1 22411 1 1 7177 17758 1 1 1 1 1 1 10481 1 Esi-0.8920001 11609 15531 17678 1 10120 25231 12005 21226 19460 17898 1 1 16971 17231 11547 9303 11194 11237 19380 1 10787 10689 21800 1 12661 C6 H10 O4 Esi-1.2539998 1 14231 10942 9635 11821 17889 15221 13160 14391 1 1 12322 14077 1 13527 12588 20414 12247 16718 13742 12674 14259 1 11367 1 C54 H109 O2 S 25645 16701 16597 17068 1 21278 20267 15274 17597 18801 1 12901 18265 19827 16604 19286 13770 23485 17324 16784 14549 12622 14924 25019 10014 C40 H32 N30 O S 18927 17663 17945 15160 18290 18368 20486 16798 14577 20854 1 15959 17452 22283 17064 20710 23807 15496 20184 19839 14994 18868 13476 13234 10370 > limit Esi-0.8489999 15482 17597 19203 20682 21620 14984 19925 20039 16544 17019 1 16438 19318 16827 19931 13400 18076 13489 1 18398 17152 12390 16076 1 19375 Esi-11.658 1 1 1 19826 1 31815 13847 20033 39660 1 1 1 17389 1 13062 23756 35626 22117 17170 12006 12823 17370 1 1 1 Esi-0.86600006 9817 9773 14808 8891 10602 9307 9520 14060 12316 9185 1 14414 11172 10717 15006 8245 1 1 12778 10214 11587 9908 13779 1 11687 C7 H7 N5 O4 S 24499 31091 29312 22504 19397 29460 19471 27060 33271 24557 1 30102 30217 23669 27398 26496 30672 1 43531 19836 25797 29924 29635 1 48424 244.1789@4.895 20147 1 15288 1 1 19069 1 1 1 1 1 1 23715 1 1 1 1 15016 1 1 1 1 1 1 1 C5 H10 N5 O Esi-13.375 12359 15283 22811 31915 22826 97674 32603 25260 95212 26991 53447 17019 23614 15811 34543 17308 63816 17109 24410 20556 16332 20407 15845 18745 1 C16 H22 O4 18681 20061 21695 22489 16887 21811 20212 22126 26602 19687 14004 20062 24456 17860 21887 19151 20609 19980 18098 20539 22901 23530 23381 21707 23054 C10 H2 N2 O13 S 18134 23732 17940 17410 18892 20423 20513 20052 15168 21444 1 16230 17564 21337 16000 20686 19259 26449 18372 17374 14713 15115 14632 26670 11646 Esi-0.8700001 :2 10991 13982 10809 12395 10808 12726 12261 13724 9634 11752 1 11356 10481 10976 12078 12093 11209 21363 11733 10766 8670 9956 10898 22031 6771 240.1725@10.317 1 7422 12676 11264 17189 8027 7847 1 23732 20252 1 10079 1 10162 1 1 16399 1 9075 1 1 12575 1 1 1 C12 H4 Cl2 N5 O3 S5 11892 23634 16118 14995 22371 17465 23542 15915 11394 16591 1 14563 14269 16610 17023 15788 16204 28477 15007 25152 16362 16973 15583 27416 13347 C17 H30 N5 O8 Esi-11.287999 :1 104348 1 40973 45722 1 71632 1 52882 26617 1 1 21203 52859 17425 21012 30947 32613 14323 39002 20525 1 21095 1 28919 1 C20 H24 N2 O22 Esi-13.367002 12472 14951 18367 40128 14875 24277 16030 28234 38944 28792 22217 22902 32276 16961 26954 22509 37686 33906 31747 11430 21444 23001 23077 22370 24684 C10 H2 N4 O2 S 14620 22182 16488 16599 17257 18293 18055 18918 17879 17942 1 15187 18997 18773 18984 15631 15544 1 18941 15466 15513 17456 15831 1 13174 C7 H16 Cl N2 O6 S 1 22019 16308 17835 12177 14654 13272 22038 6537 22288 1 17772 11226 13876 26276 7265 21850 12236 22855 11421 1 11091 18341 15054 9646 > limit Esi-0.8419998 :33 30959 30695 24015 22303 28584 24838 27383 22179 20202 29594 1 21074 20039 26009 23412 28601 34018 35859 25607 31443 24960 28910 18966 33403 17158 C26 H40 N11 9214 1 20048 42834 1 30557 31680 28259 74267 27050 1 14106 24069 11010 30500 21747 58403 26468 26338 10142 14892 17556 16732 8867 9522 C7 H3 N3 O3 10610 15077 12915 10673 12807 12398 21165 13243 18254 14106 1 9340 11878 11784 11597 9429 10626 16242 1 14359 16288 14606 13614 12361 15912 218.1156@5.5789995 17195 1 8444 26137 1 37935 1 12648 14003 1 1 1 1 1 1 11511 16919 1 11643 1 1 10872 1 1 1 626.3147@11.646 1 1 1 1 1 55941 1 1 39425 1 1 1 1 1 1 12827 23987 15681 1 1 1 1 1 1 1 C19 H3 Cl2 O2 S5 21764 20073 16681 23004 12668 15881 17683 16753 6621 17491 1 15957 13162 17022 21083 13796 14715 15038 20003 21017 8194 13868 18054 24387 10927 C50 H101 N8 O 20991 21157 25301 22125 20519 23034 22595 27708 26190 19396 1 24218 24080 23932 26211 15976 17402 1 24525 20553 24330 20987 24664 1 25848 C28 H31 N5 O29 Esi-12.035999 40544 81316 91205 81970 54247 68520 85446 85196 88451 96970 112094 80578 75612 98705 108804 53500 99714 132991 86554 43702 42522 104936 84142 100010 60890 C11 H Cl3 N O9 S5 12735 17718 15421 15374 13764 15921 16020 17169 12904 17326 1 16367 16952 15620 15353 14575 11798 15841 16022 14046 12865 12434 14641 15703 12064 > limit Esi-0.8489999 :1 8888 7787 15108 17411 13813 12456 9325 19449 20337 7573 1 18187 18674 12790 18840 9581 8148 1 14496 9288 19997 11989 20728 1 26146 Esi-0.8419998 :13 20761 22559 24071 25736 26113 25722 23806 25817 24531 24558 1 25758 24379 24414 25189 23754 23785 10306 24690 22943 26889 25061 24810 12496 24468 Esi-0.8630001 :1 17374 13767 15796 16059 13664 12820 15477 13567 10625 14777 1 15236 11151 14086 11768 13556 16694 1 12923 14869 11206 13168 11333 9307 10478 C35 H36 N30 O4 S 16484 18871 11189 12955 15509 15892 15949 9896 9894 13452 1 12648 9066 16997 11291 15210 18637 35499 13517 16255 9916 14142 7592 33312 9223 C33 H9 N11 O 40475 38933 44368 34979 39048 54076 39582 39189 40725 39410 26445 35041 41483 38191 36804 40510 47685 46881 42288 46675 38428 43553 44030 44627 50215 C36 H42 N24 O3 S3 16853 18288 20184 21752 21810 18984 19110 21062 21676 19417 1 21684 20109 21541 20425 18374 17893 7516 19341 19129 21159 22402 18880 5924 17700 Esi-0.89200014 :6 201578 76233 68753 87961 73185 77502 95859 89543 74647 79859 1 68708 103395 65032 84232 78798 102165 1 70181 84510 69414 64957 67075 1 54082 467.9444@13.385999 1 1 1 1 1 15624 1 1 21357 1 1 1 1 1 1 1 10763 1 1 1 1 1 1 1 1 674.8813@13.627 1 1 1 1 1 43068 1 1 6255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H3 O15 Esi-0.94899994 39554 33392 36815 25775 31444 46146 27884 41302 34147 36102 1 38481 35879 30355 28725 27968 35388 1 42799 27364 27279 31496 34251 1 32265 390.2381@11.786 44928 1 1 1 1 38024 1 20526 1 1 1 1 33095 1 1 1 1 1 1 1 1 1 1 1 1 371.9882@0.9160001 1 19834 19980 17894 1 20755 20819 17262 19205 1 1 1 12635 20171 19610 16861 24479 1 17661 18474 17699 16324 1 1 18193 Esi-13.349 1 1 8178 13509 1 25889 14088 12326 22576 8883 1 1 10677 1 10198 10442 24619 14430 14125 1 9454 14852 12780 7770 9156 C41 H91 N25 O2 14011 11096 14022 15643 13649 15278 13371 15989 15546 10657 1 13714 13375 12794 10629 13407 12419 1 14885 14770 12563 10968 13958 1 13986 764.5829@13.630001 1 1 1 8480 1 16099 8469 9844 15801 6534 1 7709 1 1 7642 10819 21544 9300 10155 6216 1 8008 11362 1 7961 > limit Esi-0.84199995 :5 17066 16259 21245 19378 20876 20108 15318 20839 20322 15663 1 20856 22046 18383 23101 19196 17815 1 18477 17134 23418 20672 24266 1 23985 C9 H6 N6 O6 S 23909 21437 23528 23925 20558 25185 20259 23243 25443 20982 21050 21335 24427 26832 22211 20953 23478 26503 27021 22705 24763 23195 27534 24795 22774 C30 H14 N15 O14 118783 85297 46238 73418 118334 17451 91359 103213 145616 134209 157881 134030 132502 120343 82617 92675 88021 186136 103168 191159 102330 96535 155443 107051 81755 C11 H14 O3 20637 18432 20514 21839 18073 23793 19151 20123 18523 19085 14328 20927 20705 27555 23139 19518 19319 19586 25232 20279 19206 21534 18245 16541 19675 Esi-0.8500002 :7 11594 11305 9292 9830 9002 8852 9970 10037 1 9149 1 8437 7903 10753 1 11277 11723 13438 8199 8533 8069 8024 1 14675 1 345.1904@13.977 1 1 1 9302 1 21718 1 1 14662 1 1 1 1 1 1 1 8443 1 1 1 1 1 1 1 1 Esi-12.229003 35423 45998 68643 30220 43206 53967 82706 87006 60464 65968 86083 46525 63221 39506 90692 64365 77620 57619 69824 45873 54346 30071 83708 84062 58378 > limit Esi-0.84799975 :2 20217 23857 26783 24316 21782 24709 24562 23490 25321 23893 1 24312 25495 24799 19298 19996 19783 1 25773 23830 17092 19006 21815 8266 30114 Esi-0.86499983 :19 12530 15406 17296 15365 14506 17047 13415 17921 15198 15171 1 15079 14292 15372 15884 14023 14133 1 14299 11553 15106 14557 16727 1 16266 C9 H5 N2 O3 15870 1 21502 17195 1 26109 13166 16961 1 14109 1 1 17547 21106 12890 15231 13756 13524 21643 1 1 11852 23229 8675 10790 C7 H Cl2 N2 O5 S 35300 13319 14321 18996 23852 11174 15117 10610 8632 27164 1 23250 9858 15623 16968 11933 21184 32659 13333 23699 15122 17950 31524 1 12668 554.0285@0.82600015 7998 12153 1 1 6080 7808 8315 1 1 6886 1 1 1 5589 1 1 7798 23198 6577 6686 1 6045 1 18902 1 370.2317@7.451143 1 1 1 1 1 50064 1 1 1 1 1 1 38723 12681 33740 1 1 1 18390 29099 1 18653 1 1 1 C14 H18 N2 O15 S 9837 13938 6920 1 13831 12250 13803 9799 7334 8636 1 1 6718 10908 1 10668 12632 22983 10605 10458 6565 10404 6866 19438 1 Esi-0.85300004 12974 11203 18259 18127 14557 16369 13751 20646 18279 14813 1 18928 16363 13419 15805 11943 12994 1 15973 12829 16345 15249 16843 1 22749 C27 H38 N28 S2 15362 15717 19444 20737 18004 16731 15855 18217 19458 18385 1 20442 22988 16553 20401 18175 16740 5720 19151 16860 20212 19559 19632 1 18743 C6 H8 Cl Esi-1.2479997 35511 54975 66786 48276 35484 45388 48098 54795 24451 41409 1 35619 44941 41346 46696 39887 42289 19966 49123 32692 43494 44021 60026 32895 40394 C19 H28 N7 Esi-8.895998 83699 1 37687 58115 1 148821 1 140309 41341 1 1 33673 115719 52555 40290 55610 44939 40613 98113 16967 1 35020 1 53351 24718 C9 H16 Cl N9 O6 14383 21018 19031 17648 17966 18851 19029 15619 10628 20751 1 13182 16112 23466 24596 24564 12909 16100 25383 22042 18090 23860 24665 20859 18320 C16 H11 N5 O4 15919 24159 21010 15035 19626 15623 19834 10054 1 21258 1 14285 8857 22962 28011 23299 6850 13868 17732 16060 9020 25605 17779 18403 19957 C19 H24 N2 O22 Esi-11.697999 30545 29906 47536 42106 23564 47518 25489 38377 52545 33539 36000 30666 53687 38726 36900 48255 40315 58501 44790 50872 30889 39280 39710 51284 34654 172.0847@1.0839999 1 1 24507 16708 1 7279 6960 13098 8597 1 1 9484 8926 1 8300 1 1 1 1 1 9754 1 25301 1 13188 Esi-0.86400014 :4 11130 16528 20734 17693 15162 16682 16076 20151 18539 16971 1 17875 17567 16868 18946 16185 13354 1 18364 15154 14852 16452 21855 1 18639 C47 H70 N12 O3 12592 15832 14200 15708 16573 13817 14464 14066 15659 15086 12431 13679 15299 15395 12007 14796 16347 23913 21510 17503 21010 19953 22240 20043 21138 C29 H63 N14 9397 10326 15348 15439 13721 13142 11246 16051 15916 13378 1 16322 14573 10071 16603 12247 11099 1 10879 10769 14829 13314 14249 1 16996 C49 H93 17571 13171 19253 19555 13823 16310 17187 10982 1 14513 1 12622 11761 12544 10714 13783 13880 16792 18738 15152 10651 10872 13741 24203 1 392.2585@13.985 1 1 1 1 1 20319 23427 1 13518 1 1 1 1 1 1 1 1 16055 1 1 1 1 1 1 1 C27 H11 Cl2 N3 O13 S4 20360 25398 24697 24775 24854 24466 23688 23391 25294 24629 1 22965 22466 24972 21521 24666 23925 7291 21984 22896 23127 24557 19356 7069 18693 711.3958@5.041 7026 1 1 1 1 14768 1 1 1 1 1 1 1 8255 1 1 15931 1 1 1 1 20599 1 1 1 368.2192@9.092 28905 1 1 15182 1 22380 1 21856 1 1 1 1 1 1 1 17935 1 1 10502 1 1 1 1 1 1 C23 H12 Cl3 N3 O14 S3 9577 8831 7721 7010 1 8309 1 8049 7795 7361 1 6112 6541 9678 8067 8413 8435 22925 8286 9193 6876 1 1 21627 5959 C28 H20 N6 O16 Esi-13.630001 1 1 1 14236 1 10673 14938 9184 13405 1 1 10228 8724 1 9805 13466 18350 12809 8582 14498 13845 8081 13628 10049 7788 > limit Esi-0.8419998 :34 20885 20653 22061 22963 21805 18577 21299 21578 21045 20834 1 19056 21587 20730 22163 21497 20400 22698 21997 21402 24869 20554 21108 29471 21258 C31 H26 N14 O22 S 18061 14955 12088 18794 8966 12553 14477 14179 1 12917 1 11013 7747 12270 16196 9671 13311 1 22673 19843 1 8935 11161 1 9498 C23 H54 N13 O14 S 17106 21344 13334 14638 18250 16089 20887 13895 13471 21662 1 15491 15588 20677 14771 18132 20955 23071 16762 18429 12516 18094 10532 22771 8151 168.0281@1.4049999 23033 1 1 1 1 15057 1 1 1 1 1 54779 29020 45397 1 16682 1 21984 1 1 28959 1 43343 18359 1 C36 H11 N2 O15 S 18885 19429 18491 22299 16333 18048 19734 21087 9860 19228 1 21296 14781 14006 21246 14187 17486 1 23786 22024 12619 16272 17921 1 18074 730.0584@12.311001 1 14000 1 1 9882 14600 22464 1 10450 12701 10943 17639 1 10352 1 18393 14651 14220 24835 1 24658 20478 9951 10205 12904 Esi-0.86400014 :5 13265 14777 20741 20136 17925 19062 15141 23191 21465 14792 1 22555 22178 17819 24034 16292 13515 1 20098 16264 18161 16851 23475 1 22000 979.9795@12.89657 1 29755 131208 1 1 18804 1 1 1 17407 44938 1 1 26017 1 13730 1 11779 1 9839 152045 24767 26331 11372 14685 C15 H16 N O3 1 9976 10963 1 7962 11575 10169 11948 8189 5824 1 6909 12041 14297 10595 11108 13794 15408 19132 11005 11628 15320 16974 17259 19488 C28 H54 N9 O19 S 17276 18166 18238 19924 20838 17327 18584 20677 20501 17272 1 22297 20227 18339 22721 19130 18773 6539 21441 18558 19768 21455 19648 6478 17589 Esi-0.8700001 :3 10879 14817 12629 9926 11518 12320 14092 11705 8989 12182 1 10577 11052 12038 9796 12743 11366 22488 10579 12478 9181 11768 9418 21027 7679 4-Hydroxy-L-proline 26641 14393 16325 8510 9086 15473 11404 14984 9080 10239 1 8045 9056 13565 7052 9169 8317 6719 11154 18033 12327 15381 11436 7408 14515 C14 H21 N4 O13 S 11774 18783 18245 20380 1 14114 7372 17538 1 13415 1 10088 10002 13460 18550 7906 13012 1 16049 7806 1 12026 14443 1 9637 Esi-0.86599994 :7 16754 23187 23738 19202 20488 23294 21020 25206 20193 23572 1 19043 19291 19816 20750 18834 19607 12866 22205 21739 19633 20448 18405 13685 16855 525.646@0.8640001 9779 10652 9057 8042 6905 8558 8063 9958 7845 9809 1 1 8297 9966 1 1 9591 1 8509 8301 7540 6729 7436 1 1 Esi-0.6309998 50812 50689 51461 26269 43783 49889 53742 51683 50642 50337 47888 37867 50763 29198 49236 45555 44384 51589 35816 50415 51236 54446 59622 55234 51491 699.1058@13.794798 1 1 1 1 1 34403 1 36477 29856 36747 1 63600 31855 1 31105 33585 49935 32339 56431 27879 31949 29439 1 1 24118 C8 H11 N3 O2 Esi-12.947001 1 1 10753 13984 1 151388 12602 8971 16814 10557 1 1 13074 1 16521 9060 16629 8247 14364 1 1 1 1 1 1 1074.2974@0.842 8336 10037 1 1 6736 8982 10816 1 1 7729 1 1 1 8816 1 7893 9824 19535 5761 9552 1 6406 1 18419 1 C16 H24 N5 O9 14670 14541 17033 15902 14698 15569 14810 15176 16084 17090 11627 15972 15686 17590 14270 16605 16673 17667 19868 16313 15391 20358 22071 18797 18618 Esi-0.8509999 :5 21654 23993 21672 21883 19764 22456 23665 26720 24482 23967 1 18725 22854 22264 21707 22809 17867 8388 24251 20946 21775 21950 25868 10719 21961 C33 H73 N14 15232 13217 16112 13445 13690 16271 12780 15288 15793 12001 1 10966 14131 12688 18160 13583 11440 6690 15828 15045 14675 14510 18276 7537 15432 C23 H54 N14 O8 S3 15332 12933 16137 16759 16584 16156 15198 19641 16879 15649 1 19407 14725 15745 17759 15851 15387 6593 16000 16014 18307 18141 16883 6309 17118 172.1095@7.6339993 15994 1 1 1 1 42608 1 19718 1 1 1 1 16467 1 1 17607 48276 1 23006 1 1 1 1 1 1 C13 H2 N2 O12 11952 21313 14882 15144 14266 18587 16155 16569 17048 16507 1 10935 17275 17683 14622 11582 14211 1 17548 11542 13324 12644 14652 1 10977 > limit Esi-0.8419998 :35 16589 17039 18354 16450 16912 18193 15777 16865 17025 18819 1 17438 16382 16819 18653 19549 17471 8621 17048 17481 17619 18646 17234 7069 15478 505.3157@11.129999 1 1 1 1 1 22021 1 1 19137 1 1 1 1 1 1 1 15223 12742 10096 14979 1 10364 1 1 1 C10 H6 N6 O5 S 9796 18323 20019 14372 15731 14191 20508 14681 10084 18985 1 8863 13655 19281 21477 19898 16047 17733 18668 18362 15761 19977 23289 18743 17315 C9 H16 O4 Esi-12.949776 14291 1 16600 16836 8254 117411 34561 15411 23081 15207 1 7729 9531 1 9294 16758 38343 14755 18409 1 1 21754 9233 1 1 1109.2351@11.134002 1 1 11069 1 1 14268 1 10848 16516 1 1 1 1 1 1 1 19893 19907 14199 21919 1 18990 16650 16136 14527 C12 H6 N4 O 23025 12425 15939 14343 1 20280 7322 16384 18566 12225 1 12787 16023 12993 16310 9856 11583 1 15349 11875 12411 13214 12509 1 20049 C5 H2 O6 S 9712 16783 21315 18800 13150 11551 12399 21940 14746 15328 1 17113 21806 12396 17389 20790 24615 11354 16017 12609 22658 18642 23434 16190 14121 568.325@7.853 14847 1 1 10369 1 8249 1 1 1 6333 1 1 1 9950 1 1 1 1 1 25353 1 1 1 1 15766 C15 H16 N3 O9 14150 18693 16143 13406 17685 13317 19130 14438 9167 16955 1 11929 12010 20260 22585 20116 10955 13883 20687 18247 18544 20988 22105 15119 16913 > limit Esi-1.2350003 :2 33701 63048 78373 73390 38269 45727 44084 67478 50279 41751 1 45269 69462 52536 73768 80981 223085 31657 51523 50106 104159 74436 75801 57680 58537 350.209@7.827 1 1 1 1 1 25862 1 15144 15599 1 1 1 1 25500 1 12268 18042 31650 15602 1 1 1 1 1 1 > limit Esi-0.84000003 :1 14915 16156 13805 13836 14513 14700 16117 9531 7416 14533 1 11163 13376 14164 1 18615 17186 23568 12773 14689 1 13320 1 21547 1 981.0221@2.61025 1 1 1 1 1 18643 17144 1 9151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27793 1 C9 H18 Cl3 N2 O 25373 10354 11383 14219 7098 17517 9308 11475 7975 1 1 7098 13986 9142 10074 8885 12948 1 15551 17969 1 14146 14687 1 8514 Esi-0.8570002 :6 8197 10258 15012 10891 15023 12765 11704 15342 12450 12983 1 13651 14571 11547 15672 13778 11943 11735 13992 12643 14782 13064 15013 11952 12709 C6 H2 N4 20519 22277 19201 20462 16495 19688 18628 24041 16386 21129 1 18260 18931 20611 23549 22129 20931 12521 26468 19191 14345 18775 22572 16984 20097 443.9001@13.98 1 1 1 1 1 12206 1 1 9194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.8509999 :6 27650 29572 30397 28381 26677 28506 29098 30584 29863 28682 1 27159 25206 28270 24779 26902 24978 1 28920 27500 27704 27274 29468 9743 25243 C21 H Cl N O S4 10442 7972 8370 12736 10518 10326 10279 8963 8745 9561 1 13903 6879 7531 9123 7785 10708 11416 7209 11321 6967 6376 8803 15627 10405 1176.2748@0.8450002 7399 8858 1 1 7060 7759 6675 1 6980 9160 1 1 1 7792 1 7251 6737 20414 6910 9918 1 8071 1 19019 1 C52 H108 N O 22687 27073 17132 22521 21015 24039 25956 20353 21309 26435 1 15489 16832 23037 16602 19132 24907 25075 25822 21444 21394 23013 17325 27098 15689 103.9639@13.626 1 1 1 1 1 15152 1 17096 19848 1 1 18518 1 1 1 7275 15725 1 1 1 1 1 1 1 1 268.9785@5.2869997 18754 1 1 1 1 16584 13266 1 1 9896 1 1 8070 10698 1 1 1 1 8512 24679 1 1 13934 15624 1 C59 H13 N15 O4 1 18746 14665 1 16339 26846 16252 22178 37012 26344 1 1 20751 27773 17150 23470 14649 1 34983 7590 28033 25896 23762 1 30694 > limit Esi-0.847 17561 16952 20988 1 16486 20081 1 22408 23487 19686 1 19933 21534 19139 21328 16594 1 1 21271 21246 20991 21716 24936 1 19283 C31 H12 N12 O12 38197 37924 41392 42024 42900 45320 42452 60493 38721 41955 47352 40263 38040 45007 58266 35558 41214 59022 49065 46312 67723 79195 46889 40303 46129 C6 H6 N2 O2 27020 15420 9002 8100 7200 9823 9419 1 12127 8454 1 1 1 8199 1 11243 8406 8142 1 13084 13527 8785 17296 1 8314 > limit Esi-0.8400001 :3 16666 15456 10479 12660 16921 14008 15548 13246 11283 16439 1 9738 13064 16171 11579 14475 17404 19010 12815 14000 8963 13066 8802 20277 6229 Esi-0.8460001 :2 9115 11333 13616 14814 13303 12850 11947 15537 17056 11941 1 16111 14554 11888 16200 13341 11583 1 13359 10117 16168 12370 17023 1 18918 Esi-11.682001 1 1 1 23716 1 38346 14410 22059 41995 1 1 1 16867 1 16880 25455 40842 24703 21934 16393 14856 17720 1 1 1 C23 H20 N5 O22 24867 1 24873 31179 25156 32415 31695 26091 27900 24626 27002 18325 26754 23171 23031 24288 22749 26463 28577 31114 22411 29465 29503 29082 26682 232.0305@0.8990001 19544 1 14730 6672 1 11600 1 7420 8701 1 1 1 8347 1 1 12937 1 1 11716 13046 1 15646 6802 1 17686 C27 H24 N15 O16 66719 60671 46264 75613 1 28585 25584 66000 65346 18976 43563 20281 22720 68565 50891 64058 21450 68513 85205 20518 32230 67525 71287 64820 79668 C30 H20 N18 O16 32326 21297 47272 24168 23809 40972 31697 21141 38358 24042 29570 34291 13813 25533 22229 28566 39800 34003 38684 20568 27930 25854 33267 35597 29188 > limit Esi-0.8419998 :36 27662 27095 26591 25592 28961 24605 24134 24144 22081 25243 1 25551 25237 28590 27785 27825 26088 11309 25566 25498 27660 28481 24580 11517 20555 > limit Esi-0.8419998 :37 15309 16318 12858 14817 17243 14162 16035 11319 10029 15932 1 11990 12714 18094 12994 16957 18944 21454 16355 17185 13039 15088 11667 18866 7453 C19 H24 N2 O22 Esi-11.5 :1 43997 29030 35281 32184 25076 45354 27373 32300 34015 28509 31348 37326 41248 10581 27428 41065 39984 32471 37286 42359 31986 45318 44540 36139 31695 306.1101@0.983 1 28215 1 1 13231 20337 15683 1 1 1 1 1 1 26986 1 1 1 1 22291 1 1 1 1 1 1 Esi-13.484648 17702 34244 44738 33512 1 43596 1 1 93728 16723 35954 30543 37859 1 1 35301 33269 18999 1 31620 42191 18704 1 25806 1 C46 H93 N2 O 22609 22105 19974 25424 18021 17593 21530 18884 1 20003 1 17456 14437 19269 23556 13207 14721 13597 22487 24826 1 1 20379 20966 1 322.0118@13.373999 1 1 1 20574 1 20649 11785 13912 28002 10875 1 1 11660 1 12832 10205 16499 1 10570 1 1 1 1 1 1 450.3672@13.634999 1 1 1 1 1 41776 1 1 38979 1 1 1 1 1 1 1 22041 1 1 1 1 1 1 1 1 C37 H7 N7 O11 1 16652 12147 1 15594 17119 15645 20480 22244 17959 1 1 14785 17030 15585 16115 8665 1 21641 1 17372 16317 19123 1 18132 806.6264@13.376002 1 1 1 20043 1 56604 16707 11910 51900 11614 1 1 12161 1 15962 1 48481 19475 18621 1 1 1 12337 1 1 C6 H2 O6 S2 Esi-0.88400006 484138 328585 328754 492704 328381 335259 351360 289830 112828 320032 66379 327771 242159 365062 385178 220095 312333 506324 378116 540227 160929 313605 326217 748941 254731 C21 H24 N9 O17 30535 14677 59103 25321 32503 87972 32315 28449 34696 31375 18706 13125 19450 40949 18867 22437 66897 21417 33506 24357 25484 30496 27236 17089 23097 C42 H38 N22 O3 S2 13511 13362 18885 17603 16252 14470 15976 19180 18720 14237 1 19609 17073 15347 16064 14219 14311 1 13416 13826 17121 15104 18257 1 18457 Esi-0.85799986 :10 12481 15035 16149 15737 13963 16404 13323 14917 13212 14431 1 14121 13207 14494 13879 15591 13790 16770 15225 15619 13839 12759 16136 15528 12990 C31 H52 N14 O19 S2 17202 17696 17722 19624 19304 20772 18738 18522 19246 18474 1 19734 18882 23137 18405 19929 21333 10756 20033 20548 19032 19115 16447 8465 15786 581.3312@9.279 9297 1 10063 23558 1 23507 1 36183 24736 1 1 9122 10207 17206 1 12731 32224 16225 24865 1 1 10396 1 1 1 140.0778@13.981999 1 1 1 14584 1 8322 25422 16359 20433 1 35378 1 13910 1 7817 12723 13204 1 11703 1 9862 1 1 1 1 Esi-0.8700001 :4 13575 17125 20878 19144 15502 19824 18358 23102 17708 18115 1 18166 16940 18256 18421 16359 14251 7361 18357 15601 14963 17754 19972 6088 16929 C13 H25 N O3 9764 9262 16613 16621 9882 12685 9545 15074 7289 20089 1 9677 9098 13540 17357 12339 13424 12296 14616 16057 12480 9006 13711 10831 21527 C6 H8 Cl Esi-1.2469999 34035 54975 65711 50741 34917 45388 46058 54527 33200 41409 1 35619 44667 41346 46696 47088 42289 21618 48776 32692 43494 44021 58150 32895 40324 > limit Esi-0.8419998 :38 14324 22216 22649 22722 18471 20802 21886 19581 26186 25749 1 17990 20553 24661 15207 19681 16695 10228 21684 21696 21036 18313 20007 7821 20194 C40 H85 N13 11596 11740 12072 14412 9797 11248 11841 14804 9954 13011 1 12102 9963 13840 14007 12414 1 15781 14429 12999 8939 12367 13353 18750 12016 > limit Esi-0.8419999 :2 19345 20362 20351 19898 18608 24131 18895 22591 20170 17832 1 19632 20540 21876 22034 20241 18852 1 20748 18495 24355 20225 21518 6482 21622 C20 H5 N4 O13 S5 16716 16799 17974 16822 15351 17898 17861 18945 17641 16627 1 16347 16773 19500 20358 17672 16499 1 18101 17469 15930 17359 16509 1 16043 C7 H6 N2 O6 Esi-6.914999 109425 154878 117741 122902 122033 107094 119683 184772 340440 125111 147239 325759 184806 129106 138754 99714 161363 126802 151041 186150 129080 136023 174044 94465 222756 > limit Esi-0.84600013 :6 18366 19515 20692 18060 20414 24138 20635 22274 21359 19879 1 20166 23106 22670 23000 24243 19951 13764 22933 22187 21377 19642 21648 13820 18674 C40 H40 N20 O4 S2 12693 14755 18611 17339 16587 15473 15808 19604 19213 14769 1 20123 17528 16732 17788 16557 13811 6994 15833 15088 18652 15151 17802 1 17065 375.9129@13.375 1 1 1 13425 1 14360 10637 1 21316 1 1 1 1 1 10931 1 16469 1 1 1 1 1 1 1 1 199.0571@0.9820001 7561 8852 17916 1 1 24600 13916 1 1 1 1 1 21173 7543 7242 19344 16942 22755 16072 1 12647 6670 7384 14049 1 > limit Esi-0.8450001 17885 17389 19975 22308 21308 22373 17444 21837 24031 17948 1 19212 23158 18091 21520 20152 18991 7840 18655 17949 21084 21029 23442 1 20511 C14 H10 O10 S 31541 42987 39156 38610 23826 50614 45220 46032 36776 41797 1 26577 41532 36535 35656 46108 36667 1 55625 39596 43800 45990 24982 1 41436 307.9257@13.623 1 1 1 1 1 8487 1 1 7064 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C38 H2 Cl3 N4 O23 21074 24227 21213 19368 20679 17027 22489 17291 13655 23520 1 19238 19388 20452 17545 20668 23893 11469 19735 21215 18121 19797 13825 9587 11361 C19 H28 N10 O15 Esi-11.2890005 64907 1 33575 36516 1 45205 1 42477 23616 1 1 20187 38433 13317 18014 25287 30185 15107 35490 18646 1 20477 1 26102 1 > limit Esi-0.8419998 :39 16424 17651 17080 15137 18386 15836 18168 10918 13079 17417 1 11381 12475 16994 14609 18342 18090 21147 15205 17960 11930 16854 10181 17046 7526 Esi-0.859 :1 12617 11289 14120 13300 9710 14353 13432 11446 13905 11573 1 10409 12024 12756 11869 8419 13175 9434 8764 12540 11565 13204 17885 1 17058 C30 H34 N O24 S Esi-11.813001 24480 16934 22296 34714 23748 47214 19716 25333 40835 18645 16673 1 24102 19423 30492 20419 34535 32402 33727 21029 16213 23787 22496 15616 20459 C17 H22 N8 O10 12310 16573 15759 15696 15810 12431 14583 16114 14315 16015 11337 16338 16416 18699 16699 14680 16630 16142 18893 17364 18722 17286 20615 17675 18487 Esi-0.8710001 :9 9820 12372 10817 10225 8378 11623 10857 9913 8488 11676 1 10000 8883 10503 9423 9142 10952 21162 8521 10847 8656 8848 9536 19255 7843 C20 H33 N O23 S 34677 41144 36838 16049 25758 48348 27070 20287 38354 32006 24599 18836 35065 27567 24518 23125 26802 29602 44275 23775 54349 48686 48171 19942 26739 C20 H19 N7 O19 16121 19091 20017 22552 18807 47328 49023 19859 32584 10426 1 24580 18072 19602 50963 24046 23629 24891 27379 29607 28337 23728 21128 56323 25173 > limit Esi-0.8460001 :3 9379 10613 13162 12975 12175 10781 11218 13044 14311 12671 1 14242 12819 12668 13564 13500 9463 1 13559 10513 14330 13663 14865 1 13990 438.2241@7.710999 1 1 1 84117 1 60232 1 1 55587 27394 1 39411 38546 43785 38200 39348 97824 1 1 49184 84435 42762 31646 1 1 Esi-0.86499983 :20 10285 12617 17203 15742 11623 12014 10700 17551 15199 15531 1 13058 14296 12661 14196 12346 10759 1 13843 11291 14119 13729 15466 1 15124 Esi-0.86400014 :6 14056 15142 19000 16102 14437 16950 15915 22628 17020 16701 1 16706 16958 15064 17833 14521 12210 16064 18967 14782 13369 15980 20484 16523 17658 592.4696@17.436003 15368 1 1 1 15745 16571 15020 15878 15372 1 1 1 1 20057 17232 1 25088 24361 22286 21762 23141 24271 21478 19261 25670 C20 H2 O16 S5 13727 19254 18564 14224 18500 16949 17210 19157 18429 19209 1 13311 14933 16711 16759 14516 12436 10696 16558 18792 13806 19264 15821 10026 14144 C9 H12 N4 O2 Esi-13.3569975 :1 17920 15868 22278 38772 17056 48808 36746 38817 56132 28375 17416 19940 26055 16898 35047 31371 54741 28513 29564 14887 14552 27500 23378 14925 13014 > limit Esi-0.844 1 14671 16047 18342 15086 18090 15431 1 1 18999 1 13808 16965 15569 15443 15331 15643 19779 17530 1 14636 16737 1 19986 12328 > limit Esi-0.9309998 7415 14531 11879 7053 14470 13064 13064 11012 15756 14566 1 12465 12227 12377 11471 14849 12522 1 22445 8873 18885 17160 13410 1 20429 > limit Esi-0.84199995 :6 17927 16622 24006 21653 19099 18979 17494 21281 20855 16409 1 23493 20942 16660 21163 18407 16930 1 19323 17527 23880 18312 23986 1 24737 384.1059@0.921 10676 1 1 1 1 9869 1 1 13234 1 1 1 1 8781 1 17569 1 1 1 1 21722 8911 1 1 11216 Esi-0.8669999 1 11644 16561 16792 10809 16113 13493 16218 16603 11896 1 13026 15542 12089 15501 13691 7737 1 14449 9193 11278 8887 21253 1 18259 354.2395@8.53 45857 1 23795 1 1 64344 1 1 1 1 1 1 1 1 1 14968 17824 1 1 1 1 1 1 1 1 C3 H Cl3 N2 S4 13809 16936 23491 21327 17483 20663 17729 23813 19574 16793 1 21838 18618 16974 20983 17540 16424 1 18793 12456 19788 15471 20920 1 17503 C38 H83 N14 9727 15336 15342 11466 11431 13588 13847 13687 12171 14331 1 10800 11105 12142 12026 14245 10635 10013 13299 10020 9934 10915 13780 11528 13412 C19 H28 N6 O4 Esi-9.925001 10370 9126 10425 10891 1 23757 1 15490 7806 7218 1 7603 19478 14699 6920 15888 20931 21151 15990 13777 20475 7652 1 11989 7769 136.9779@13.506 1 1 1 7313 1 45038 1 1 35477 1 1 8667 1 1 1 28334 9015 1 1 1 1 1 1 1 1 202.0619@13.499 1 1 1 32635 1 44482 28116 1 15823 33436 1 1 1 1 1 1 18382 17917 1 1 1 1 1 1 1 364.2606@10.321 67383 1 17258 28735 1 20071 1 24466 1 1 1 1 17792 1 1 10704 1 1 18705 1 1 1 1 22796 1 C45 H77 N4 O2 12392 13211 12135 11042 10124 12753 9961 15906 12139 9508 1 9268 12477 9442 12715 12690 11342 11788 12530 11309 12421 11142 12002 11788 13082 C20 H2 O17 S2 12269 24505 15688 13046 9487 21039 14132 18929 18523 15015 1 10371 14759 16881 17497 16651 11294 1 18105 12140 11924 10801 16255 1 13828 Esi-0.8600001 :2 13511 13656 14780 15737 13371 12156 12621 16973 12300 13209 1 12610 13127 12565 12168 11814 13031 8298 15328 12783 15592 15014 11042 6046 13521 228.1359@6.9250007:1 1 1 18893 24145 1 21825 1 9131 29052 1 1 8080 1 16274 1 30375 8012 8126 23148 1 1 15576 1 1 1 C6 H11 N7 O3 16043 9066 12505 1 11368 12300 7271 12118 8555 9254 1 8382 13163 21204 13487 12203 15268 15140 22360 11561 22521 19745 25782 16054 22550 696.0943@13.985 1 1 1 10154 1 14212 1 11034 10792 9545 1 1 14202 1 9869 1 13093 17342 1 11069 1 7511 12026 11899 1 362.2452@10.067 33307 1 16037 1 1 13965 1 15652 1 1 1 1 26640 1 1 1 1 1 11491 8836 1 1 1 16944 1 239.9384@13.976 1 1 1 1 1 11604 1 1 12254 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H15 N5 O2 Esi-12.949001 8218 1 15660 11166 7207 161776 24536 18014 12573 14408 1 15612 9054 1 11356 7062 39313 14051 10042 1 1 1 15965 1 1 C29 H56 N6 O16 S 17685 18260 20654 16280 21382 18670 19313 20786 18499 18756 1 18562 17649 19116 18268 20086 17513 6798 21050 20428 18876 19203 17647 1 14364 176.0482@1.0170001 25051 13926 9537 1 1 14630 11299 8510 9378 7727 1 1 1 1 1 13312 7841 1 7057 9815 1 7085 9083 1 6721 C22 H32 O3 Esi-11.490002 76186 1 75477 67717 1 172081 1 51241 58380 31149 1 38428 258319 16012 55550 78132 54407 26881 29964 13565 34579 41651 70654 1 1 348.2661@12.069 38070 1 28805 30162 1 52742 1 14738 1 1 1 1 22411 1 1 6058 11144 1 1 1 1 1 1 15102 1 Esi-0.84600013 :6 20011 21935 21181 18510 19338 22355 21220 24508 17701 20540 1 22201 18031 23568 20284 20609 17227 9278 21435 18724 19125 16487 19688 7667 15642 237.1134@13.37 1 1 1 16688 1 24297 1 1 26204 1 1 1 1 1 1 1 18912 1 1 1 1 1 1 1 1 C6 H6 O7 S2 15436 24190 26268 24708 22527 26960 25592 29946 25907 30053 1 15455 23026 23350 26558 22853 22884 20569 23688 19897 17017 19030 30458 20438 19609 C6 H Cl O S5 12925 17487 15459 19028 12112 17012 16780 16588 12511 15225 1 14493 15432 15550 14952 14902 12618 13901 14839 14397 10637 15062 13299 14021 12264 Esi-0.87600005 9850 9464 17741 18249 10960 13001 11453 17947 14902 9932 1 17418 13669 9790 15857 11355 8885 1 12257 10729 14999 13445 17946 1 19620 C17 H2 O8 S 12800 21348 15815 15327 13130 18506 18651 16396 16757 17217 1 10877 15392 20265 17012 12100 14452 1 18965 13191 12298 16229 16116 1 11366 224.1409@8.675 1 19763 1 1 8804 21955 1 1 1 13992 1 1 1 1 12251 1 11562 29348 1 13781 1 1 1 27228 1 C37 H79 N6 O 11235 13194 14539 11329 12109 13517 12015 15489 13759 13736 1 12062 12190 11390 12737 12272 11129 1 12598 13104 12480 11072 12754 1 11383 Esi-0.8489999 22480 16779 12294 11372 8853 15724 13580 13133 15170 17263 1 7974 14322 14409 15695 12181 13282 1 13118 10293 9265 8828 13254 1 1 503.7678@0.866 1 1 1 1 1 10214 1 1 1 1 1 1 1 1 1 8520 1 7726 1 1 1 1 9548 10615 1 406.2374@11.288001 1 1 1 1 1 30704 1 1 14568 1 1 18020 32322 1 1 1 14515 1 1 1 12467 1 1 1 1 C30 H34 N6 O29 S 1 41889 1 27794 1 30873 49691 36669 45372 27395 1 21857 60420 1 1 65467 84016 52557 1 1 26447 1 24823 46035 30150 C5 H12 N2 O2 Esi-0.88400006 9756 8535 11012 46423 36520 34985 53156 40715 45454 40150 1 26392 30921 8159 25724 8297 9837 12885 9995 13217 8156 10874 11059 16422 41627 C6 H N3 O3 9466 12593 14883 8835 11125 10413 10434 10994 12984 10709 1 12391 9752 10779 11348 9956 13451 22741 6924 14335 8908 11560 11695 15154 7627 Esi-0.86700004 :18 11876 16385 18780 18620 13169 17340 15875 18505 14490 16573 1 15802 15401 15596 15215 15005 12977 9086 15141 15477 14443 15876 15405 9554 15026 C52 H107 Cl2 N5 O4 S 20254 17332 22283 22945 17138 19007 17349 21639 21973 16838 1 19036 19287 15593 20840 17687 1 6134 20223 18541 22243 16102 21747 1 23388 C14 H8 N4 O6 10943 19239 15055 13226 14385 13894 18093 14902 8934 17391 1 10333 12792 19691 18155 14693 11243 18624 16788 15581 13322 16240 17607 18773 13849 623.3429@8.107001 1 1 1 1 1 18597 1 25310 9946 1 1 1 1 11928 1 1 9038 16581 12205 1 1 1 1 1 1 C33 H20 O4 6866 7740 8673 1 8561 13759 9301 10649 15848 8596 1 1 9708 13359 11161 24078 6322 6568 12024 7492 23336 18423 11519 1 15604 255.8898@0.89200014 1 1 12828 19896 1 11669 1 8636 1 6157 1 11824 11271 8117 18683 1 13590 7047 8896 7075 1 1 17387 12919 12589 Esi-0.881 18856 20668 23303 23088 19140 21176 20747 19712 18644 19559 1 21620 18397 20326 19516 19634 19601 12354 16501 19941 17462 19306 18798 11149 15451 456.2091@11.753999 11498 1 16790 1 1 17437 1 8089 1 1 1 1 8593 8222 1 8488 18511 1 12436 1 1 1 1 1 1 563.3218@10.464998 1 16081 10232 1 1 16688 15728 8670 16406 15717 1 1 10746 12911 9029 1 9346 13634 23894 15659 1 16052 12964 14219 12407 C20 H34 O3 Esi-11.709 :3 500198 19706 316074 129278 1 545152 1 262050 65568 1 1 47777 176699 53224 59842 200616 199245 66255 135857 59390 79119 85548 12061 122644 50231 > limit Esi-0.84199995 :7 17696 17116 22070 20757 21158 22942 18992 20034 18799 15782 1 20740 21084 19776 21945 20711 17466 1 19579 17965 21023 21745 23220 1 21948 Esi-0.86599994 :8 9526 15018 13791 17983 13232 12848 13893 12454 11592 10598 1 12584 11150 13906 14928 10222 11608 14268 16492 16159 9943 12185 13020 18367 12356 Esi-0.88599986 :2 17926 13501 11339 17088 12925 13696 12223 13348 1 13702 1 12955 8827 10068 14370 6961 10815 15512 13289 15822 1 10469 11745 20898 7662 Esi-0.86700004 :19 13110 16464 16169 17331 13530 15055 16127 16056 13655 14320 1 13176 13176 14301 16038 13722 14188 20941 13648 14322 11677 11022 15121 22059 14244 > limit Esi-0.8409998 :10 19727 23138 18013 19306 20467 21003 21170 14448 15033 20902 1 17436 15781 19100 17192 20421 22195 20525 17430 18240 18730 20446 16185 17624 12592 C44 H53 Cl2 N5 10724 12425 1 8288 11117 10051 12900 10060 9231 10311 1 7536 8351 8491 11701 11305 10981 12945 10064 9832 10031 9428 7252 12557 1 226.054@1.203 22566 1 1 1 1 9876 1 8478 7358 1 1 1 1 8093 1 7012 1 1 9259 10090 6257 1 1 1 1 Esi-0.86499983 :21 10414 13607 19640 18108 14860 15880 14607 20643 17927 16011 1 18529 17797 14346 15954 15081 11636 1 16917 14737 16181 15380 21294 1 20180 C16 H24 N3 O18 Esi-11.196001 55852 12664 20176 13950 10557 15269 15577 58827 18344 12252 16566 30734 17384 18089 11428 15741 19751 19154 30482 15795 57390 17745 14854 17323 13572 230.1515@8.197 8642 1 20489 11260 13298 17293 58639 8422 9805 23452 1 1 1 11166 1 1 7892 7383 9119 13573 1 10125 1 1 1 Esi-0.84700006 :3 10770 15955 17439 18028 12119 17394 13331 22111 21670 14991 1 17027 18567 13674 18640 13552 10420 1 17844 11552 20118 13759 25329 1 23202 > limit Esi-0.8419999 :3 13499 15782 10598 11824 14965 10934 16824 10146 10056 15405 1 11930 8783 15692 10817 16062 15957 18831 15053 14323 10455 14939 8528 18923 1 Alanine Esi-0.9010002 47469 44811 87300 23248 36079 116371 8417 18744 12615 37903 1 10813 12747 47804 13822 93753 11789 9892 78487 16988 17342 17902 22439 45729 21031 > limit Esi-0.8419998 :40 27432 29370 21563 19704 23395 28387 24423 22265 18832 27805 1 21770 20152 25138 21324 28947 30321 57392 26548 29765 22713 25392 20220 59037 15366 C17 H N3 O 19314 9163 10755 1 8270 9874 10022 7424 6242 7232 1 6050 9866 8749 6398 7505 6588 7541 7148 6732 6945 9566 8187 8079 8295 C9 H12 O3 S2 1 13966 9876 16147 11151 10367 9127 14681 1 13325 1 14242 9198 8733 16120 1 14120 17800 12519 12166 1 7534 12981 20566 7260 C40 H69 N3 13028 17375 23013 22163 15695 16420 18586 22578 19048 16315 1 21851 19454 16423 19670 15465 15879 1 15589 17181 19054 17800 19652 1 20610 Esi-0.8560001 9638 15181 18388 18636 17551 19045 16623 19498 19549 18124 1 20836 15957 17030 18516 13405 14131 1 18056 12573 17038 12986 23947 1 22548 422.2296@9.11 1 14438 1 1 1 18297 1 1 28098 27712 1 21835 67836 53960 16736 27218 33798 1 29879 11816 33414 19615 1 20703 1 Esi-0.79100007 6964 13994 9017 16013 5839 14625 7507 13068 14415 10726 1 1 11161 14287 13934 9836 7123 1 16052 8028 16810 8062 20771 1 16226 188.141@9.176 1 8913 12332 19910 1 23104 1 1 1 1 1 1 1 13497 1 20953 1 1 9744 1 1 1 15543 1 1 C22 H52 N15 O11 S 16832 17321 12198 12986 16882 16990 17211 13265 10747 16162 1 10993 15359 17746 14296 16072 17791 19750 13884 16997 11586 15436 10668 16836 6150 C17 H14 N6 O2 15890 1 13821 9575 1 13361 9479 12539 16629 14000 1 10639 9201 8378 11478 10131 15723 14006 13510 17788 20356 10906 16361 11619 10633 C45 H75 N19 21273 21135 22679 26682 14655 22111 22959 19160 13098 21429 1 14346 16712 18852 19573 14198 13174 15607 21975 24133 8483 14575 17458 21811 16650 C17 H6 O 1 20093 10711 11693 18987 13799 7908 14879 14100 7156 1 10440 15184 8050 17142 11337 12642 7131 17686 11580 18939 16817 10392 10971 12928 Esi-0.93600017 15114 20675 16056 14529 16113 14159 16286 14909 10084 14411 1 14597 13557 15166 23225 18456 10324 16735 17701 15681 13664 17777 17962 13414 13569 C19 H19 N12 O11 S 19937 16434 15333 25155 15290 45934 17896 17679 61507 14568 53466 8613 22869 25903 20928 37631 55612 18215 67182 77497 54394 74072 44451 18636 34045 Esi-0.8700001 :5 12817 17559 19460 20557 17575 20359 18251 18839 15942 18564 1 16866 15211 16906 18101 16522 16893 7394 16550 15940 16304 15444 15747 7606 16088 Esi-0.8560002 :8 9431 15847 60519 53346 52641 60893 11374 61831 58151 60134 1 53624 55018 57460 58133 15651 53532 79252 59385 56375 56921 50695 56670 74928 64502 641.9167@0.84400004 1 1 1 1 1 20514 1 1 1 1 1 1 1 1 1 1 1 6864 1 1 1 1 1 8921 1 165.0424@5.4430003 21124 1 7951 9290 1 21983 1 7435 8550 1 1 1 11596 12879 1 8368 13101 1 13267 1 1 10637 1 1 8166 942.2173@0.9300001 1 6623 1 1 1 12146 8155 9535 24520 11194 1 1 7576 17854 1 10121 1 1 13019 1 13472 12515 8757 1 10571 C9 H21 N4 O7 1 6687 6910 1 9471 8355 7738 7676 6154 1 1 5887 6515 12651 11748 20694 1 1 15245 9140 17880 15008 14004 7732 13595 C4 H4 N3 O2 9668 15042 9219 13201 22694 17799 15308 15218 15970 1 1 18101 13561 18878 12873 10656 1 15966 16639 17183 13911 14737 1 19220 24387 561.997@0.8579999 1 9450 1 1 1 12362 1 11701 13087 17539 1 1 1 10350 1 1 1 1 7737 1 1 1 12875 1 1 C22 H40 N7 O3 20010 20109 38290 91853 19368 145397 84584 59437 148098 64258 10687 32215 49025 27552 56992 41825 119339 63150 60643 20844 28091 35045 40707 19227 20849 222.1106@13.985 1 1 1 1 1 12132 1 1 12584 1 1 1 1 1 1 1 8119 1 1 1 1 1 1 1 1 C54 H109 O2 S Esi-0.8489998 20369 14398 21423 19589 14817 19782 17316 16951 18771 19251 1 17504 21126 14303 18412 18995 10999 7651 16584 18490 13321 14999 18283 6229 16974 216.1719@9.690001 1 1 1 1 1 55012 46795 119141 1 45123 176676 47357 1 1 51147 55513 1 39968 1 58260 162489 1 119113 1 50234 C37 H81 N16 17167 21143 15835 23031 14477 17355 18780 19780 9504 19362 1 12193 10472 16473 17081 9534 14029 9605 18002 17087 1 15438 18421 18021 11170 Esi-0.86499983 :22 18550 33566 29873 21636 25940 37284 25559 38075 30856 29725 1 23765 28330 27737 30258 28251 18582 6818 32945 19345 24715 24309 30689 1 24264 Esi-0.86700004 :20 12049 14924 13802 12449 11408 13805 13215 12452 10734 10921 1 12525 10800 10558 13535 10467 11571 19709 13095 12400 11138 10102 13309 19382 10026 Esi-0.8710001 :10 9165 11964 10021 9842 8816 9280 10116 9256 8647 9870 1 8602 8105 9358 8146 10143 9569 18441 8196 9024 6890 7973 8319 19171 5462 Esi-0.7799999 :1 14655 9843 11002 11740 13662 10123 12252 12156 9341 10749 1 22627 12198 12139 10383 11950 13792 1 19837 14180 14696 15566 16822 1 21138 C7 H14 O3 Esi-5.496 186681 36762 173271 167699 1 157325 1 1 156802 182399 210211 169910 1 1 161868 160575 165210 189360 1 1 1 193735 1 92713 1 C33 H67 N11 6215 8290 6392 7057 6049 6316 8623 7289 5835 6165 1 6782 6448 6843 6237 7692 7322 18408 1 6970 5585 6275 1 17568 1 C22 H17 N10 O18 15005 31542 24935 21007 32231 6636 17815 13332 13290 21856 44570 19417 19657 44275 24570 16341 15783 28047 23132 15714 22888 15929 35267 28635 25144 > limit Esi-0.8419998 :41 18678 22256 20880 19777 20874 18970 19520 19966 16876 19794 1 18459 19569 19411 22621 22257 21242 16448 21227 17489 21573 21170 20936 15974 18284 225.0691@6.3030005 1 1 1 1 27401 53679 1 1 37749 24818 1 1 1 1 25864 1 1 1 24835 1 1 1 29933 33253 28724 > limit Esi-0.84600013 :7 19865 21335 17464 18058 21482 22159 18809 19400 17690 17980 1 19425 18094 22641 21380 20578 17107 11557 21507 21965 17192 19918 17818 9030 15195 C47 H2 Cl3 N5 O2 S4 12593 18273 20196 20104 16524 18396 16867 21422 20934 15589 1 19754 17339 17155 19569 16425 16403 6854 19207 16898 19288 17096 21923 1 17034 C6 H4 O11 S 197377 193697 1 1 207949 80505 192246 1 73043 199950 1 178163 78262 98457 124564 130517 1 135732 84253 148458 212287 254903 192465 282477 149894 > limit Esi-0.8419999 :4 18889 18749 19816 19659 20205 18904 19146 20535 19359 20730 1 16452 17039 21605 19728 20411 21811 15079 21355 20482 20780 19530 18160 14257 1 334.1022@12.95 1 1 1 1 1 16035 27745 1 10194 1 1 1 1 1 1 1 27312 1 1 1 1 1 1 1 1 C40 H77 10034 11585 11751 9801 8024 9452 8439 8108 7961 8664 1 10585 11343 9025 10521 8916 11556 23772 9483 12732 7313 10154 10148 23217 10584 Malate Esi-1.0960001 33551 32209 38454 40290 29622 39498 24685 38764 33061 26906 1 23178 27295 85334 45996 37412 41067 88337 38283 27859 24826 28648 31109 90594 27312 C9 H Cl3 O13 S2 1 18404 11843 12318 14713 15632 14150 12725 13154 15290 1 13846 12305 14729 11149 12784 12928 23420 16649 1 12811 10434 11961 22563 8163 239.9386@13.625 1 1 1 1 1 9785 5999 8543 10711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.3133@11.080001 1 14317 16427 1 1 24392 1 1 12997 1 1 1 10536 1 1 10295 16228 19315 14314 16566 1 11824 9542 13904 1 132.0786@4.1839995 85142 129449 112215 1 92767 161013 1 76772 75845 1 1 1 158912 1 1 93736 24936 1 1 1 17178 1 1 129305 1 Esi-0.875 :5 8854 9891 8686 10082 6342 8535 10673 6652 6579 8336 1 7165 7246 8921 6465 8311 8622 13246 7704 9605 1 7285 6016 15149 1 Esi-0.90699977 1 13242 13886 8474 11903 11680 11412 17131 13807 12727 1 12666 12843 10349 12291 10339 7563 1 18002 1 12994 11550 18288 1 19891 Esi-0.87999994 :1 12230 11566 18918 19913 14090 14684 16231 18510 15622 12825 1 20469 18558 13652 16399 12682 12776 1 15887 13923 16779 16033 16895 1 16337 C13 H14 N6 O5 1 1 13092 19830 1 13059 19036 22902 28972 13668 1 1 12540 1 16542 13563 22844 11320 12359 1 1 1 1 1 1 605.3324@9.339 28512 1 43096 27136 1 40908 1 42889 15268 1 1 13720 23005 19786 1 23038 54427 35724 41549 1 1 12732 1 22872 1 C16 H10 N O3 18194 17302 12591 9645 9532 21513 8444 13765 13763 8168 1 1 9999 14502 13702 20836 9927 1 17257 13462 14942 20073 16270 8551 15007 642.0967@0.941 1 11819 10712 1 1 15545 12987 12635 14919 1 1 1 6186 14249 11365 12216 8699 1 14969 7320 12276 9624 7608 1 12943 C9 H2 Cl2 N O5 S5 9411 12809 15460 14676 11067 11648 14482 16090 13793 14527 1 12333 13262 11135 10934 11144 10704 6671 13961 12600 9110 9370 13514 5688 12541 475.1767@0.941 1 6716 8663 1 6730 11068 10206 8784 11771 7306 1 1 6759 12311 1 11434 1 1 10792 1 18858 13496 9989 1 9139 C42 H85 S 9288 15094 12247 12191 11121 13815 12912 15311 11476 11223 1 11604 11334 14095 10575 12071 12407 22471 12836 13004 11149 11517 12289 21393 9454 C10 H2 Cl2 N6 O2 S5 10344 13767 17165 19336 15189 14898 15867 19535 21039 14202 1 18593 16639 13330 16450 12006 10846 1 16292 15416 16028 16464 19803 1 19795 > limit Esi-0.8419998 :42 18956 20748 21070 21507 19257 17524 17586 18874 17492 17352 1 16952 18992 21180 22086 21033 17535 12079 18537 18308 22043 22102 22344 8111 16546 593.1549@0.9129999 1 1 1 1 1 18123 1 7593 1 1 1 1 6504 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8450001 :1 18119 17535 19564 16561 15449 21208 16693 22596 20405 17386 1 19261 19921 18595 22563 20186 16403 1 21126 20732 20173 18163 23742 1 20655 334.1025@13.979001 1 1 1 7359 1 17547 1 9848 11867 8340 1 1 1 1 1 1 8930 1 1 1 1 1 1 1 1 C3 H4 O2 Esi-1.2250001 1 24848 93141 21915 17157 18123 20304 22346 1 19597 1 15813 21556 98739 27067 39719 1 7754 24939 1 21425 28473 10609 16019 14144 Esi-0.8450001 :2 7044 6556 13644 14685 11745 11308 8691 14194 16190 8425 1 15994 16314 9898 13449 10774 7760 1 10717 8130 16114 12200 17849 1 23405 > limit Esi-0.94599986 :1 15918 13827 11837 18050 11152 11858 13869 13860 1 11774 1 12176 8434 11170 15998 9376 12314 1 19309 19872 8057 10157 12747 1 13374 > limit Esi-0.847 :1 14546 12316 18938 13436 14228 16794 14928 20610 18125 14044 1 14023 17526 12404 18402 14803 1 1 15695 14314 15963 14143 17299 1 14586 C11 H6 N O13 19094 18226 17758 17917 15794 18136 16478 17285 18665 17828 16149 19759 17968 20709 18024 18367 19466 20741 19002 19616 17798 22247 18516 20548 17274 C28 H31 N5 O29 Esi-11.895001 13053 17027 14976 34210 20471 18129 82000 70833 70804 17608 12573 10937 20252 22367 18258 15066 81011 13623 25321 17782 15147 16642 17562 20644 20679 > limit Esi-0.8419999 :5 23714 20672 15445 15889 16428 18359 21186 13695 15278 21075 1 12290 12190 21124 16109 22533 21564 52513 17582 19320 15988 16335 11582 53052 1 Esi-0.78800005 8131 21124 10550 10583 1 17570 10175 15790 17393 10822 1 1 13058 14035 12393 19587 7093 1 16442 10273 10449 6308 12080 1 13660 C55 H114 Cl2 N5 O3 S 16191 18673 21978 18374 21609 17865 19081 19518 17487 18030 1 20238 17059 20058 21186 20730 18779 7409 20286 18025 19569 20652 17987 7494 15209 Esi-0.84700006 :4 9994 11407 13173 12609 11393 13412 14129 13619 10602 11754 1 13592 12870 12155 14791 12194 13482 17044 12095 13044 13340 11874 11733 17862 12672 > limit Esi-0.8450001 :2 9710 10976 12774 13590 11953 11737 11245 14242 13963 11223 1 15171 12395 10936 12636 11991 10864 1 13284 11067 13858 11566 14429 1 14075 C21 H15 N8 O12 Esi-13.762271 38072 36957 37903 52788 18111 48920 23012 37525 73488 21322 1 47046 50496 35176 36482 32432 34212 48038 43765 37442 51408 48122 26808 1 1 Esi-0.86499983 :23 7582 11851 16033 13434 10374 13373 11548 17035 13053 13654 1 11462 12960 8702 10893 9207 10093 1 14616 9284 9983 8560 13397 1 11903 C32 H32 N4 O26 13069 21454 48399 16180 11505 29235 13860 18240 17312 11606 1 13426 12027 12756 14672 15744 20660 17659 13783 14597 17462 18124 15369 15183 14827 C31 H14 N9 O11 1 8264 9226 1 6486 16714 7944 15035 22394 12812 1 1 10787 12939 9155 11472 1 1 12725 1 9837 11534 16507 1 12182 > limit Esi-0.8439999 :2 15756 17121 15385 18016 18174 17579 13287 16501 15434 16842 1 15704 15773 16705 16078 18726 16073 7179 18355 19133 15661 16566 12170 6668 11907 C9 H10 N3 O9 1 12369 12555 14457 7090 8358 9502 15728 10558 20217 1 1 15682 7382 16050 13600 14429 1 16521 6160 13867 11943 19279 1 9303 Esi-0.87399995 10337 11109 8956 9294 9716 10421 9501 9737 7568 9160 1 9413 7687 8648 9255 9400 10110 25499 9079 10002 8294 8972 7163 24912 1 Esi-0.9160002 46701 24963 21299 25443 22262 17001 20263 1 21791 24248 1 20230 16899 21023 20539 26804 22254 26110 14861 26135 21448 24520 16741 28701 1 C40 H38 N15 O4 11307 12560 13999 15494 12098 13326 13241 14238 15607 14248 1 15942 14525 11308 15224 13475 12265 6747 13855 12279 15022 14167 15607 7959 16918 > limit Esi-0.84600013 :8 9861 12022 9740 9455 11900 10982 9769 9319 8983 9757 1 10384 8136 10944 10289 11201 10884 11339 9516 9996 8748 9357 6617 11180 7382 C13 H10 N O6 22473 14445 13026 15313 1 20563 1 15157 7209 10392 1 1 11805 9185 12265 8818 15461 1 15413 16293 9385 13995 19083 1 7213 310.2145@8.608001 76129 1 29008 44497 1 16083 1 31516 13682 1 1 29141 41651 13319 32468 21108 1 1 32936 52965 1 27197 1 62120 13176 > limit Esi-0.8419998 :43 16934 16438 15368 13887 16889 15963 15711 11548 13378 17612 1 11984 13467 17465 14665 15894 18392 11662 15188 16780 13714 16256 9650 10948 9794 > limit Esi-0.8419998 :44 16591 17110 21056 17400 18362 18051 18281 19778 21032 18746 1 19938 18729 17674 20639 18537 17498 8304 18312 19977 19947 18448 21935 7829 21608 C6 H Cl3 N O S4 12789 14802 12792 15535 13925 13026 12790 13741 9680 13066 1 15218 9840 13546 10277 12406 14736 18341 12419 14051 10902 9831 10431 22281 8884 Esi-0.905 1 12711 15445 10015 12719 13238 12054 16201 14054 13737 1 13302 13027 9438 12373 9406 8374 1 20233 8146 14460 11628 17654 1 20382 Esi-0.86300015 :11 8558 11567 12501 10390 9464 12191 11102 12042 10060 10533 1 11054 10851 10237 10584 10689 10169 20881 11316 9828 9131 11355 10663 17904 11159 C25 H19 N13 O18 44768 22547 25807 24251 19592 77184 75184 17676 63246 73496 13857 29449 20220 30144 29815 28238 29121 51625 40328 53539 66032 1 32720 28808 34400 > limit Esi-0.845 :1 17242 19592 20792 18669 18873 21266 17675 19539 17310 18096 1 18417 16263 21542 19436 21556 17807 6470 19881 20757 19369 19415 17421 10579 16858 C13 H26 N3 O14 10310 11981 18752 9566 11759 10399 12625 11516 13014 11817 1 12451 14161 13668 11647 13468 17645 16681 16655 15055 12145 14563 15098 15554 13469 C12 H18 N9 S 10257 10211 11743 12917 10307 11926 10135 11651 11868 9076 7609 10851 11554 13728 12939 14108 14065 19089 15927 15592 16572 16394 13874 14197 13241 C7 H6 N2 O6 Esi-13.626004 15631 9826 8112 6360 9609 35311 28173 27852 10382 29517 1 31228 20853 12053 33802 40816 26335 19065 19848 22085 16892 18376 21616 11938 19008 C3 H6 O 12006 20089 18801 17632 20940 23212 22432 21895 19646 9629 1 20157 19042 20788 18515 15752 16311 19924 21266 18995 18471 21187 10593 20030 24794 214.1201@7.4879994 17624 1 1 15081 1 21028 1 10647 8597 1 1 1 1 1 1 7823 1 1 10078 1 1 1 1 1 1 453.1434@7.603 1 1 1 1 1 10656 1 1 14099 9225 1 9479 1 1 16051 1 1 18367 9477 1 1 1 12563 1 1 Esi-0.84700006 :5 9650 11085 6543 7290 10370 11154 8291 11320 10170 8867 1 6661 8005 10233 9931 10917 7430 1 9463 10390 7508 9028 9563 1 6458 C5 H10 O5 Esi-0.9290002 13123 15847 14529 11761 18727 11196 17677 10407 13163 13562 1 14861 9340 12068 18756 31221 27956 16195 11799 11375 18631 15081 12466 12464 10422 > limit Esi-0.8450001 :3 18251 19452 18621 16721 17793 21110 18626 19995 18018 18129 1 16595 20550 22440 19705 17319 16074 1 20161 21084 17651 20173 20270 1 17299 272.9351@0.89599997 1 12291 13948 11783 1 15035 11101 13413 13513 1 1 1 10737 7335 11019 8542 7937 1 15137 1 1 10282 12452 1 11893 > limit Esi-0.8439999 :3 13868 16608 19145 15853 16476 14980 15906 17584 15858 17175 1 16906 17092 16338 17535 17334 15998 6727 17296 17882 18163 16976 15753 6423 14013 C20 H30 O4 Esi-9.884001 9546 9570 37577 50498 1 131186 1 78242 28938 1 1 34367 74158 28341 34960 66603 48453 33629 110745 38718 25408 31067 1 49250 14046 C8 H11 N3 O2 Esi-13.362 22325 18698 29411 43483 16102 71408 39120 37613 60583 28835 8988 22576 34626 21177 34462 33130 49621 25100 27695 15751 16972 22314 24806 16988 16678 C33 H2 Cl3 N2 O21 13621 17970 18229 16086 19083 19109 14991 20528 21714 16851 1 20508 20404 17259 21078 18235 14824 7349 16876 15598 18060 18981 20844 7263 20828 Esi-0.86600006 :1 1 1 11657 12788 10450 11728 9930 12963 10424 6944 1 11753 9786 9349 13981 10565 8332 1 8238 9454 10097 8268 11781 1 11829 334.2141@8.911:2 40523 1 32239 23942 1 162195 1 50484 1 1 1 1 49100 1 1 26914 1 1 47754 1 1 1 1 21572 1 C21 H22 N6 O20 S 1 13479 12964 1 11169 19141 11541 20188 22096 17756 1 1 11108 17563 13506 9109 10689 1 18354 1 11039 13471 17441 1 10786 C19 H27 O23 36584 7472 27475 7158 7311 19534 7773 32070 8442 14836 11053 18967 1 25594 18529 8982 36304 41052 30189 29244 7045 27555 29058 28486 7956 C9 H8 N6 S 22528 27210 27841 22949 24719 26070 27371 23382 22134 25365 1 18726 26366 26301 31704 39400 11794 32140 25159 24366 27113 28558 27488 30896 20979 C28 H41 N14 O15 Esi-11.652004 44077 33514 38043 73658 18567 6732 53241 79010 129569 41026 1 46916 58414 24111 60586 79142 137610 85506 71385 52106 56431 67382 40890 44702 48414 C10 H23 N12 O4 1 8381 10591 1 8608 11986 10113 12044 5758 6030 1 1 10395 12792 10085 10291 12992 16472 14381 11127 10015 16609 17255 16006 18263 731.3385@0.842 9020 9120 7988 1 9117 7855 7695 1 1 9322 1 1 1 8459 7214 7199 8354 9735 1 8692 1 8872 1 8215 1 C6 H3 N O5 S 19389 18407 15965 20816 14824 20029 17839 17228 17682 16692 16689 15184 19252 22037 20673 18292 21312 19319 20023 19218 17520 18132 17868 17624 19639 C3 H8 Cl N2 O2 S2 16943 22101 27215 11141 11594 23016 19733 1 12404 24664 9779 17614 22551 24821 19414 13251 23152 11928 17939 10808 25013 14543 27792 15477 14236 C9 H11 N4 O9 13042 6201 1 1 1 9936 6505 10800 19562 1 1 12787 9670 11235 10637 6189 6153 10022 9081 10826 9299 11241 9267 10326 6069 > limit Esi-0.941 14454 12737 11081 13408 10125 10500 11920 10894 1 10392 1 18370 12635 8935 11082 10635 11639 1 18987 14484 9921 11744 10162 1 15113 C36 H8 N2 O16 12465 10738 13141 11620 12670 12334 9811 13714 16121 10317 1 21871 11550 1 13247 8979 13499 1 16866 11517 16070 14057 13822 1 25699 C42 H54 Cl N12 O S 16515 21600 17850 19254 18077 17415 20563 16145 11317 17470 1 15443 16517 16657 15421 18089 18644 18428 16213 21400 13557 15884 11243 17669 10353 > limit Esi-0.8419998 :45 17277 19232 17238 14879 19496 16316 18816 14390 11556 20439 1 12051 12658 21049 17945 20466 21067 14761 17430 16124 16912 18905 11001 13271 11178 244.2039@11.581 1 1 9779 9702 12913 17743 9469 1 19337 1 1 1 17525 1 1 1 11567 13854 15213 1 1 1 14524 1 1 96.0322@1.184 12154 1 1 1 1 21814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.9389999 11611 20261 15965 10526 12557 18213 15698 17588 13317 17801 1 10273 12633 17967 16432 15757 13524 1 23786 11663 12494 16343 20061 1 16208 C13 H14 N4 O10 S 16217 12456 13443 7649 9111 12248 15868 1 12596 9404 1 9530 8451 7493 10303 14124 8240 11676 19163 18222 11096 10751 16089 14094 11034 C13 H4 N5 O6 S 20925 16177 18464 18274 17791 19141 19090 18696 17479 17751 13879 18721 18039 23513 17978 16414 17361 21849 18006 19336 17268 17866 16557 19906 18790 Esi-0.8600001 :3 10060 11598 11776 10361 9614 11908 12101 13282 11527 10028 1 11511 11066 11034 11493 9964 9407 17469 9731 9475 8820 10426 11519 15354 14032 259.0606@1.0130002 1 10017 10268 1 1 13254 1 1 13824 10389 1 1 10407 15441 13696 14463 11430 7024 16598 19031 21477 15320 13893 1 15071 > limit Esi-0.8419999 :6 14817 16037 22489 19713 20145 19171 16652 18455 19259 16417 1 19141 20564 15780 20716 18966 15844 1 18142 14327 20557 17617 20808 8633 20046 C4 H Cl3 N3 O S4 14832 15841 16366 14051 11667 14255 17030 15611 14917 15147 1 14769 13341 15392 13744 14114 13856 18219 13964 12070 11681 11521 13064 17337 10644 508.3593@13.379 1 1 1 12051 1 30647 11308 1 26370 1 1 1 1 1 1 1 20384 1 1 1 1 1 1 1 1 C7 H2 Cl N4 S2 177102 224305 212618 193704 184481 209105 204888 209814 182819 208290 1 192509 186709 197212 192591 187584 179220 200899 190021 177440 178246 179981 182225 195761 162946 830.2766@11.653 1 1 1 26012 1 43113 1 25221 45467 1 1 1 19256 1 1 24567 43418 26999 20981 13182 17310 20283 1 1 1 272.2349@11.876 1 1 1 1 1 41895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50130 1 1 1 > limit Esi-0.84199995 :8 14966 17913 16695 18279 16582 16429 14249 17479 17072 14865 1 15310 15602 14122 19250 16908 16222 1 17384 13534 17640 17758 16750 1 14805 805.5802@13.044 1 1 1 1 1 129107 119814 9951 1 1 152211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H3 Cl2 N2 O9 S2 17933 17098 16714 17293 16902 16474 16806 13034 15268 20903 1 15373 13520 17247 15133 17805 16420 18072 14945 18483 12888 13277 12599 20183 12223 C47 H83 N7 O4 20695 21479 21166 23000 16352 18064 21372 20173 7338 20819 1 14944 13734 14893 21756 12862 16608 14311 21099 21163 10177 13678 15414 18630 14501 Esi-0.866 :2 36460 26598 42152 44953 26080 31763 24427 39549 37587 26178 1 38236 29834 24198 49024 35196 37287 10675 26177 32130 1 28989 1 15686 44718 > limit Esi-0.84600013 :9 10283 11095 15751 15478 13280 13927 14365 16646 14851 13020 1 13589 13698 14654 15196 12499 14696 12274 14463 13064 13359 13378 14889 10625 13175 Esi-0.866 :3 10021 11071 14327 17487 11373 13344 11845 20586 15083 11988 1 16776 15817 11394 16685 10683 8781 1 12514 11777 12837 13030 17479 1 17055 C28 H43 N13 O20 Esi-11.648999 42388 33045 34202 74331 19095 9081 53234 78739 129579 39710 1 46435 62297 27458 59149 77995 131874 90158 73824 53355 60613 71299 49051 45241 57580 C18 H30 N3 O5 14147 20096 16296 67832 1 86061 1 36615 1 35955 1 29704 52393 84806 23974 18029 23479 57285 46650 29033 28738 26986 1 31614 16728 1210.2578@0.842 8682 8898 1 1 6613 5959 6683 1 1 7700 1 1 1 6468 1 1 8073 18300 1 6774 1 1 1 17232 1 > limit Esi-0.845 :2 14402 15912 15651 15024 15786 18104 16593 14602 12919 16958 1 17818 15245 16063 15817 17848 16394 7414 16055 18063 16805 16319 14829 6972 12619 1041.2504@11.133001 1 1 14827 1 1 19484 12481 14586 20604 1 1 1 1 1 1 1 22484 21781 15901 23520 1 21299 17738 15116 16413 C42 H64 Cl3 N4 O4 S 12461 16399 19325 18002 15225 15129 15438 17408 14695 13266 1 17838 14659 14886 14191 14467 14253 1 14856 14472 14174 16476 14766 1 14104 Esi-0.84199995 :4 52269 56782 71790 72601 61317 68622 58872 81595 83293 59573 1 82987 81416 65642 76696 62027 52310 1 72252 57779 82263 70469 83438 1 105422 Esi-0.86700004 :21 6558 12337 11551 11481 9679 13027 10454 11774 9900 13830 1 10104 11999 9496 10516 11776 10114 19209 11973 14322 7328 7569 10946 16464 8061 629.9842@0.85400003 1 14975 1 1 1 15440 1 13137 12725 20204 1 1 1 13471 1 1 1 1 8746 1 1 1 13150 1 1 > limit Esi-0.8419998 :46 23413 20672 15445 16381 18384 20465 22522 17668 15278 20685 1 13619 14721 21771 18631 22533 21564 42436 19230 21337 18747 21245 15677 41802 14962 326.191@12.945 1 1 1 1 1 10798 1 1 9376 1 1 1 1 1 1 1 6485 1 1 1 1 1 1 1 1 C19 H21 N7 O18 Esi-13.56611 17582 19437 1 8368 1 6962 1 34844 17590 24762 1 33239 19036 29101 14591 11450 12764 19247 19567 20999 35912 16746 1 1 1 > limit Esi-0.84700006 :3 19332 16881 21188 15909 17984 19881 21204 18375 18381 17646 1 15540 17648 17828 20359 17555 15902 1 19337 18517 16152 16460 18033 1 17263 C45 H41 N10 O 12329 12411 10456 12472 8836 11456 10704 12760 11402 10185 1 11389 10998 12230 12214 10075 10315 1 10939 9984 10199 11502 12724 1 9111 C30 H30 N3 O17 Esi-11.2890005 47359 1 28019 29361 1 37932 1 32670 18227 1 1 16738 32306 1 14918 21154 24393 13037 29027 15638 1 16128 1 20560 1 Esi-0.86400014 :7 10469 11315 15201 15838 13327 14588 13976 15442 13317 12088 1 11940 14024 12616 13040 10755 10493 1 11824 13511 11531 10663 11471 5467 12128 C16 H24 N3 O18 Esi-11.119001 55140 8661 34302 10997 10042 16790 11129 57104 12023 11252 9267 27259 10740 10758 47157 11475 16611 16616 16812 14720 55580 13285 9967 13177 113038 Esi-0.85300004 :1 12037 17434 17336 16536 14114 19354 15778 18434 16681 13882 1 15563 15533 16508 16362 14714 12997 8924 15459 15118 15429 16247 18791 1 15954 C25 H20 N12 O17 Esi-11.905 :1 77949 54858 103087 67073 74890 154527 70145 95779 136393 96729 87729 54126 102654 115074 96537 107803 107463 98981 110542 69817 24665 37590 77283 90906 91677 970.1333@0.9480001 18147 13798 10156 19205 6144 12849 13790 12932 1 14247 1 1 6624 11194 14290 8316 8261 1 16015 17948 1 6538 10703 1 1 > limit Esi-0.8450001 :4 13624 15592 18564 16972 15369 19243 17021 17847 18196 13689 1 17155 18731 18569 18494 18002 13832 1 17833 15803 19851 16304 18948 1 20030 Esi-0.873 12611 12845 9735 16044 6725 11401 10842 14500 5777 13848 1 8789 8681 10753 13384 7057 10953 1 12002 12524 6958 6491 11363 1 1 610.1156@11.626 14670 1 30385 1 1 20904 1 12607 25302 1 1 1 1 1 29983 25275 59601 24521 1 1 1 30588 1 1 1 C29 H25 N5 O27 53498 20351 27161 46731 23720 41616 63865 40670 41478 63333 21983 29007 30678 27158 28855 34103 45521 36186 27878 21074 32144 18198 36633 31822 68840 649.3192@9.109 1 1 1 10470 1 11410 1 16634 10582 1 1 1 1 9325 1 1 13405 13174 9271 1 1 1 1 1 1 253.8909@0.89200014 1 1 13095 18618 1 10636 1 9135 1 6427 1 11344 9272 8474 20220 1 13795 6613 9711 7493 1 1 16331 13958 11093 C31 H57 Cl3 N5 O8 10209 9247 10598 11026 10245 10365 9582 8620 9100 9149 1 10096 9507 9335 9264 8731 9501 1 8961 8424 10193 10504 11441 1 9253 924.0639@12.757002 1 1 1 19014 1 30941 21781 16121 28716 11219 1 1 1 1 12340 52738 29411 18248 16278 1 14718 15631 1 13063 13666 > limit Esi-0.84799975 :3 11619 14525 18253 17484 16518 15601 14038 17559 17286 13820 1 18879 17096 14839 16954 13564 13104 9375 14452 15215 20517 17666 16308 9735 20965 C18 H18 Cl3 O19 S4 17900 18660 15643 15883 16611 15462 17834 15435 13915 16994 1 14212 14030 16841 12467 18142 15968 9645 17382 16788 12425 15434 13791 8484 11267 > limit Esi-0.84300023 :3 14469 15582 14551 12995 16655 13923 16956 12418 14699 13488 1 13556 12492 16200 14948 15461 15703 1 14820 14916 14641 13884 12113 6653 12758 362.2452@9.818 164852 1 62608 1 1 92200 1 77706 1 1 1 1 114699 1 29646 1 37369 1 69000 1 34208 1 1 75154 1 323.9884@5.285 20685 1 1 1 1 18397 11260 1 1 1 1 1 1 1 1 1 1 1 1 19795 1 1 9191 11276 1 > limit Esi-0.8460001 :4 18186 18752 13044 13962 16169 19870 15703 16206 12802 16592 1 17193 18427 23765 14949 18326 17086 1 17920 18228 12473 16877 18309 1 10211 C7 H11 N5 O4 Esi-13.605827 130029 96932 32444 65233 30374 101424 55711 133523 27326 70429 1 10237 86835 251904 86945 70148 55969 148148 51385 34156 86851 54974 49334 1 81626 C8 H10 N2 O9 19385 15097 1 13650 9799 13018 16862 17194 15191 9370 1 9913 16791 14354 15944 20949 1 1 14351 1 14278 14135 9815 1 11134 438.2233@8.289 1 1 1 1 1 54587 1 1 1 1 1 1 1 1 1 1 47303 1 24671 1 1 1 1 1 1 Esi-0.8630001 :2 11008 9999 10578 8173 8484 11223 12001 10493 1 9763 1 7586 9077 10213 9277 9075 9273 17095 10814 9115 8376 9376 7700 16232 7100 Esi-0.86599994 :9 12549 19207 19563 19632 14956 16539 19287 18605 14002 17768 1 18369 15499 15948 15355 15810 15624 8904 17867 17171 12741 15532 15423 7624 13604 258.9448@13.365 1 1 1 1 1 49094 1 1 14474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H7 N5 O3 14617 23440 16362 8888 9586 8172 11765 8794 14529 11062 1 6855 8091 17367 11522 18732 18338 19089 11431 10461 10856 16226 6505 22973 12253 243.0551@1.0170001 8379 10682 1 7577 8339 14398 1 11048 16353 1 1 1 9184 1 12536 11122 8327 1 11174 1 14622 10756 1 1 1 Esi-0.84899986 10903 11310 9755 12688 11907 10514 12995 14825 11731 8875 1 10636 10686 10448 10909 11044 9406 7482 10660 10181 9278 9554 10937 1 9913 Esi-0.7910001 :1 11393 20853 14955 13895 14596 18267 18624 15020 17524 18603 1 11444 16896 18343 19179 10602 14224 1 20225 13036 14395 16959 17767 1 12861 > limit Esi-0.8439999 :4 13497 13549 11480 8587 12951 11454 11218 13630 8732 14310 1 9481 9947 10759 9684 12678 11897 16984 11665 12218 11113 9624 10173 16346 8081 C26 H37 N7 O2 Esi-11.707 25040 20096 54183 94341 9548 142134 30319 35441 83329 16894 1 25194 14835 13076 42703 52432 68569 24713 19421 66366 1 20303 14744 24018 20717 Esi-0.85799986 :11 12593 14729 20669 10641 14026 17663 13447 15526 18092 13383 1 17782 16428 15939 14152 16643 12032 7256 14387 12394 18434 15752 22628 1 22241 C3 H3 Cl N4 O 1 1 1 14501 1 16709 12470 1 50895 15810 1 9220 13419 1 18339 14688 14474 10375 8034 12802 10719 12769 14093 1 13991 C28 H47 N18 O2 S2 10267 12730 12493 12217 12009 9544 11133 11233 11295 11057 1 9746 11218 11115 11760 11204 11879 6641 11257 10178 12086 10413 11025 8254 9704 296.0121@0.9650001 1 9871 18912 12880 1 10011 1 11692 10117 1 1 9363 10290 1 11411 1 1 8681 1 1 1 1 17508 1 1 Esi-0.8719998 :7 14817 17440 17638 17019 13513 13864 15449 17099 12521 12604 1 15385 17262 14160 15278 15984 15399 10498 15051 17284 15951 14718 15045 10877 13067 777.0955@11.852444 1 1 1 45569 1 15810 1 31319 48134 1 1 1 28478 1 1 29628 57789 10936 1 30827 1 1 1 1 1 Esi-0.867 9741 13651 14013 12552 8997 13962 11360 15550 13609 12255 1 12168 12864 12515 14728 10600 10114 1 12145 9953 11083 10071 12970 1 12796 369.8631@0.88 1 1 1 1 1 6788 1 1 1 10771 1 1 1 6299 1 1 1 1 1 1 1 1 10759 1 1 184.109@7.7149987 1 1 55361 1 1 36464 1 24329 22441 1 1 19238 1 15191 1 21038 32320 24165 21919 22139 9605 11172 1 1 1 Esi-0.9829999 :1 32167 15753 18040 49315 19245 9121 16366 12575 1 11875 1 81330 15886 1 16767 11306 30388 35535 11050 46709 1 14223 1 30306 1 > limit Esi-0.842 :3 19854 17513 15015 15988 15552 19902 16332 1 1 17385 1 13319 1 16988 13821 15159 18749 19464 1 18130 1 16924 1 18377 1 Esi-0.85099995 18910 6822 7239 8296 6735 8923 9205 12963 8659 10707 1 1 9190 6190 5936 5006 8907 1 6528 6992 7176 1 6484 1 9442 C23 H29 N3 O20 S Esi-11.585003 24797 82169 26032 64538 144990 26016 31558 24833 39357 47004 93517 59100 55698 147722 118326 34878 62317 46575 39304 83487 64940 48300 79344 40563 81201 445.8017@0.8730001 7015 8754 9107 10676 7977 12905 8114 1 7201 7300 1 6861 1 7901 6857 1 7974 1 8353 7538 1 8434 9391 1 1 403.8314@0.8780002 1 7809 10515 1 1 6658 10749 6967 1 8001 1 1 1 8979 9222 1 6697 8243 9614 9800 1 8428 8055 13511 7547 C22 H6 N O26 Esi-12.949998 15420 1 23330 8556 1 151450 133692 36715 122166 34338 1 38016 20060 1 26699 19218 111918 30581 26974 1 1 31627 35350 33064 1 > limit Esi-0.8489999 :2 18123 15561 19334 19282 19233 19044 18468 18252 22046 16658 1 20621 21648 15958 19388 12753 13682 1 19982 18404 17153 18254 19574 1 23760 C4 H6 N6 O3 Esi-3.727 35171 1 18333 23730 1 23118 22033 1 18054 19175 1 13623 19737 17977 13995 22081 19750 19698 23733 22645 12444 21451 23991 16618 14710 Esi-0.8460001 :3 10610 12975 16937 15387 14078 14385 13392 16242 18009 13596 1 18121 15245 13722 14072 15848 13144 1 13915 14709 17620 13610 14826 1 16032 136.9777@13.385999 1 1 1 1 1 36781 1 1 35793 1 1 1 1 1 1 1 10402 1 1 1 1 1 1 1 1 C36 H27 N2 O28 57223 18340 57305 45678 26602 32051 50924 54974 31314 55287 40820 30721 61843 37364 37551 35907 30977 40412 78839 40110 36413 45629 47706 46290 34264 214.0219@13.361 1 1 10167 25120 1 57763 17357 16560 38151 1 15141 10964 11932 1 17984 10797 27108 1 1 1 1 1 1 1 1 Esi-0.8419999 :1 18036 17037 20056 18132 14720 18087 15834 18953 19326 18546 1 17037 18367 16187 18277 22293 16920 13851 18408 14072 19811 16052 21767 1 19634 C8 H16 Cl3 N2 O2 6829 15868 9551 13845 11006 8700 11238 12604 1 12367 1 12400 8179 8723 15244 9646 12934 10262 10901 10709 1 10630 9603 15016 1 153.0096@0.97 1 1 1 1 1 17031 1 1 11729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.0982@0.921 8457 1 1 1 1 11826 1 6538 11571 1 1 1 1 1 1 20604 1 1 1 1 1 1 1 1 1 C48 H95 N13 O4 7661 8390 10919 14115 10227 9332 11502 1 17367 8873 1 16242 12008 10399 1 12298 10149 6868 1 6513 11717 6570 1 5391 18229 C46 H45 N6 O3 11947 13354 13001 11685 12265 11673 11216 11821 10808 13402 1 11473 10181 11682 12097 11302 12585 1 11496 10574 12272 10530 10800 9289 10762 605.332@9.611 12004 1 28574 22830 1 32156 1 30365 13959 1 1 12931 21345 17352 1 24181 51945 24898 35863 1 1 1 1 18487 1 Esi-0.86599994 :10 9568 18604 9725 10724 18308 12400 17574 9592 8639 14336 1 9793 9780 11191 10850 9712 9897 17613 9450 17627 9395 10279 10739 17261 5948 330.2406@8.69 1 1 42212 18825 1 21147 1 1 8930 1 1 67122 1 1 74642 1 1 1 1 1 1 1 9262 1 1 C33 H5 N O8 S5 15954 14598 12229 11204 10997 13794 12967 13367 9752 16613 1 10089 10698 12348 12100 12377 11713 18025 11455 11332 11764 13210 11451 21081 10707 Esi-0.87000006 6453 8235 8999 8992 9416 10643 11259 11264 8679 9472 1 7487 6911 7400 7216 8020 7515 1 9563 7651 9112 8726 7587 1 5623 > limit Esi-0.8419998 :47 16431 16156 13489 14139 16319 15896 16117 13621 11795 16477 1 12165 14097 14957 13501 18615 17186 24012 16914 17373 15385 14473 13462 22488 14369 C15 H13 Cl2 O5 S 1 13201 14140 13984 15646 13630 1 14227 17700 16118 1 1 1 12678 16477 18585 20601 1 10016 20262 27948 16373 12649 1 13635 Esi-0.8500002 :8 21320 16485 14243 12466 10419 19236 16677 17931 15879 18179 1 11475 15689 13500 18883 11814 14036 1 13513 14077 7532 9047 13436 1 9402 > limit Esi-0.8419998 :48 15095 13846 15094 15178 15411 14074 11970 14888 12844 15536 1 14326 12717 12389 16638 15029 14807 15490 14646 13832 16748 16116 15996 13181 13496 C22 H25 N10 O13 S Esi-10.194 14807 14348 12376 6672 9116 6735 17358 180450 10622 9316 1 8576 8343 8262 9670 12650 7056 10852 20301 19312 11435 14939 13188 14961 14610 316.2037@9.871001 14808 1 1 7152 1 17470 1 10077 1 1 1 1 1 1 1 8767 1 1 9552 1 1 1 1 1 1 326.1917@13.623 1 1 1 15502 1 12450 1 12050 12008 1 1 13182 1 1 1 9777 12834 1 1 1 1 1 1 1 1 C8 H12 N3 S 1 15635 13753 11701 13138 11433 17004 8625 13509 9928 1 11022 11203 12313 11193 26888 1 10667 1 1 18057 10606 11854 11514 8976 > limit Esi-0.8419998 :49 16591 17110 19059 17400 16705 18110 16560 18927 19780 17213 1 21148 16770 19003 20639 19061 18231 10883 17166 18347 19947 17704 19817 8293 19345 C19 H25 N3 O2 33817 19621 38701 33799 35558 37087 32711 34133 22345 32174 34167 35017 30853 35511 35222 36191 36845 33393 41112 49854 58611 38043 36393 36141 38963 C13 H2 N2 O14 S2 16949 16931 18250 19539 15852 15526 14786 17598 16843 16448 1 16385 19682 15833 16959 14488 13954 6852 18580 16960 14990 15107 17544 1 14943 Esi-0.8799999 :6 13197 16562 17889 19206 14401 15426 18749 15848 12162 14244 1 16515 15069 16083 16644 16688 15911 11843 14266 18235 13008 14841 14118 11113 12114 C18 H8 Cl N5 S 9721 9043 13647 12374 1 10463 1 13066 1 9497 1 10730 1 8489 12152 1 10331 6595 10616 12159 1 10881 12976 7617 12059 > limit Esi-0.8450001 :5 20579 17596 16836 18622 18907 20049 17747 17643 16731 18573 1 17344 15474 19688 19179 18033 17023 1 18867 21418 16777 18131 20422 1 17522 405.2159@11.754999 10045 1 14312 1 1 12234 1 6149 1 1 1 1 7479 6186 1 6826 16687 1 8719 1 1 1 1 1 1 C3 H Cl3 N O5 S3 24203 13442 10659 13532 11580 12608 14045 13644 9142 14096 1 10542 11962 10178 12161 12774 13421 1 11738 9771 8025 10779 9868 1 7210 C30 H22 N3 O17 Esi-11.628999 63637 47917 65051 56899 33581 85183 58545 61914 87014 44160 40548 54566 60726 40700 52312 57377 70009 55950 57042 32640 52131 43284 42035 41106 50778 983.9946@13.539501 1 22045 17480 1 21068 29183 1 21350 1 19950 37622 16107 1 1 1 12300 14709 1 15711 19867 26392 28746 22189 1 19986 C35 H77 N23 O4 18738 17823 16190 20922 12360 17464 18931 16456 9343 19709 1 13027 14406 13175 20372 14031 13135 15980 21362 20532 7862 13889 18763 20402 11385 Esi-0.868 :3 12821 16944 15856 15832 14393 16026 18667 19640 13809 15243 1 15499 14908 14740 16058 14090 14807 6754 16052 13969 12075 12868 15673 6908 15057 389.2174@12.834 1 1 7253 1 1 16327 1 1 7166 1 1 1 1 1 1 6592 10850 1 1 1 1 1 1 1 1 232.1309@5.922 9269 1 1 1 1 18991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.8729999 :3 9251 12015 9652 8894 9362 9546 12161 9732 7762 10017 1 9916 8765 10483 8929 9549 9748 18590 8627 10721 7195 8199 8548 16527 6830 Esi-0.8710001 :11 9270 13076 12745 11987 10615 11911 12705 11820 9997 11431 1 11180 11212 11235 11644 11513 9563 6485 11945 10794 9530 10898 11336 1 9542 135.0794@12.949998 14945 1 14709 21503 1 112002 22565 23895 27032 16047 1 1 9842 1 18120 10492 39016 1 11103 1 1 1 1 1 1 354.2398@7.9080005 1 1 6441 1 1 15358 1 1 1 1 1 1 1 1 1 8634 9854 8195 7661 1 1 1 1 1 1 120.9538@0.922 8102 13287 8747 8843 1 13276 1 6817 1 11345 1 8589 1 1 1 1 1 21906 1 11359 1 1 1 25406 1 354.0996@5.288 18887 1 1 1 1 17367 10133 1 1 1 1 1 1 1 1 1 1 1 1 18047 1 1 1 10611 1 > limit Esi-0.8450001 :6 19296 18573 16584 20086 20543 19315 14799 20923 18910 17429 1 16620 19486 20235 20012 17943 17714 1 19002 19303 19661 18139 21499 1 19026 362.2057@11.491 17798 1 1 6825 1 14470 1 1 1 1 1 1 7851 1 1 1 7672 1 1 1 1 1 1 1 1 C16 H28 N3 O19 12714 13246 13679 12352 12757 12572 11879 11094 11981 12848 9714 12904 13651 14428 12931 12093 13360 14579 17435 13479 13367 14056 14957 15859 16148 404.2407@5.636 1 1 1 1 1 21267 1 13036 1 1 1 1 1 1 1 23152 10623 1 11350 1 1 1 1 10895 1 Esi-0.9540003 18299 13694 10411 14588 8505 11901 12840 12518 1 12244 1 9977 7668 9637 12554 1 11192 1 16417 17536 1 7413 10042 1 8671 C7 H N O9 7523 11427 16942 14808 1 14522 1 15199 14855 9625 1 14979 10408 11011 18841 8424 9018 6286 12681 1 7575 11071 15269 1 16880 174.0526@3.049 20235 1 1 1 21788 25418 18122 19089 1 1 1 11825 24916 27446 17250 26886 25179 24571 33516 25874 27191 25080 1 15280 25428 Esi-0.8560001 :1 9376 10080 16039 10346 9194 13896 9949 12356 16932 8581 1 13872 12440 11565 13027 8002 8032 1 12812 9733 9181 11609 17333 1 20182 C7 H13 N7 O3 Esi-1.2819997 :1 16713 29738 96564 30239 36045 49783 60130 79039 53344 51096 1 11857 68785 84086 16153 29449 47381 31807 100328 70761 87293 138447 209927 55348 52117 > limit Esi-0.8439999 :5 19914 20768 13695 14675 15056 17415 16832 12576 12470 17736 1 13419 14168 21065 14949 18606 19154 18972 19533 18950 14664 13846 13446 18189 7730 > limit Esi-0.8439999 :6 15479 17896 16278 14549 17928 13624 14961 13515 13068 15810 1 15216 16457 17861 15088 15164 15333 7593 17069 17125 14321 15781 16078 8157 11642 821.8927@0.842 8052 9861 6819 6554 7453 8318 8065 1 1 8437 1 1 1 7673 1 7527 8233 16555 7566 6986 1 6766 1 16247 1 Esi-0.89200014 :7 35410 42449 41267 45975 28354 32369 43134 37967 24306 39678 1 36359 30179 37461 43485 33215 31725 39338 45192 43201 23674 33916 41029 45233 33273 C9 H2 N3 O6 S2 Esi-0.8170001 157293 207188 174071 165453 133624 201558 164902 192342 185029 175954 1 140156 175176 190117 182306 184938 138703 57098 189943 151639 158203 140347 174863 59156 159383 C9 H3 Cl2 N2 O4 S 1 11327 11838 15790 1 9188 11309 9667 8886 1 1 12450 8677 11435 14783 9826 13603 9744 10794 20061 12912 11863 1 8881 11068 > limit Esi-0.8419998 :50 16923 19156 13997 14280 15579 16590 18492 14317 11445 18398 1 12348 16060 16393 15069 20438 20868 12915 13648 18340 13222 20053 12830 11335 8891 535.9303@13.353 1 1 1 1 1 18823 1 1 17426 1 1 1 1 1 1 1 16166 1 1 1 1 1 1 1 1 C28 H58 N13 O4 S 13877 13829 16156 15852 16117 14339 15065 14645 15070 13804 13326 16166 13526 14796 14623 14390 16278 19969 20757 11116 21032 17508 22704 18680 17441 C15 H8 N4 O10 S Esi-0.9470003 42989 32673 27598 38912 25470 28286 29776 27917 14764 28793 1 25438 23075 28074 30447 23302 26479 1 30513 39945 20427 21285 28416 1 23202 Esi-0.868 :4 13781 13477 13205 15991 12310 11113 14643 12336 10389 10610 1 9955 8910 12994 9157 11542 11642 8098 13342 12085 10491 9757 10227 1 11876 Esi-0.9750002 44965 15440 15000 14547 29131 36799 15315 15506 13050 15527 1 9884 10646 13878 16952 12312 11414 33354 20175 16246 11313 9177 18323 17775 10426 C34 H63 N11 O 8876 10636 14114 14437 12615 13171 11376 14174 11000 13000 1 14330 12042 12193 11705 11880 12434 1 11207 11757 13341 10492 8999 1 10967 C9 H8 Cl2 N2 O 78024 88337 89691 91029 86192 82783 1 89138 85905 92007 1 45771 82297 82418 82437 85883 83285 80106 1 83553 244739 84689 87359 78836 80569 543.8671@0.89799994 7361 1 14762 1 11126 20023 12151 28876 19680 13670 1 7285 24095 12775 12664 1 10613 7144 1 6697 9372 11132 17140 1 11261 Esi-0.78800005 :1 7149 13885 9210 7024 9256 10833 10646 8696 10396 11615 1 8622 11492 16185 14605 6735 9427 1 12392 7490 10196 13378 12033 8323 8960 C31 H65 N4 O5 S 10177 10869 11729 11910 12925 18548 12282 11820 18044 12783 10041 10482 11384 14222 12740 12856 21102 17933 16914 15895 17116 14216 17355 15245 16939 > limit Esi-0.84599996 :1 7529 1 11139 1 1 12573 9971 11315 11150 12121 1 7347 8097 10082 10409 9977 9523 14657 9271 1 9477 12480 1 15687 8338 Esi-0.87000006 :1 9444 14351 18523 17985 14524 14716 12847 17307 16464 13583 1 15420 16367 12818 14938 12997 10827 1 13728 11326 12075 12806 17271 1 15161 C15 H10 N O13 S 18209 16932 14480 17093 11715 12621 14548 16170 1 15072 1 14072 13348 13011 15796 11167 12538 1 14397 16980 1 1 13352 1 13102 1182.4156@0.8460001 1 1 1 1 9271 10372 1 1 1 1 1 1 8335 1 7020 8138 9630 14865 6815 1 1 8211 1 14488 1 229.0813@14.259002 61724 184725 50364 1 52247 37217 1 1 1 1 1 1 1 1 317478 1 1 1 539439 1 59864 132095 177395 1 72497 C33 H11 N8 O10 1 12199 11973 1 12418 12439 9898 13831 16691 12011 1 6790 10840 12991 11139 14485 11839 1 18317 8488 15361 14437 13534 1 18065 362.2457@9.8220005 168005 1 62608 46022 1 98539 1 77706 1 1 1 32338 130116 1 29646 50689 37369 1 68424 43923 34208 32819 1 68956 1 Esi-0.84799975 :4 26367 34371 38096 35663 31463 30238 31748 36686 36390 34476 1 36155 36791 28628 33423 29246 28214 35185 29398 23267 39911 31915 43493 34548 45598 C21 H15 N8 O12 Esi-13.556 28099 1 38440 9969 18111 20613 28436 1 26292 16368 22813 47046 28648 19862 49539 22006 13153 30358 29511 21725 30994 27263 54686 30343 34256 Esi-0.849 7310 11298 12217 11965 10354 11184 1 15590 13135 8669 1 13156 12310 9516 12516 10173 7386 1 8876 10708 12722 1 12014 1 14230 > limit Esi-0.8409998 :11 15459 19031 18696 15968 18552 16431 16568 12252 13876 18210 1 13825 12027 15222 14915 15763 17373 12106 16636 14535 15060 14256 12358 12784 9578 C10 H18 O4 24811 9088 16754 22873 14627 25708 13072 17137 20364 17942 1 15784 14227 18090 16507 14888 22507 12612 12517 20747 14602 10705 17443 11803 16462 C17 H2 N2 O19 S2 1 16967 12255 11872 1 14749 1 15330 17231 11513 1 1 14383 14442 15204 8768 1 1 15598 1 11388 10102 14109 1 11116 C11 H16 N2 O7 16798 1 17109 15327 19857 16873 19544 1 18001 20264 1 1 18142 18439 18748 17023 17885 1 20394 18092 19157 19870 18295 1 18439 803.4715@7.2169995 1 1 1 1 1 17809 1 11221 7642 1 1 1 1 15363 1 1 16339 1 10292 1 1 16600 1 1 1 C12 H10 O5 23985 24359 26561 10938 15000 14775 27581 12352 16691 23149 1 8172 11889 9496 13950 33775 15300 18203 18800 7850 17934 18295 19070 16101 9517 Esi-0.86599994 :11 7088 12200 11480 11574 10317 13006 11581 11684 9002 10283 1 10573 9194 9524 9532 9090 9755 18404 10517 9507 9237 8962 10851 19950 9219 391.9758@5.289 18709 1 1 1 1 16003 10507 1 1 1 1 1 1 8960 1 1 1 1 1 17980 1 1 8987 9884 1 C46 H92 Cl O2 10533 15005 13877 12041 12862 13165 9909 14856 12803 11320 1 12499 13317 11662 12917 9914 10677 1 10915 13591 12119 11700 15093 1 12458 392.2586@13.627 1 1 1 1 1 5037 1 1 7720 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.8970001 17261 1 13132 17795 1 13619 15434 14043 1 18009 1 12499 10101 14615 16224 12090 14025 1 15566 18889 1 12440 17188 1 8288 296.2349@11.013 10207 1 1 1 1 18453 1 1 1 1 1 1 1 1 1 1 1 1 11289 1 1 1 1 1 1 410.0886@0.94 1 1 1 1 1 8344 1 1 8095 1 1 1 1 6624 1 10784 1 1 8447 1 14721 10247 1 1 7349 > limit Esi-0.8419998 :51 17224 14801 19782 19616 19205 15639 15554 16284 19202 17320 1 16791 16783 17045 18430 18981 17511 16025 17947 17893 20192 19248 18022 12596 15927 C11 H8 O3 15272 15935 11153 12757 13168 16933 18425 9786 14879 15825 1 8607 11179 10162 16198 27768 1 11800 16115 18942 15489 15723 12458 13739 9790 C26 H36 N24 O2 9140 10658 12097 11239 10570 10737 10490 12270 12736 11519 1 11041 12903 10154 13247 11547 10148 1 10928 9287 13351 10164 12518 1 12124 Esi-0.85799986 :12 11540 14224 13317 12365 12065 13715 14771 14063 13557 13435 1 15111 13471 13872 12767 11878 11817 17418 11897 12637 10737 9446 13473 17770 13821 C41 H79 N2 12242 12229 11727 11974 12775 11386 12782 11076 11974 11332 1 11568 10579 10634 12297 11078 11107 7583 12591 11906 8536 12841 10406 6810 8617 C7 H14 O8 Esi-0.9300001 202326 278606 230829 217578 298410 219877 311848 170766 235780 249772 1 243249 200701 256289 301602 510137 117634 281788 148869 206814 355010 215035 152239 245150 218987 C16 H22 N9 O 16227 13256 14317 14230 12220 16827 15262 14905 16211 14523 10962 14676 15514 17005 13677 13494 18056 19328 20042 18622 14667 16211 14437 14543 14510 C54 H3 N2 O 10920 15424 16344 19185 10658 15669 15378 18571 15392 10343 1 14684 12892 13348 18329 15466 15041 1 21017 16099 14730 13619 14949 1 22587 C35 H72 N3 O6 7780 9648 8508 7942 8679 7751 9201 8149 8511 7483 1 9250 8619 7684 8069 1 10623 1 8476 8810 8409 8163 7290 1 7350 C27 H31 N28 6408 6554 7807 6424 6510 7221 1 6697 8338 1 1 7905 7544 6842 7047 6045 7718 1 1 6244 7206 1 8164 1 6195 C23 H53 N25 O 11348 10142 13659 14372 10791 11410 12504 14285 11082 12152 1 14722 11600 11307 12445 12408 13949 8177 10603 13859 12178 11297 10612 6350 10099 C3 H2 N3 O3 Esi-1.6209998 :1 14307 15850 32118 32253 30247 33291 30507 15919 21774 32677 1 17607 28960 37128 35287 38349 26783 32185 23019 26314 32915 27271 12815 21971 30150 Esi-0.854 20637 13484 9604 10077 9215 13230 10147 14894 1 9861 1 9665 12336 7477 15200 13397 10628 1 9606 9260 10618 9504 8965 1 12714 C8 H14 N6 S3 1 16322 12206 13521 9232 9720 9819 16591 1 17878 1 13819 6641 10151 19193 1 13592 8869 15847 10379 1 7501 14608 14117 1 C12 H15 N5 O2 Esi-13.358999 :2 17707 22341 27720 54196 17314 69575 43960 47919 33261 34250 15074 27344 33846 16258 38102 43365 52621 28863 29170 11863 16961 20879 22988 16066 14241 C11 H N O16 Esi-13.369998 127171 36790 31674 43511 15184 27040 22210 24858 35914 19572 1 14153 24940 22729 32607 27317 44066 13967 28523 27233 40970 74158 33738 45678 55302 C42 H36 N15 O 6804 7398 11151 8751 9028 9486 7769 12462 13046 10277 1 8823 10019 7992 9931 8621 7509 1 9570 9397 11894 9756 11591 1 11555 > limit Esi-0.8450001 :7 16321 15758 15988 17629 17379 17510 16265 16711 15287 16234 1 16964 18308 16756 17635 16553 14916 8324 19435 17733 17593 17337 18167 1 18289 Esi-0.85899997 :6 6625 15464 13308 13077 7147 13525 12741 14012 13444 11891 1 11634 7911 11432 13746 11984 10602 12481 10643 9782 12063 10764 14702 14127 13133 Esi-0.86599994 :12 10820 15385 13656 14979 13717 13526 14166 13827 9980 13635 1 11731 11297 13392 13070 11024 11324 7454 14320 10945 11381 12058 10256 8264 11458 Esi-0.859 :2 6346 8731 9742 13456 10898 9579 8497 12904 11566 10381 1 17809 14685 10010 11465 11651 8323 1 12577 8721 16816 12279 15360 1 23833 C13 H7 Cl3 N O5 S4 10970 12068 11919 13855 7658 7697 10692 7217 1 10174 1 8120 1 9985 8565 7737 9466 8301 8980 14956 1 6696 8504 12016 7164 C4 H2 Cl2 N2 O4 784051 472730 488112 740899 500015 472694 538010 425635 184005 478924 1 548309 380419 555750 601991 367891 623066 969285 553471 947210 307319 541719 516599 1283863 452098 C40 H73 N10 O 8250 1 10616 10952 9624 10038 8580 11392 9382 7568 1 10386 10675 8017 11919 8766 8944 1 10113 9007 10380 10288 12870 6833 10972 Esi-0.86700004 :22 11580 18158 17794 16553 14016 19511 14350 19922 15893 17462 1 15359 14714 16295 17832 15139 12376 17428 19601 11107 12953 13819 18700 15244 16233 C28 H14 N14 O11 1 1 39855 48355 29345 31857 1 28529 38566 18496 1 47633 36791 33046 45843 36765 34495 16940 61630 52732 32217 55288 10865 55364 49899 C7 H N3 O4 12414 7957 10094 16793 1 16492 1 13816 18239 13989 1 14775 7487 9651 10226 8994 11970 15103 7567 11253 9500 12174 18464 12102 13506 C24 H6 O7 S 13825 19722 15602 12209 13926 17299 14980 16237 16477 11562 1 17357 15716 20107 13810 15075 11619 1 19762 1 1 13060 10545 1 15506 > limit Esi-0.8450001 :8 18837 21212 21955 18371 21194 22208 16160 18359 19324 16677 1 20114 21683 22838 21429 20634 1 14187 19027 22285 20841 20821 19565 1 19486 > limit Esi-0.8419998 :52 15505 17376 13623 13497 15421 14304 16936 13653 10841 18348 1 12063 12346 19313 15663 17130 17755 18326 18231 17953 13005 15311 10202 16025 8814 C5 H10 O3 Esi-3.3429997 :2 65064 57785 63963 114447 45733 56657 64721 62904 27358 46338 1 77969 52709 103628 44288 59586 42667 100158 51988 49490 58125 65086 75260 63999 52265 Esi-0.867 :1 9903 10645 15489 13360 6886 8619 10526 15952 12495 10747 1 11159 12503 10109 11398 9553 9583 1 13073 8807 11313 9770 13978 1 13129 > limit Esi-0.8419999 :7 16231 16348 14143 18951 17267 19244 15264 15816 15804 16554 1 14550 16346 14370 18438 16692 16188 11450 16736 17383 19689 16403 16902 1 17212 107.9669@0.866 9926 1 1 1 1 7744 7033 8131 1 7180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0529@4.215 10423 1 1 10980 1 17613 1 1 1 1 1 1 1 1 1 7881 1 1 1 1 1 1 1 1 1 C12 H22 Cl2 N6 O3 127903 224324 201829 126782 309321 189331 307286 149899 278797 219184 1 140546 203319 302917 286539 772057 122398 390145 192743 217597 665743 433235 250594 249778 309724 C23 H28 N3 O16 S 11129 11455 11967 10867 13895 11857 9973 10097 11308 11733 8401 10261 11450 14096 10241 11563 12750 12299 15693 12991 13229 11526 14671 15284 14413 C11 H15 N5 O6 27810 40360 33750 36345 42114 39023 39186 34715 41115 40032 1 34491 41969 43458 40967 39793 42862 49684 41058 49238 41963 54576 51394 39666 49146 > limit Esi-0.8460001 :5 19569 14150 14496 18106 15244 23199 21257 17188 18079 15403 1 15756 19187 19126 16671 18042 18341 1 19091 19718 16813 17654 16648 1 11246 Esi-13.354003 :1 7875 11856 26047 58300 10114 94651 53358 43237 116956 34357 1 21248 29202 11543 41190 29235 83457 27289 36417 10043 11421 20376 19280 1 11633 272.2352@11.011001 17160 1 22301 11179 21519 36887 1 1 1 1 1 1 1 1 1 1 1 14467 18621 1 1 29933 1 1 1 C23 H39 N12 O2 118496 173529 183016 185119 200554 132873 152219 186449 186267 170836 186037 160918 168865 182640 182976 177002 195685 244783 200368 148623 207665 212916 186612 166852 197117 C16 H16 N2 14118 14810 12930 17635 12224 13185 12022 11722 14982 13624 12482 14106 16438 13343 10631 13976 15706 14865 15945 15027 15896 15129 14477 15028 15418 C32 H Cl O21 S5 9785 9798 12002 15338 10649 11145 11910 13862 14867 13204 1 15124 12437 11009 11021 8451 6519 1 13258 9826 14835 12509 17444 1 19125 C15 H2 O17 Esi-13.358 :1 19853 1 1 44937 1 113501 45175 41773 105382 28125 1 1 26300 15610 36718 19329 75863 25001 25811 14211 11199 20634 18576 16237 12309 C47 H95 N4 8893 13756 12100 10462 10208 12612 12674 11912 11021 12294 1 11658 10120 12138 10880 10247 10166 6451 13229 11398 9793 9760 10814 6448 9755 304.0909@3.318 18609 1 1 1 1 7271 1 1 1 1 1 1 1 1 1 1 1 1 1 11400 1 1 1 1 1 Esi-0.90699977 :1 1 12028 10849 7327 10177 11277 9665 11647 10204 12161 1 8813 10203 11576 9516 9903 9236 1 15683 1 9910 9413 11258 1 11885 C28 H4 Cl N6 O11 S4 14824 12465 7414 11400 12867 13903 14790 8912 7596 12716 1 8698 8461 13105 8398 10579 13629 17568 11011 13944 9232 10014 8025 20074 1 C14 H14 N2 O14 S 18437 15146 16747 19991 14140 18849 15390 23512 15221 13651 17341 15564 18978 20866 17301 15545 14945 17202 22567 15827 20407 18265 17779 17585 17702 C21 H20 N12 O14 S Esi-11.870722 75073 25305 89415 85618 15697 101153 16618 49795 86254 25276 75021 52875 41891 74294 8098 50225 70172 63988 85576 34107 48814 45805 20951 50609 57079 Esi-0.8549998 :5 36062 44630 47260 45912 38921 43083 40820 47248 48677 40836 1 46178 45857 40908 44407 38691 40280 55856 45285 40720 44571 40774 48638 54939 59430 > limit Esi-0.84199995 :9 19100 17025 15794 15290 16808 15918 13104 15302 18159 14921 1 14146 12401 15375 17366 16134 16476 1 16554 15593 14977 16688 19422 1 15082 C10 H O2 S 10879 10046 14604 1 8141 13496 9668 1 10403 1 1 15781 10880 7114 19089 1 10454 15658 7607 9743 10652 10071 9636 17162 8340 289.1534@13.365998 1 1 1 18958 1 17108 13794 15829 26470 13720 1 1 10014 1 12315 1 23322 13324 14197 1 1 1 1 1 1 C17 H8 N7 O16 16207 18220 19429 16487 17585 17487 20365 16260 18417 19306 13773 16044 17291 21751 18681 18474 19298 19844 20085 19955 22309 20648 18820 18040 17978 C24 H24 N3 O16 Esi-11.358001 :1 35754 26222 29419 22204 11906 90917 19102 46385 13179 50377 30024 65687 39741 28217 60694 82378 55297 40647 61033 71694 74645 66763 59133 45960 33277 C20 H14 N13 O13 Esi-13.628001 6626 9770 1 14674 1 40586 15823 9986 16129 9975 1 12601 12085 1 17108 18118 21201 12867 17225 11455 13064 15424 20732 12171 12816 Esi-0.85400003 :6 18583 17026 18474 15526 14155 18898 12331 20872 18955 19663 1 15965 20360 20219 21106 18565 12774 15577 18685 19039 18677 17580 20928 15456 24433 > limit Esi-0.8419998 :53 20290 21867 17155 15087 19008 21314 18774 17807 12308 18247 1 15458 15706 20357 16902 21572 20071 43629 19072 21307 17352 20108 17814 42990 12679 Esi-0.854 :1 6156 1 12480 16442 6385 11144 9467 15071 12408 11192 1 10438 12159 9521 1 7171 7605 1 11490 10381 12915 8832 16890 1 14618 > limit Esi-0.934 :1 6853 10482 9292 7671 9875 8194 10047 9967 9448 10434 1 14410 10367 1 9744 9675 7895 1 17763 7601 11410 9815 13013 1 20317 334.2137@9.468001 1 1 20611 18665 1 37622 1 29474 39658 1 1 19344 64794 54174 1 16064 22320 41605 53604 7711 34209 10313 1 14141 8629 C6 H9 N O6 Esi-0.91200006 46255 170104 35617 28926 302269 209885 273064 32589 41220 10445 1 39079 33517 238050 40597 25147 28893 1 203509 19072 15095 17423 26953 1 51209 Esi-0.8789999 :4 8229 10369 14727 15076 12289 11698 10818 17346 11724 10324 1 15211 12617 10831 13765 12115 10317 1 10920 11750 14011 13626 13489 1 14904 C30 H34 N6 O29 S Esi-12.164998 51457 13877 41666 13360 44175 22117 21199 35498 17727 19142 9983 17417 16764 15291 15282 65467 1 19134 23370 23956 48646 51455 16063 1 20853 C16 H23 N O3 Esi-9.649998 15709 11864 13012 17343 13687 17548 13566 15408 15013 13457 11195 11511 13712 15911 14981 11799 14361 14630 15570 16578 12935 13901 14827 13736 14455 C27 H28 N O24 S 1 18912 24130 18074 1 20574 24944 19937 26062 26839 27735 1 1 18531 22286 24589 20237 29606 18609 21044 30487 21464 28696 15071 25061 C12 H16 O3 14704 16522 14181 19812 13021 27357 13204 13295 17140 15761 12955 19591 14955 18919 23682 16766 150243 23255 15547 16315 15593 13387 22083 18456 14160 C11 H Cl3 N3 O3 8614 9740 11967 11793 7686 11129 8446 12555 12419 9122 1 13497 11912 9551 12672 8982 9143 18665 14658 10153 10190 9063 12405 18030 16177 C13 H2 Cl2 N2 O10 S2 9217 1 13427 10668 8311 10652 7826 15797 14991 10781 1 11436 11484 9593 13227 11988 1 6727 11782 6964 12936 10509 15795 7174 15089 C22 H21 N O17 Esi-11.041996 158324 80647 91436 98441 101623 81345 126430 120173 92514 104065 114507 121910 129649 122962 143295 125874 155027 322696 147532 74605 167612 136795 114360 105231 156638 C54 H9 N4 24572 33162 34905 39971 1 47596 51569 46876 50962 38898 1 20246 36926 1 31915 49565 49827 56897 34096 27110 35707 34129 43608 47923 46788 506.3402@14.102 1 1 1 1 10574 26579 21933 1 14820 12966 10236 1 1 1 1 1 8832 12687 18392 13016 9725 1 10028 1 1 Glycine 14795 15201 12000 8604 10959 11669 16678 9981 14127 14243 1 11551 10397 11440 1 11252 13227 19981 9494 13739 12438 14430 15345 17035 12670 Esi-0.859 :3 10050 11162 12652 15790 11015 10313 9714 14079 15633 8040 1 13192 11016 9999 12095 9383 9013 1 12124 9756 12570 10229 15309 1 16017 C31 H67 N6 O8 8734 9823 17882 16144 12394 10670 13617 16381 13428 10323 1 17129 14434 11785 14429 10081 11061 1 12853 12740 13117 11994 15720 1 15648 C38 H79 S 6001 10159 7462 8610 7710 9327 8183 6646 1 6826 1 7344 7115 8938 1 6953 5854 22759 5880 7339 1 6605 1 21381 1 Esi-0.86400014 :8 11174 14823 16502 15852 14371 13544 14919 14859 11452 13464 1 12499 13997 12986 12061 12300 12603 7535 12447 12057 12611 12679 13689 7394 10347 C25 H4 Cl3 N9 O13 S3 17628 21058 16139 15317 15005 15920 18835 12380 14033 13562 1 10934 13847 14917 15353 15600 13329 9111 15859 14557 11825 13632 11622 9938 10117 Esi-0.8719998 :8 10252 13768 15371 15540 13661 13087 12291 14814 13547 10196 1 15930 13622 12953 14392 12188 10880 1 13272 14229 11838 11115 11619 1 12420 103.9639@13.976 1 1 1 1 1 12117 1 1 12601 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C14 H N O18 Esi-13.363004 1 20828 27849 40346 31404 31369 22414 1 5840 24682 1 18712 25662 71751 23542 6318 9789 18105 20831 26900 23816 36295 26064 1 79403 1613.9825@1.864 1 1 1 1 1 24086 17997 1 1 63725 57841 141845 1 1 1 1 1 1 1 103937 1 1 1 1 1 Esi-0.7799999 :2 14655 9566 11001 12438 13762 10123 12252 12154 9341 10749 1 18712 12198 12139 10381 11950 14295 1 19837 14180 14696 15862 16822 1 20309 398.227@7.9879994 71208 1 1 24181 1 82588 1 26911 18816 1 1 17753 23619 1 13805 23733 28665 1 35685 1 1 20594 1 1 1 172.1104@7.6339993 15876 1 1 1 1 43903 1 6959 1 1 1 1 24272 20879 1 13178 50935 1 1 1 1 1 1 1 1 732.0439@0.9169999 1 14189 11651 1 1 16605 9654 14929 12488 14050 1 1 1 14381 10664 9533 8466 1 13393 1 1 1 16074 1 1 Esi-1.2619997 12845 1 16917 12955 1 19288 19646 19065 7584 9370 1 1 9841 25630 1 19322 1 17700 13474 11173 1 24402 16619 16478 18595 Esi-0.9799997 12301 17599 12639 15486 9770 10847 14974 16464 15351 16371 1 10525 10883 14017 16934 12286 13407 11183 19041 17357 6699 12021 14231 15350 11153 199.9528@0.8479998 8438 8922 8511 9818 7741 7251 1 10295 8464 1 1 10093 7538 7540 10679 1 9534 1 8186 7766 1 7360 9343 1 10556 C21 H26 N3 O14 S 14246 14456 17850 11283 13012 19114 14662 13148 16782 14594 9237 13584 14072 14293 12229 14367 17138 16022 14711 14820 16001 17011 15940 16849 15146 298.1261@1.262 1 1 1 1 1 7951 8892 1 1 1 1 1 1 1 1 1 1 1 8001 19601 1 1 1 1 10255 C7 H20 N4 O9 1 8882 9805 1 10260 12525 8793 12180 8666 7177 1 7853 11577 13532 11811 9796 11704 14013 14474 9948 10879 14100 13983 16614 14381 369.2485@13.982001 1 1 1 1 1 17430 1 1 12385 1 1 1 1 1 1 7953 14620 10568 9751 1 1 11185 1 1 1 313.9402@0.82399994 1 10147 9326 1 1 12290 1 10776 12175 1 1 1 8238 1 7401 1 1 1 10546 1 1 1 13059 1 1 C16 H26 O3 S Esi-10.097996 55780 56720 54202 61198 58741 54975 55463 56618 54627 57220 41686 50563 55306 59029 66349 54874 55256 63643 63651 63134 63523 66180 61764 66485 62037 C17 H2 O16 S 9279 18683 12528 11121 10077 18397 13977 15799 17129 16742 1 10327 15362 16979 16667 9575 11882 1 17968 12215 14059 15662 15716 1 13595 345.1866@12.947 1 1 6601 1 1 27434 9184 1 32280 9146 1 1 1 1 1 1 19884 1 1 1 1 1 1 1 1 589.8707@0.887 1 11853 7266 1 1 12224 8401 13192 12013 16135 1 1 7024 14941 7587 8363 1 1 12111 1 1 6327 13200 1 1 C34 H55 Cl2 N8 O7 7159 8847 9453 9308 9956 9462 8499 11541 9181 10871 1 9972 9189 9238 11183 10210 9551 7066 10213 9751 10309 8816 8893 8308 10378 C55 H104 N7 O3 S 9320 14049 13532 15104 12047 14050 12723 13798 18585 13583 1 14003 13430 13911 14073 10730 10655 1 15380 10991 15908 12547 14951 1 17785 Esi-0.93799996 1 11057 8950 6475 1 14496 10653 13491 17417 12163 1 1 9847 12981 12385 11154 7023 1 19066 1 11231 9773 15954 1 17984 C21 H2 Cl2 N2 O19 9817 11986 7393 7681 8854 10082 9502 9397 10923 8752 1 7093 8971 8397 9546 9812 9853 20075 9794 11771 8772 9778 6630 18914 7680 871.2496@11.673998 1 1 1 20143 1 15347 12941 19860 28429 1 1 1 1 1 16496 23118 34637 21513 20958 14096 14134 15993 1 1 1 924.0612@12.594001 1 1 1 1 1 18439 10997 13402 16110 18050 24382 1 16795 1 1 1 1 17776 1 14913 19197 1 1 1 1 C27 H32 N29 O4 10001 11818 15021 15978 11753 12866 12748 15365 15608 11518 1 19367 15865 13355 14994 11808 10317 1 12618 10684 15265 13237 15262 1 17524 C17 H16 N3 O Esi-4.3710003 30022 31621 29737 31160 32388 36937 31981 35375 31642 33905 27787 30880 32800 41404 29244 32476 38631 38638 39789 39245 37267 42436 37877 33990 34696 404.2173@9.816 10153 1 16329 10891 1 24222 1 10336 7813 1 1 7603 1 12252 6920 9296 22035 14809 10106 1 1 7652 1 11987 1 C21 H2 N2 O22 12707 12781 13327 13669 14266 13219 14932 13953 13683 13183 1 15606 13520 13568 14140 14301 13361 6744 14198 12845 14000 13008 13896 1 13030 > limit Esi-0.8450001 :9 14623 13934 16456 13850 15151 17340 12600 17397 17059 15380 1 14790 17066 15931 17922 13490 14564 1 17869 15971 15891 14621 18453 1 14894 308.1982@8.872001 29047 1 1 17602 1 10945 1 1 1 1 1 1 11821 1 1 1 1 1 13185 1 1 1 1 14262 1 > limit Esi-0.845 :3 9813 13947 13914 14452 12482 13335 13123 14116 13306 14210 1 11895 12408 14983 11876 13028 13643 15312 12405 14372 13168 12141 12296 13198 10551 397.9684@0.9759999 1 14185 13399 1 13826 13421 13086 13029 18727 1 1 1 15315 17681 13547 12693 1 1 15745 1 15665 14312 15920 1 16271 C21 H19 N8 O10 S 1 1 20881 17749 22358 26987 1 24593 20419 16465 1 1 24234 27754 18710 22361 83166 20497 19064 22441 18254 21563 21388 30877 22039 C7 H17 Cl3 N7 O S Esi-0.911 38650 139085 142214 60168 105255 191383 126979 213844 272230 173271 1 49877 143867 179765 146735 130990 79384 1 174974 50363 146941 134731 220064 1 173891 C31 H6 N3 O22 7922 8820 7372 7360 9766 8080 6788 7928 7664 6219 1 18914 8753 1 1 1 10767 1 14526 8869 10548 10164 10870 1 15533 C30 H69 N29 O7 15385 15247 13518 18903 10357 15489 17467 15643 6268 16475 1 11641 12242 11318 17439 11885 12638 1 18240 17338 1 8992 21249 14322 9997 C19 H28 N7 O Esi-8.403 283735 12574 45919 32957 1 206312 1 99182 56573 13474 1 23173 193820 57702 28618 86478 72666 54731 274622 46795 22602 19558 22198 42433 25027 C44 H94 N22 10272 7623 19283 14942 11915 8991 8666 12311 18382 7253 1 11351 13657 8316 14864 9398 11371 1 9166 11531 14826 12387 15191 1 17744 530.1462@0.9599999 1 1 14362 1 1 10828 1 11395 14531 1 1 1 8703 8100 1 1 1 1 7242 1 7974 1 15194 1 9250 C26 H59 N10 O19 12535 16439 14106 17303 14037 13049 15730 13331 9664 13898 1 13670 11818 14093 12539 14807 15615 14898 13838 16784 10592 13394 10877 14591 9382 621.3274@8.25 1 1 1 1 1 16732 1 11379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H11 N5 O4 Esi-13.5053625 1 23668 52200 55444 1 137186 55711 12370 15110 69902 1 102897 41586 45041 105019 39270 36768 22725 29983 28946 15282 54974 89653 79132 90331 874.7951@0.846 14030 1 1 1 19859 19344 14040 29198 26976 1 1 1 25235 13681 27199 16481 1 7811 21619 1 24147 1 1 1 1 C15 H N2 O14 S 1 14529 9642 8498 11317 12023 11309 12794 11067 13108 1 14386 10237 11748 10053 12805 11074 1 17545 8167 9975 12500 13401 1 13014 424.9567@0.88699996 1 14354 8345 1 1 19055 10165 15136 15612 1 1 1 1 14041 8354 7407 1 1 15559 1 1 1 1 1 1 C12 H11 N9 O 1 1 1 14208 16236 14303 13554 13502 15700 14466 1 13650 13293 13827 15179 1 14518 15419 17419 17180 16681 17465 20526 1 17406 > limit Esi-0.8450001 :10 14992 15126 14532 14697 16803 14241 12907 13589 12932 13447 1 12693 15814 16244 14390 14446 14177 1 17710 15678 14770 15447 16021 1 11484 C9 H5 N2 O3 Esi-1.007 13995 1 20781 16333 1 26109 13166 16975 1 14109 1 1 17547 20589 12890 15231 13495 13308 22133 1 1 11447 22014 8675 10500 266.9575@13.627999 1 1 1 1 1 15165 1 19919 7751 7460 1 62984 1 1 1 34624 5587 1 1 1 1 1 1 1 1 218.1153@5.263 18248 1 8133 1 1 10482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.9846@0.9049998 1 6301 8844 1 1 9565 1 9492 11107 7363 1 1 6931 6971 8994 1 6688 1 7412 1 1 7299 11155 1 10612 > limit Esi-0.942 13375 9513 9401 10651 9172 10674 9513 9425 1 7747 1 14749 9963 7455 9548 10036 10793 1 16142 13782 7501 10202 9743 1 15380 > limit Esi-0.85499984 10915 1 15199 16301 13232 13787 13445 11328 13427 10089 1 14457 11519 12155 15598 11555 10427 1 12503 13616 14569 13807 12667 1 12094 C3 H2 N4 O4 S Esi-1.2619996 20767 25832 15394 14485 20484 19657 37315 16010 21746 26808 1 17690 13597 25718 8506 12423 10696 26559 11282 25601 22108 28781 13309 11745 13046 348.2662@12.069 38070 1 28805 30247 1 52742 1 14738 1 1 1 1 22411 1 1 19880 11144 1 1 1 1 1 1 10481 1 322.0122@13.98 1 1 1 1 1 12405 1 1 9217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-12.287998 112229 28715 1 82901 49934 108711 64321 84743 96661 124101 110100 47302 105804 136708 81065 110701 54360 128323 158006 60214 45273 70315 74702 66479 67087 C11 H2 N4 Esi-1.0130002 20934 14059 30248 27839 1 33201 1 25245 1 15433 1 7534 19613 29769 20044 19138 12190 1 25611 10458 1 19685 36134 1 14988 Esi-0.86400014 :9 6830 1 10606 11929 6383 9808 6404 11711 9520 7799 1 9381 9357 7337 10549 8328 7310 8051 8361 8451 10096 8213 10934 8286 10209 > limit Esi-0.8419998 :54 25110 24671 30244 31241 28448 26869 25608 30142 29272 25432 1 28978 29452 25647 31292 26798 26417 9735 28715 24522 32814 28243 33494 11921 31038 447.9441@0.92500013 1 11753 14079 13057 1 13338 10059 19634 12467 12356 1 8838 1 1 13841 1 1 1 12313 8144 1 1 17829 1 1 Esi-0.903 1 16027 14153 8868 13022 14842 14144 16401 12529 16382 1 11268 12078 13922 12188 13459 9593 1 21764 9015 10632 11353 15691 1 15635 > limit Esi-0.8419998 :55 24933 25669 14981 17760 23848 21224 24446 13953 13259 24758 1 11954 13672 23444 15061 24250 26012 52866 18909 23677 15396 17030 15541 49557 9382 C23 H10 N7 O3 9677 13385 12269 11297 12899 9789 12979 12315 6987 13111 1 9376 9282 13291 15127 14063 8983 18110 14994 15725 13020 15501 15196 16696 13554 C20 H34 O4 Esi-9.841999 60863 12056 45210 10869 1 21232 1 45097 26467 1 1 44026 93575 46940 52120 21955 42048 9110 14869 31720 31116 37445 12705 25065 19911 C9 H14 Cl N3 S 11911 13085 15573 9711 11860 14785 12667 11529 11167 10631 1 10631 13839 11702 16589 16110 1 13698 13358 10105 12733 11852 12099 14595 9112 Esi-0.8149998 8279 16325 9058 7909 1 13845 7981 13297 10770 9896 1 6599 10143 11262 11662 11403 8140 1 12709 7356 7046 7012 9191 1 6706 Esi-0.8789999 :5 6756 10117 11904 12895 8531 10653 9347 12290 9378 6783 1 12315 10167 9983 11041 10836 9015 1 8193 11112 9573 9987 9839 1 10755 261.1225@12.951003 10226 1 15622 11001 1 24967 34606 11464 16811 14282 1 5922 8492 1 11287 8733 39313 1 12408 1 1 1 18315 1 1 > limit Esi-0.9250001 1 11505 7526 1 8092 11131 8419 11787 18853 13196 1 1 9599 13860 9059 11003 6338 1 18988 1 14515 15829 11981 1 14268 C8 H21 Cl N6 O5 S3 32365 39378 31255 20132 34732 43885 39000 43650 56749 47660 1 15903 44485 51227 36093 42510 31330 1 42213 26361 43332 39243 43188 1 38469 C18 H27 N2 O16 S 22664 33355 25540 25928 43702 34077 25016 78675 32836 24638 44474 23198 57170 24932 28844 26632 32358 30398 45214 34757 32896 39163 60153 27451 28691 C22 H32 O3 Esi-11.487 :1 205522 49646 171349 84599 1 213951 44987 63936 72246 35402 1 67905 567270 19352 66360 100771 69745 31467 36893 34477 75857 87589 85258 117033 30617 > limit Esi-0.8460001 :6 8284 12560 10842 8505 9159 8747 10693 7850 7381 9640 1 9278 7158 11032 1 11687 8850 14223 8409 10624 7870 10105 9078 17992 1 > limit Esi-0.8439999 :7 12760 16784 14059 13650 13535 12850 12378 14657 11896 15411 1 12127 15268 14702 13796 12448 14282 16805 15454 15869 13234 13285 12174 17247 11933 C29 H26 N9 O17 43882 1 25916 29476 1 34329 1 34762 19253 1 1 18105 35695 12145 15646 22666 26393 12061 32017 17333 1 20526 1 22731 1 621.8108@0.85900015 1 1 1 1 1 13671 1 14099 11102 10897 1 1 1 1 1 9828 7120 15791 12222 7617 1 1 13622 15898 1 Esi-0.8630001 :3 11008 9999 10578 8173 8484 11223 12001 10493 1 9763 1 7586 9077 10213 9277 9075 9273 17095 10814 9115 8376 9376 7700 16232 1 Esi-0.867 :2 8385 14356 12603 12730 8336 10469 9134 12997 8302 9216 1 9269 10364 11298 11602 9857 10087 1 11867 8851 10425 8254 12408 1 11269 > limit Esi-0.942 :1 10116 12958 11555 10713 9581 11341 10838 15601 11621 11739 1 10397 10820 10421 14081 10694 9436 1 18920 10737 9756 10119 16943 1 17964 524.1976@11.753999 12067 1 16377 1 1 14118 1 8198 1 1 1 1 17279 6321 1 10104 16795 1 12406 1 8204 1 1 6349 1 > limit Esi-0.8419999 :8 14796 15912 12873 11489 15047 13029 15263 9778 9841 16862 1 12986 10730 12774 13215 17807 17094 12146 14753 13290 9912 12847 10285 11604 1 155.0198@0.8690001 1 1 18124 11337 1 13355 1 16504 14309 1 1 1 12075 1 1 1 1 1 10080 1 8583 1 15565 1 10142 Esi-0.9459998 :2 68465 116399 117767 128701 100118 96982 108569 113537 53110 117473 1 106651 93745 81618 116202 63135 76336 101471 117824 86360 62869 85902 84674 119774 48359 396.279@13.627 1 1 1 1 1 12423 1 1 10594 1 1 1 1 1 1 1 7709 1 1 1 1 1 1 1 1 C12 H10 O5 Esi-0.97900003 23985 24359 26561 6356 6062 19056 27581 12352 16691 23149 1 12791 11889 7432 6144 33775 18446 18203 18800 7850 17934 18295 19070 16101 9517 C16 H34 N3 O2 18681 25696 34993 50059 31135 16002 6949 29984 16893 59071 67828 25116 77475 91437 25086 18416 32883 25234 23457 40856 105099 26659 26604 32942 63868 120.9541@13.379 1 1 1 1 1 33636 29102 1 46378 1 1 1 1 1 1 1 32023 26614 1 1 1 1 1 1 1 242.0901@3.1860006 1 17950 1 1 16755 17035 16781 1 1 1 1 17340 16995 17097 16666 19372 17662 1 18229 16468 18438 18196 16801 1 17699 Esi-0.86700004 :23 10773 13956 14521 15159 10954 13270 11917 13199 11084 12242 1 12004 10382 12674 11294 11128 11745 6213 13157 12656 11418 9488 11936 5543 9295 > limit Esi-0.8450001 :11 9202 8898 12141 12081 9489 10286 8455 10360 11639 9446 1 13029 11593 9538 12786 9939 11074 1 10999 10680 11909 12066 12324 1 11437 Esi-0.87800014 1 8176 14217 13874 7842 8345 8234 14787 9572 6628 1 13294 11496 7781 11057 8794 7821 1 10604 9267 9902 8811 13322 1 11647 C36 H67 N8 O 13005 10832 9613 14403 10993 10148 10043 9496 9628 12424 1 10483 9717 11939 9584 12082 11209 14301 9091 11880 11285 12159 7905 10625 8714 C11 H N O16 Esi-13.373996 54598 36790 29654 40591 15184 25917 26583 22194 52323 20193 20114 26082 24065 116556 32978 30765 42873 18215 28390 1 12520 29172 33738 50445 1 659.5361@0.85400003 8731 9661 9301 1 10211 8816 8192 8764 1 8776 1 7601 1 1 7890 9732 1 1 1 8766 7428 9252 1 1 1 C19 H17 N11 O14 9794 6744 7195 9708 6268 23290 21231 24622 21447 19740 1 6684 1 23479 8029 34961 30132 34704 8389 28423 6801 15928 12038 6610 15522 C7 H9 N3 Esi-13.358001 17227 22771 20608 47384 15529 71226 32266 26781 64153 25045 1 23433 30129 17706 41990 29760 53924 29520 25004 14656 16443 19705 24733 12610 17111 Esi-0.8780002 :1 11162 12524 15450 16547 12892 15020 12962 13951 11690 13303 1 16077 12134 13056 13710 11814 12483 8657 14233 12931 12794 14408 12706 1 11166 450.1526@1.1949999 1 8221 12237 1 6958 10057 10013 11189 1 1 1 1 10949 12943 1 8974 5862 1 8666 1 1 13032 12504 1 13320 C21 H20 N12 O14 S Esi-11.8220005 74408 82982 57854 44466 59791 124976 57567 49795 89303 80508 75477 53764 41891 53252 53275 56756 70181 62687 88830 82900 42485 52814 82217 52562 57079 > limit Esi-0.84799975 :4 8354 9000 11992 10613 10052 8734 8868 12865 10812 9593 1 10488 10519 8084 10474 8414 8453 1 8224 7507 11174 9969 10309 1 13584 528.9052@0.82600015 9559 45631 12015 1 25839 18766 34637 13596 39162 35130 1 1 13237 37424 1 32023 1 1 15907 1 1 19040 34516 1 1 C20 H34 O3 Esi-11.709 :4 500198 19706 316074 129093 1 545152 1 262050 65568 1 1 47661 176699 53224 59842 202063 199245 66255 135857 59390 79119 85548 12061 122644 50231 346.2511@12.079999 55846 1 1 1 1 23103 1 1 7944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8419999 :9 17562 14851 16095 17219 13069 14151 16777 12178 17528 15142 1 12773 16163 16802 16460 14245 12202 10073 15044 14703 16042 17641 13978 9445 1 633.3247@10.926001 14462 1 1 1 1 18563 14872 12931 14650 11946 1 1 1 1 8026 1 14922 14786 1 18674 1 10502 10086 10715 10657 C10 H9 N O11 7487 13089 11472 9115 9958 11218 12707 10598 6082 13609 1 1 8181 10333 14303 12386 10870 13331 12889 13778 10679 14587 14489 11993 11974 557.3325@8.548998 1 20427 1 26331 19031 22723 18058 1 1 13013 1 1 1 1 14736 1 1 35561 1 46826 1 19911 22179 16178 14974 Esi-12.338999 59860 81053 82598 72870 68978 78351 74089 83217 82768 87677 65409 68279 77002 47872 63890 67898 90771 117180 100872 80380 102634 93753 84726 31912 79201 C7 H10 N4 O4 S 32934 16263 13255 7529 8021 22820 13328 7839 12401 1 1 1 23929 11650 13829 12307 11032 22640 26393 33942 14933 21617 24200 1 18708 C11 H Cl3 O6 S3 10981 15652 16504 15476 12534 13926 13929 16501 14997 11985 1 15576 14270 12452 12872 10845 10356 5489 11576 11380 11653 11329 13683 5953 13741 C38 H76 Cl2 N 8950 9261 9851 9829 8506 8564 11050 10597 8520 7787 1 10391 9789 10142 9136 8170 10038 1 8859 8854 9595 9823 8696 1 8716 > limit Esi-0.8460001 :7 10291 13709 9016 9700 11060 11683 11651 10306 8506 11636 1 10167 9631 10252 7529 11122 12394 17350 10346 12107 9218 10269 7912 17202 1 C8 H11 N5 O S Esi-13.556715 1 1 30100 15402 18080 5416 13939 67805 35787 24447 45426 14546 27024 35856 23038 22000 38433 44188 1 48192 1 43467 19954 34221 35036 249.9687@13.628 19900 1 1 1 1 57819 20555 21621 48376 6953 1 1 1 1 1 28964 10200 1 1 1 1 13542 4847 1 1 327.8544@0.8730001 6764 1 8473 9933 1 6817 7023 8384 1 1 1 8980 1 7285 7750 1 1 1 1 9799 1 1 10220 1 1 Esi-0.8419998 :14 11614 17994 17580 12709 15022 17218 16528 15648 11845 16884 1 15759 16728 16753 17163 15681 14644 14648 17757 15479 12981 14254 14798 13053 14385 230.1153@6.244 9652 1 1 10385 1 16628 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H3 Cl3 O3 S5 7825 13622 12561 10333 10754 10469 12867 11123 9892 10727 1 12215 10830 9803 10651 11768 8254 1 11661 9855 9541 10866 11728 1 9203 Esi-0.866 :4 8605 9853 15188 13805 10082 13094 10403 17079 12392 11077 1 12345 12853 12666 10702 8728 7200 1 15713 7666 8323 9300 14094 1 11408 > limit Esi-0.8489999 :3 8254 9047 13953 13436 9294 11824 9788 13273 14075 10348 1 12569 14063 9729 14793 10608 8675 1 12052 9311 13695 10961 16449 1 17292 228.1359@6.9250007:2 1 1 15584 20590 1 19876 1 9187 23259 1 1 8080 1 9094 1 13447 10178 17139 23188 1 1 19110 1 1 1 > limit Esi-0.84600013 :10 11880 10941 10846 10723 9626 9561 10184 9632 9970 11679 1 9078 9637 11968 9393 11764 11161 10298 12207 12475 11620 10433 10707 9551 6252 Esi-0.8710001 :12 8808 12800 8681 8542 7094 11108 9031 10126 8617 12301 1 5682 7290 5970 10912 6025 10359 10954 8009 11191 5935 7335 12000 8629 1 > limit Esi-0.8419998 :56 12178 16290 15203 15374 16202 16081 15734 16057 13998 13067 1 14015 14798 15683 15265 13979 14750 6422 15205 13719 15204 16127 16008 6651 16126 C20 H30 O4 Esi-9.468001 1 27336 26750 12525 1 63741 1 13400 33687 32181 1 11255 40789 46045 1 23065 25335 34336 50066 1 27814 12290 1 17941 25493 793.2997@11.076002 1 11713 15547 1 1 19298 1 1 9924 1 1 1 9286 1 1 8838 12305 16318 14133 14082 1 11451 1 10827 8958 > limit Esi-0.849 11829 7734 15506 16037 1 10682 7674 14912 16177 7947 1 15211 13885 1 11676 8510 7111 1 9416 9807 14116 10100 14228 1 17434 Esi-0.859 :4 10300 14215 16463 14424 8133 13884 8553 1 10415 13493 1 13814 10492 7668 13511 12656 12306 5855 8508 13321 11893 9307 13650 1 17592 Esi-0.86599994 :13 10753 14278 12194 13045 10929 12567 13311 14278 9887 13677 1 13075 11231 12721 12543 12308 11932 7997 13098 12509 10342 12279 12882 8080 8815 C4 H6 N6 O3 Esi-3.356 :1 21438 23418 28063 44051 15006 27390 25380 20542 24285 24729 1 26302 28571 38353 17818 21142 21575 60515 37225 33714 32704 30009 32966 29169 26642 908.1208@11.288001 19740 1 14854 14924 1 16983 1 17734 1 1 1 1 17389 1 1 12730 15187 1 18181 1 1 10742 1 13472 1 C22 H46 N17 O10 11273 10158 12888 12531 13220 10284 10157 9582 10924 12941 1 12290 10493 12171 10595 10552 11697 7618 9427 10828 9249 9983 10656 7846 7026 > limit Esi-0.8439999 :8 14959 14655 12936 13678 16477 16701 12730 13841 9949 16351 1 9241 11535 16174 11761 13211 16447 14166 14216 15794 11112 11577 10702 11903 9948 Esi-0.8450001 :3 7450 7519 9141 9911 10587 10902 6896 8849 7777 8224 1 9651 8272 8192 10555 8011 7750 1 8713 6308 8390 9816 9001 1 7389 352.225@9.292 1 1 1 40329 1 70859 1 67189 29906 1 1 20421 1 36133 17210 49547 36922 26812 43279 22680 1 30570 1 65734 1 Esi-0.88599986 :3 43725 26671 27571 28780 21454 29739 21557 30080 25812 22741 1 21084 25394 23251 29826 23802 22027 11214 21432 41064 45718 21456 27855 8219 23941 C18 H6 N2 O12 Esi-0.95000005 33421 6664 32058 40557 23891 11708 34467 12151 16429 13573 1 24573 20980 7779 31745 19613 25948 1 6934 35385 14611 19590 15275 1 17654 C28 H5 Cl3 O10 S3 19758 13798 10731 10771 8897 12509 12654 12662 12351 14106 1 1 12904 11532 10523 13721 11198 1 7856 6706 10390 8550 9651 1 9466 C8 H6 S 39105 63799 62091 56687 43899 39788 51806 58175 35775 71551 1 62664 45402 85334 63690 45754 58855 88429 65660 70467 42178 53777 60281 90594 47382 C11 H2 N3 O12 S2 6498 1 7420 1 8749 5879 7263 11100 11546 1 1 10116 9357 7056 10317 7158 6203 1 7127 1 10409 7920 12969 1 15727 459.9637@5.288 17261 1 1 1 1 13502 9693 1 1 1 1 1 1 1 1 1 1 1 1 13844 1 1 1 1 1 348.2663@11.942 18951 1 11519 8774 1 20216 1 6641 1 1 1 1 8454 1 1 23783 6594 1 11163 1 1 1 1 10891 1 C17 H24 N14 O9 Esi-11.2960005 :1 62138 1 32845 36272 1 46122 1 41094 21825 1 1 18249 41360 14107 17460 23984 29671 14728 32006 17255 1 18544 1 26629 1 > limit Esi-0.8419998 :57 17100 17022 12682 11850 16056 14689 17004 13680 11590 14301 1 13113 12181 15393 14251 16903 16034 26224 14886 17012 14679 16216 13930 27573 12295 C52 H43 N7 O2 9249 14521 8658 7759 9000 8732 8481 7805 7720 10803 1 6494 6786 9819 9304 9685 12016 11693 9029 8661 8799 9202 8385 11105 8569 C22 H6 N O26 Esi-12.951003 15287 1 24073 8354 1 266841 51797 36799 128062 36410 1 38016 15186 1 26710 12027 111918 35050 26974 54521 1 31719 35207 33978 1 C19 H8 N2 O12 8069 13735 10004 1 11119 14141 13527 13988 13923 16225 1 1 10669 14310 10328 14183 9233 1 13394 1 10610 9966 14363 1 9340 C23 H30 N3 O7 8435 1 9487 7275 7753 10123 1 8607 9699 8915 1 7061 1 1 8473 1 11253 9969 9726 9902 14508 7310 13700 7752 1 Esi-0.846 1 9942 12641 11978 8770 10870 9652 16460 15202 9922 1 11416 12211 8687 12897 8900 1 1 10468 8549 11800 8248 16160 1 16382 Esi-0.8789999 :6 11385 14330 16694 15621 12175 12675 12137 14750 10547 12412 1 15245 13557 12120 14128 12908 11454 1 12135 13332 12373 12722 12423 1 10421 > limit Esi-0.8460001 :8 14865 12983 15925 13650 15843 15378 13768 15156 12305 14654 1 14298 14502 15840 14589 17027 13353 1 15523 16869 12704 14226 15944 1 12084 C14 H10 N O3 14820 8170 9179 1 1 10666 7868 8114 8554 10844 1 8151 8992 11817 8168 9580 11784 13647 11594 10657 8922 8723 11977 11132 15578 > limit Esi-0.84199995 :10 13334 15428 14951 14829 13874 13674 11383 13371 15705 13291 1 15807 16778 16145 16797 16483 12476 1 14810 13756 17178 15495 15845 1 16665 Esi-0.875 :6 1 8235 13632 13671 8888 11672 10214 13491 10465 8346 1 13741 11808 8629 10941 10130 8120 1 10193 8140 10101 10144 12318 1 11350 C25 H26 N 65612 61363 78703 87232 23854 34154 26823 30544 24893 25236 26953 77389 30349 30402 99605 25531 28579 35311 33146 36999 30913 33139 32556 27002 27894 468.3952@13.178 1 1 1 16257 1 60940 18645 9923 57929 15545 1 1 1 1 12752 1 48034 1 1 11929 1 1 1 1 1 > limit Esi-0.84600013 :11 10961 14297 9734 10100 9945 9856 11557 11924 9716 8802 1 9305 8534 11820 8885 11364 8951 13807 10658 7454 9324 10712 8406 16002 9073 310.0663@0.93600005 14255 1 1 1 1 8616 1 1 1 1 1 1 1 1 1 6866 1 1 1 1 1 1 1 1 1 C15 H22 O6 Esi-6.401999 11908 1 12915 9250 9517 12729 10284 10195 13445 11220 1 8148 6617 8024 10718 7819 13872 11019 11105 13940 15407 9780 12607 9216 9190 Esi-0.851625 9518 9153 12170 8308 7821 9014 6788 6367 7865 8675 1 9222 9104 8944 9680 9715 9388 16621 10311 8658 7578 7566 7403 16597 8152 Esi-0.8719998 :9 9214 12097 12923 12642 9331 12417 14405 12616 11980 12060 1 10279 11387 10991 10576 10275 9676 5390 11661 11310 9197 9384 12427 1 9108 438.2972@10.534 1 1 16509 1 1 9190 1 1 13574 1 1 1 7644 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.867 :3 8813 11358 15062 13408 8534 13910 12377 15647 11620 11466 1 13172 13576 12404 11915 9608 9484 1 13028 9509 9917 9516 13169 1 13248 Esi-0.7889998 :1 7869 13135 13320 11668 11892 13138 13405 12979 13077 14629 1 10826 13680 15901 14484 10513 10775 1 17580 12603 13996 14230 13197 1 13225 222.1618@13.353 1 1 1 1 1 21606 1 1 22707 1 1 1 1 1 1 1 15200 1 1 1 1 1 1 1 1 323.9328@0.78800005 1 6301 1 1 6275 7378 6361 1 8088 7270 1 1 1 1 6591 6524 1 12325 6842 1 1 1 1 11281 1 C30 H56 N18 O3 10203 9085 10482 12203 14807 9725 10632 11866 12937 13266 11290 10327 11020 13142 11148 11466 12250 17771 15913 13513 15975 16826 14564 12799 13568 C20 H32 O3 Esi-11.386001 :1 701918 33667 505393 79977 1 411904 9116 184224 43555 13761 1 58406 492756 44768 52424 151346 142958 62492 178716 85385 79075 67190 21427 127558 29028 375.125@1.229 17040 1 9535 1 1 12250 1 1 1 1 1 1 6849 1 1 6621 7807 1 7165 1 1 1 1 1 1 360.8791@0.887 1 1 7558 1 1 7534 1 6364 6710 8727 1 1 1 8980 1 1 1 1 1 1 1 1 9419 1 1 370.2367@7.472 1 1 67349 1 1 131062 1 118276 24638 1 1 23465 1 15767 67482 57641 48052 25636 51470 50626 1 30571 1 27839 1 C11 H3 Cl O5 S5 8556 10425 13157 12780 7502 11428 8847 12509 7002 1 1 11566 10401 1 8797 6343 8320 1 11034 11836 6745 1 1 10588 7336 343.8335@0.8719998 7711 9165 8850 1 8024 8271 6198 7952 1 9194 1 7659 7326 1 7141 7623 6825 1 7262 8777 1 6812 7749 1 7233 Esi-0.8719998 :10 15400 18188 19057 19796 17093 15915 20814 21283 13006 16679 1 15552 15297 16271 15756 14839 11161 1 22239 18511 14373 12904 18766 12086 15845 C40 H38 N15 O4 Esi-0.8460001 9798 9399 11979 12583 8591 10590 10824 12457 13157 10758 1 13762 11979 9229 13342 10902 9498 1 11513 10897 12852 11538 13421 1 14658 443.9003@13.362 1 1 1 16896 1 15559 14510 9715 27861 10679 1 1 9206 1 11291 10473 29188 1 11931 1 1 1 1 1 1 146.0578@1.906 1 41374 1 38310 1 43413 44304 36089 1 1 1 39450 45701 38894 46188 41896 47392 1 46882 36994 36188 44462 1 1 46554 798.9499@0.9309999 7211 11337 9721 8455 7615 9177 9681 10092 1 9461 1 8915 8684 1 10001 7529 8493 1 13106 11247 1 8286 11123 1 1 C10 H7 N7 O2 Esi-1.0200003 13658 32649 10054 23385 31811 15125 30782 8494 46900 25307 1 27857 7405 55133 52964 12364 18904 22353 51860 54658 65093 50976 42326 23001 42515 Esi-0.7910001 :2 9704 18541 10059 10100 11595 13171 7603 13181 12097 14223 1 8861 9717 16060 17013 14527 11627 1 16991 12285 16146 9745 15805 1 14313 > limit Esi-0.8419999 :10 10797 11547 10968 10448 12134 9829 9917 9384 8250 11337 1 11100 10708 11979 9098 12021 13802 9175 10633 11598 9731 11323 8655 7519 1 > limit Esi-0.84700006 :4 10476 12554 16652 14842 13582 13501 10308 13841 14433 12610 1 15750 14723 11844 15492 11060 10462 1 13390 12809 16193 12880 14659 1 17382 181.0414@0.94700015 14837 1 9954 1 1 10428 1 1 1 1 1 1 1 1 8263 8779 1 1 11574 9133 1 8897 9580 6935 1 C41 H85 N12 O6 8505 13596 12764 10329 10038 16673 13174 11804 12252 15833 1 1 10980 14213 11060 11300 8494 1 13359 10429 1 9217 12325 1 9148 Esi-0.78800005 :2 8543 13207 9220 8571 9070 14066 10695 11115 12082 13129 1 7162 12694 13025 12207 9202 7991 1 13871 8688 10174 9626 14118 1 10871 C24 H15 N10 O19 1 22543 1 24590 26997 20312 30563 26995 22874 20351 17271 22077 27714 22649 29860 24061 35330 36748 26270 23367 38349 34941 22029 25983 32379 C33 H22 N20 O16 1 9530 1 1 6559 11714 9658 10825 10351 10202 1 1 8494 13205 10136 8873 8933 1 16957 6848 8487 10467 10478 1 12820 198.1252@7.821999 21676 1 1 1 1 57247 1 1 1 1 1 9433 20498 1 1 16928 12211 17994 23461 10436 1 9237 1 14803 1 > limit Esi-0.84700006 :5 15747 11145 18657 16255 16124 16790 14358 19873 18896 16527 1 18369 17851 16915 16079 14910 15677 1 18902 15748 15983 15524 17219 1 16892 > limit Esi-0.8450001 :12 15539 17627 12717 12934 13496 14141 13911 8654 9262 15381 1 11113 9523 13024 12102 15231 16469 24825 12989 15207 8785 13257 10770 26507 1 Esi-0.8710001 :13 7712 10619 13815 12525 9325 7879 11232 12127 9931 7397 1 13534 9483 7170 12227 5743 7171 1 8843 8736 1 6868 10910 8901 8885 223.0068@0.8579999 1 1 7928 6955 1 5845 1 1 5878 1 1 1 1 1 1 1 1 7604 1 1 1 1 6471 12327 1 > limit Esi-0.69700027 30485 27917 29513 15704 26736 30326 29247 12153 10023 26368 113172 27158 28534 46804 45615 44346 106367 41042 27826 34791 31425 32002 29670 36029 27377 C8 H12 O4 13551 11612 14601 12065 11036 9638 11813 12080 12573 13612 1 11450 11862 14657 12290 11349 10880 14063 18112 11283 13095 11158 11549 17286 15222 Esi-0.8590001 14443 13063 11593 10583 1 14496 10153 18525 15392 14394 1 1 10828 9756 13495 19587 6869 1 12093 10273 9138 6308 15750 1 13660 C8 H20 N3 O3 S2 23689 77025 76811 52675 60988 57033 68344 65992 57970 60238 1 54559 63569 70465 94545 183649 51859 43262 82435 61235 140229 106148 112081 51745 77986 334.0502@0.94200015 1 10389 7633 12637 1 7647 1 11656 1 8554 1 9204 1 8418 14236 1 9146 1 13337 8045 1 6790 11212 9067 1 326.1915@13.386:2 1 1 1 15032 1 50742 1 1 38437 1 1 1 1 1 1 1 27599 1 1 1 1 16711 1 1 1 C28 H23 N O21 34559 75090 36957 67109 62978 66326 30893 74042 68573 29912 125129 33771 73099 26266 80613 98294 77435 38655 84929 102256 29589 42311 89010 52572 240915 956.9772@3.4686668 1 11695 1 15274 1 57332 1 1 1 1 1 23139 14098 1 1 1 1 8596 1 1 1 1 1 1 1 C48 H N O 6525 10617 9785 7848 9447 9189 12687 7737 8350 1 1 8756 6796 10066 10476 15185 6050 9002 10563 7339 9793 9193 7906 1 8944 1238.7407@0.84099984 12383 11959 1 1 11117 11542 12806 1 1 14827 1 1 11720 11141 9894 1 15450 16746 9892 12441 9780 10526 1 16148 1 C4 H6 O2 Esi-1.2269999 16248 18768 7404 11666 9613 11468 16870 10623 13808 13608 1 1 8914 9532 14967 15765 10291 1 14694 15342 11406 13026 15178 1 14554 > limit Esi-0.84199995 :11 13032 12470 14220 17931 15006 13313 12530 13688 15650 11156 1 14834 16293 13087 15199 13753 11126 1 12670 13003 17378 15710 17079 1 15468 362.2451@9.8220005 151149 1 62608 45729 1 96271 1 77706 1 1 1 32338 129368 1 29440 50689 37369 1 69000 44231 34208 32819 1 74872 1 C23 H30 N2 O21 S 11291 9712 10665 7882 9887 10235 10739 10371 10493 11107 7994 10521 10794 11471 11354 9886 9959 11199 14518 11893 11687 12349 13829 13319 12343 Esi-0.89100003 11622 15216 13610 16358 11611 11735 11421 10840 1 13051 1 10132 7104 10674 11763 7297 11303 7407 11768 13698 1 7212 10020 10879 8972 228.0972@6.934 1 1 13650 1 1 12850 1 1 7423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.8500002 :9 11542 13867 14643 17058 11378 14184 14281 15046 15649 12127 1 12670 16046 13270 14350 12781 13258 1 11047 11938 11762 11960 14577 1 15038 C23 H20 N3 O16 Esi-11.619999 29098 16317 29607 34442 21786 60828 29967 43973 69756 21852 14674 17261 11212 23444 22575 28350 68418 12233 45391 38750 40031 25241 42778 21221 12879 > limit Esi-0.84600013 :12 11900 13589 11924 13516 11008 10900 13623 12634 11145 12210 1 12207 9258 13166 10311 12938 14709 13353 12461 12064 12270 14192 11141 12660 9051 218.0783@0.966 1 1 12073 10863 1 5912 1 7803 10756 1 1 8628 7227 1 1 1 1 1 1 1 1 1 5918 1 1 C28 H59 N17 O 1 8905 12991 11440 8312 7810 8111 11282 7966 7621 1 10820 9792 9446 10223 8859 8314 1 7313 1 9723 9630 9168 1 9366 > limit Esi-0.8489999 :4 6952 10774 10211 10944 7212 9513 6726 10713 7011 10506 1 8017 7456 10167 7700 6913 7199 14092 7100 1 7710 1 7502 16060 7370 Esi-0.7819998 15331 10333 10795 19960 19969 14253 16672 15741 13002 14387 1 27601 17306 17544 10383 19154 15089 1 30651 12904 24600 23943 23734 1 8420 472.2044@10.061998 9043 1 8103 10192 1 13052 1 11877 6977 1 1 1 1 7303 1 11590 16646 14446 11098 1 1 7736 1 8606 1 C12 H2 O8 S2 9835 11430 8952 8876 13672 9311 9516 9805 7841 11159 1 8371 1 8020 7483 7586 1 1 11350 10456 7691 8014 12387 1 7946 665.7993@0.882 1 12315 7745 1 1 13304 8344 14711 13196 16854 1 1 1 11417 9016 1 1 1 12334 1 1 1 14348 1 1 C22 H32 O4 84297 1 37512 109873 1 44290 1 42921 43939 1 1 24559 119539 1 45301 23287 48940 23613 25830 10309 35768 101184 1 22795 53672 C13 H16 O5 15007 15258 15929 17497 14236 16012 13817 14715 15963 14913 12550 14750 16490 18901 14919 14773 15674 13766 17214 16742 15306 17775 15031 16081 15108 398.1852@7.1230006 1 11803 8676 1 1 15341 9303 7942 9882 8507 1 1 1 8951 12780 1 1 8466 10155 1 1 14542 1 1 1 C41 H81 N18 1 16774 9456 6413 8569 15058 1 13436 10676 13861 1 8014 9773 13832 9243 7015 1 9270 9790 7286 7559 6744 16860 9959 5745 > limit Esi-0.84799975 :5 10934 8710 13977 14120 13928 12459 8670 14559 16604 9409 1 13096 13593 13468 13935 10744 11566 1 11359 9433 12845 14249 16017 1 16712 C19 H26 N7 O 1 30821 1 40703 1 22314 1 73036 1 38840 1 59629 99720 53933 46018 10350 32367 143068 40763 67052 1 83511 1 55195 1 231.0716@6.436 1 1 1 1 1 16518 1 1 1 1 1 1 1 1 1 1 10453 1 1 1 1 1 1 1 1 353.0692@1.2299999 1 1 12714 1 1 6731 1 7499 1 1 1 1 9374 1 6896 9270 14841 1 7610 1 9042 7439 1 1 1 C19 H3 Cl N6 O5 S2 7129 17853 8959 1 9162 9267 11850 9970 6704 8296 1 9517 10582 13271 11589 8682 8710 1 14403 10847 1 1 13321 1 9828 592.1841@11.754999 10003 1 12317 1 1 8500 1 1 1 1 1 1 9954 1 1 7825 16205 1 9793 1 1 1 1 1 1 505.0901@0.91300005 1 11960 11703 1 1 13484 1 10152 14076 10715 1 1 9268 12727 12810 11427 7428 1 12009 1 1 11239 8983 1 9093 Esi-0.89200014 :8 14472 18345 16382 21468 12579 15231 15499 15159 1 14390 1 10995 12785 14795 16358 13292 13121 12902 17382 16311 9643 13580 12593 18660 8961 > limit Esi-0.84700006 :6 9097 9093 9717 7067 8231 10082 8076 1 1 11038 1 7038 1 9674 8393 7936 9529 14015 8412 8605 1 8446 1 11652 1 657.8894@13.627 1 1 1 1 1 10231 1 1 9298 1 1 1 1 1 1 5560 1 1 1 1 1 1 1 1 1 Esi-0.86499983 :24 7333 14142 14824 11388 10126 15138 11707 15585 14039 10418 1 12381 14367 11014 15773 10595 8125 1 14773 8834 10869 11169 15774 1 14976 C5 H8 Cl3 N S 37740 34971 38456 36471 38534 37463 37941 35488 19260 35897 73911 35525 39072 38290 36229 37307 83728 41633 32510 39356 20665 42259 41637 41384 73022 Esi-0.85499984 11210 8248 11970 13072 11933 9363 10018 15512 13933 10881 1 9757 14891 1 14971 7967 1 1 12921 10100 13958 14239 15853 1 17489 C37 H72 Cl N3 O6 10312 9577 10193 11545 10292 9895 9506 9277 10312 8455 1 10450 9215 9546 10181 7459 7422 8631 8909 8220 11837 8368 10763 7914 9922 C41 H35 N23 O 10680 15770 14808 15315 12633 14929 14003 15432 14379 13502 1 13842 16994 10857 15185 13392 10863 12122 16204 13218 15198 15143 16991 10561 14522 310.2142@9.079001 23464 1 11040 1 1 20835 1 11104 1 1 1 1 11921 1 13428 12612 1 1 1 21582 1 1 1 14375 1 C41 H89 N6 8303 12661 13786 13625 10557 13859 12238 12474 11010 12036 1 9752 12408 11417 16943 11665 9363 14556 14454 11228 8763 10017 14624 23645 12737 C15 H18 N7 O3 Esi-6.401999 14610 9823 14587 10929 11350 12688 12048 10824 15383 14933 1 12774 1 8474 13298 10282 16638 14705 12795 15285 17504 8608 16133 10786 10148 603.919@13.344 1 1 1 1 1 15141 1 1 9049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C39 H78 Cl O3 S 13515 12023 13298 14160 10046 11502 8918 12253 10404 10176 1 10578 12413 11650 13156 11141 13450 8174 11016 12095 12688 11171 10393 9903 12605 176.105@5.979 1 1 1 1 1 17525 1 1 1 1 1 1 1 1 1 1 8366 1 1 1 1 1 1 1 1 C26 H7 Cl3 N2 O17 S2 24789 34810 24670 20674 25033 30815 28397 30937 28719 24676 1 16395 20421 28503 20437 25060 26632 19414 28412 22235 16885 22822 23087 20019 17139 C18 H28 Cl N O S3 1 9074 8346 1 8050 10945 9342 11840 9751 12634 1 1 10399 16349 11722 9791 11587 1 15200 8091 11450 13807 16722 1 16051 C36 H5 Cl N3 O3 S5 12009 14735 13225 8666 12128 13451 15341 12580 10331 12129 1 9460 8434 14073 11923 14831 13645 15079 14475 12469 10996 10842 12420 11806 9196 418.1209@1.2369999 1 1 7885 1 1 15372 1 1 11104 1 1 1 10916 8743 1 8873 1 9229 11807 1 1 9902 1 9768 1 254.0283@0.96199995 1 1 12948 11540 1 6604 1 9584 8066 1 1 1 1 1 1 1 1 1 1 1 1 1 14771 1 1 C35 H71 N16 O 1 8562 10606 8640 8842 7969 9488 9617 8457 8033 1 9068 8120 8216 7657 8569 1 1 7884 1 9958 7210 10649 1 8547 C4 H4 N3 O5 9046 1 11367 15562 1 17201 1 10936 13356 1 1 7996 13253 9899 9315 13734 9632 13752 10839 1 1 1 8897 9295 1 C16 H24 N3 O18 Esi-10.83 14479 8367 32911 6169 7761 11792 8217 8996 8064 9561 7013 6909 7058 7384 34040 22437 6583 9785 12729 6568 32175 9785 5879 7735 38394 722.0648@0.9520001 11974 9359 1 11588 1 7548 8746 1 1 7409 1 1 1 1 7772 1 1 1 9262 9622 1 1 1 1 1 C33 H59 N17 O3 8252 7640 8362 9734 11551 8440 9648 9522 11314 10492 8475 9823 10709 11293 9930 10404 11494 16346 13500 11574 12722 13479 13407 12385 13269 C5 H9 O8 Esi-1.545 25838 1 32184 1 1 37302 1 26753 25957 1 1 15893 31250 24921 16677 22334 30610 17656 27393 16906 18933 21556 19384 15021 11648 366.2766@12.057 1 1 7757 1 8357 13854 1 1 9261 9126 1 1 1 1 6791 1 12612 1 1 1 1 1 1 1 1 C37 H81 N20 O4 S 10880 11298 15508 12446 11554 12832 10810 9896 1 8077 1 12176 11445 10317 11021 7854 7888 1 9849 12091 1 7047 11476 11262 1 > limit Esi-0.84600013 :13 12925 14930 14777 13400 13842 14424 11513 14117 13431 13805 1 12310 12832 14026 12392 14251 12151 15875 14319 14273 12322 16363 10900 18058 9888 142.0992@6.383 1 1 1 9541 1 17347 8611 1 13299 1 1 1 1 9955 1 1 16005 1 10713 1 1 1 1 1 1 509.9818@0.9049998 12275 5459 10669 14590 8331 11870 9934 11754 13274 11523 1 1 1 8564 12955 1 8481 1 8270 14009 1 1 13319 1 1 > limit Esi-0.8470477 10685 10282 14148 10261 10514 11798 8092 11268 9728 14088 1 12101 8393 12129 10506 11156 1 1 12254 12124 11335 11616 12591 1 10827 C6 H8 N3 O S 1 8397 8126 1 9584 6772 10729 7547 8010 8466 1 6050 1 9579 8881 16527 1 14065 6503 6249 11153 8596 8888 11051 8071 C3 H8 Cl2 N3 O4 1 12001 13636 13774 7996 8612 9264 14025 10260 10783 1 9117 13991 7792 11949 15163 19787 7068 11710 10234 13783 12895 12795 10213 9173 368.2056@10.356 9884 1 1 1 1 12212 1 1 1 1 1 1 1 1 1 1 6838 1 10983 1 1 1 1 10744 1 567.5466@0.8500001 7363 9174 8636 8963 7562 7147 1 9054 7696 7603 1 9863 1 7516 1 1 1 1 1 1 1 1 8783 1 10476 C17 H22 O16 35135 16993 14904 14603 10486 14924 8542 18987 14818 47761 10248 14917 36571 18426 40043 50644 18739 17662 21365 16046 18806 16704 15080 16119 36594 C51 H105 N9 O2 S 25766 27359 1 22030 27309 24995 26321 28754 28941 26162 1 24662 24277 29685 26448 28546 25701 13122 28162 25228 26439 27833 29453 11421 1 C38 H11 N9 O8 69324 31375 20984 190620 78135 49645 82445 69237 87368 51968 38429 92534 46105 71795 94527 84155 129915 77391 109203 37711 96985 94035 225511 59701 71515 C32 H67 N8 O S 5853 6330 15223 14833 9744 9287 7309 14651 15187 6339 1 15648 14165 8995 12774 7906 6788 1 10270 8334 13741 11206 17895 1 20052 941.6069@0.8990001 8957 16218 11983 14048 10506 9697 13694 12085 1 13447 1 1 1 10283 9544 7262 9734 1 13864 12409 1 1 10545 11338 1 263.138@13.984 1 1 1 1 1 18307 1 1 11962 1 1 1 1 1 1 1 10337 1 1 1 1 1 1 1 1 144.0784@5.587 1 1 1 1 1 17227 1 1 33555 1 1 1 30496 38175 1 1 1 1 1 1 1 1 1 1 1 C6 H3 Cl N2 O2 S5 1 6529 14446 11629 9173 8946 10318 15027 12224 9620 1 13401 10639 7743 12218 8674 1 1 9853 9035 10315 8959 13113 1 15003 985.7315@0.856 1 1 9882 10559 6029 7361 7700 11593 16165 1 1 11014 10159 7380 1 1 6528 5757 1 5586 8896 9381 12411 1 17841 C18 H22 O16 Esi-13.371 15231 1 18156 23843 1 47867 19516 37579 18400 22255 35882 9216 44797 14800 24432 20322 59140 12703 17339 23076 20250 16431 38673 1 1 C5 H4 O2 37018 19975 15851 9514 27041 43153 24201 18527 18476 7899 1 10013 14129 26815 12314 30998 13008 1 24690 9808 13547 8024 8484 1 10648 160.8762@12.882002 47386 54075 1 1 69174 38152 1 58106 1 1 1 1 1 96786 1 1 1 70560 1 12361 1 1 156825 1 1 378.2405@8.028 18029 1 1 15984 1 14632 1 13179 1 1 1 1 1 1 1 1 1 1 11848 1 1 1 1 14629 1 Esi-0.78800005 :3 10877 10684 13360 13592 10220 13252 12438 10373 11616 14564 1 7918 13365 13560 10532 11047 10384 1 14986 8930 11081 13690 13949 1 8706 535.9296@12.946 1 1 1 1 1 28384 1 1 1 13047 1 1 1 1 1 1 18370 1 1 1 1 1 1 1 1 Esi-0.884 13414 13349 16181 18652 11939 16058 13190 14443 8992 12629 1 14307 11783 15421 13995 9273 13418 7492 12456 14185 1 11479 12143 14999 11013 C10 H2 O11 12215 14756 15456 11420 12461 14387 13399 14980 13476 14108 1 11961 13088 15249 16875 11847 12933 1 17538 11060 10410 14787 13786 1 11154 193.9985@0.942 15263 1 1 1 1 15225 1 1 1 1 1 1 1 1 1 1 1 22490 1 1 1 1 1 27580 1 C41 H84 Cl N 7900 7825 8334 7265 8205 8573 7700 10903 7030 8404 1 7859 7280 7360 8293 7741 9044 9880 6719 8376 6750 7410 9912 7603 1 603.7516@0.89599997 9685 8234 6648 10437 1 8073 9560 6446 1 6583 1 7590 1 8731 7919 1 1 8311 7750 9861 1 1 7399 11180 1 505.8986@0.894 1 8909 11608 8760 1 10275 1 15527 13230 11524 1 1 10442 10483 13047 1 1 1 10316 1 1 1 16897 1 7988 391.9811@0.9370001 1 11001 15199 16330 1 10493 11240 19276 1 12363 1 14090 14255 7925 14103 1 1 1 12143 12237 1 1 18243 1 14357 Esi-0.86300015 :12 10355 14240 13936 13082 12044 11711 13875 14377 11764 12009 1 12427 12178 12598 11865 11613 11627 5727 13767 11676 12224 12876 12846 7659 11347 C16 H23 N7 O2 Esi-13.36 9586 1 16190 29992 1 44427 25238 21741 42665 19638 1 11603 17322 1 25532 17051 34683 18076 17159 1 9808 13283 10819 9423 1 C11 H22 O3 Esi-9.036294 1 180577 1 18044 57198 104701 1 70963 32395 40274 12745 42381 126331 234116 129856 183501 45961 50595 1 1 1 1 49432 72563 1 322.1054@0.996 1 1 1 1 1 7734 1 1 11950 1 1 1 9888 1 10087 1 1 1 8756 1 11869 8929 16668 1 13602 C14 H2 N4 O6 S2 Esi-13.369002 :2 1 1 27851 45625 1 112028 37175 28207 117851 30914 1 24455 21271 14236 28246 12854 67362 15207 23605 1 1 1 15377 11281 1 200.1408@8.888 1 1 1 1 1 23558 1 57510 1 1 1 1 1 1 1 1 20975 1 1 1 1 1 1 1 1 Esi-0.8789999 :7 6745 6246 7813 7946 6219 6804 6242 8145 1 5707 1 8521 6136 5923 6242 6658 6932 15926 5593 6317 5709 6289 1 14934 1 711.8974@5.045 1 1 1 1 1 11995 1 1 1 1 1 1 1 1 1 1 13327 1 1 1 1 13672 1 1 1 341.0089@0.92300004 10695 10910 1 1 1 14138 1 9978 13023 10553 1 1 1 10603 1 13230 9748 1 12213 1 1 10579 1 1 14623 Esi-0.901 1 13571 9608 1 7665 9961 9701 9426 7500 9480 1 7964 8892 9068 7508 8941 1 1 14218 1 8299 8384 10183 1 7665 C39 H83 N12 O2 12518 15284 16369 16736 14958 14751 14703 17015 12146 13832 1 14753 14180 13980 13362 12744 12330 8666 18373 12890 9489 12934 15297 1 12547 > limit Esi-0.84199995 :12 13278 14738 12748 12927 11528 11188 12806 13223 1 14827 1 10410 12402 12773 11462 11274 15450 17360 11615 12441 11819 11854 1 16148 1 C11 H20 N12 O2 11580 9487 10670 11732 10972 11551 11501 9638 10559 10990 9830 10439 11318 12091 10091 11818 10899 15016 13929 12103 11989 12200 11853 12716 11507 C25 H4 N O22 S 9880 12444 11349 10961 11078 12010 12252 11153 11544 11179 1 11224 11593 11589 11629 12258 13167 6873 11278 10826 12283 11773 12236 1 10013 Esi-0.85400003 :7 21464 21897 12959 22312 12066 16717 13132 18023 26479 24712 1 12858 9146 13989 33045 30249 13120 1 14288 9323 24190 19347 30755 1 25628 C6 H12 O3 Esi-5.0745215 1 22217 9923 12034 10011 16942 9574 14285 14116 18030 1 12176 8453 17660 12479 10414 12187 20809 7355 20545 10947 13104 19657 12574 12056 C8 H14 Cl3 N3 O9 S 8669 7494 8757 10055 9408 19827 7731 18134 19798 19962 1 7048 9291 7440 10611 8866 11569 1 6821 10950 9700 9879 16037 1 7331 > limit Esi-0.8560002 10901 13202 12407 13464 10318 10376 12325 13293 10291 11621 1 12624 10354 9159 12232 11461 11248 14520 13716 13826 13271 10124 10009 14491 11294 144.1146@6.697999 1 1 1 1 1 16914 1 7460 7667 1 1 1 1 7017 1 7242 10547 1 8665 1 1 1 1 1 1 579.8576@0.78800005 8652 14005 7672 7793 1 12421 10284 12787 1 1 1 1 8871 9950 1 14761 1 1 10303 7711 1 1 9930 1 8193 Esi-0.86700004 :24 9724 11779 13029 10332 9768 11425 11454 10998 10080 9754 1 10339 11266 8979 10076 10108 8524 13115 10471 10194 9686 9379 11394 13652 11789 C19 H26 N7 O Esi-8.095 1 20464 1 147737 1 76733 1 72705 70580 38840 1 64272 99642 53933 58479 55095 78598 144248 54015 26300 43072 55843 1 56199 1 C8 H9 N O4 Esi-3.2069051 1 26364 1 30954 29789 22864 29478 24138 25576 38243 1 35113 30428 38713 38084 32365 30167 38983 44244 28597 28847 37653 35895 1 36335 Esi-0.87000006 :2 8964 11916 14246 13381 10984 12683 12437 14313 10603 12975 1 11893 11963 11312 12402 10754 10412 1 12399 12175 11480 12225 12661 1 9764 > limit Esi-0.8419998 :58 12134 10590 11620 9979 9716 11112 11033 8185 9737 11672 1 7722 8336 10467 10469 10186 9469 8943 9552 11354 9795 9290 9797 13265 9481 C28 H27 N2 O30 108063 99624 13283 104888 31951 62838 78231 91869 22888 81520 82093 88480 106830 72636 63918 136237 129866 106124 114745 219207 104703 158158 13755 15711 56656 388.1208@0.9650001 32454 1 12311 11619 1 12162 1 1 1 1 1 16408 8993 1 29248 9229 1 7114 9284 1 1 1 1 16383 1 189.1005@1.057 1 1 1 10408 8458 19978 7971 1 1 1 1 1 1 1 1 1 1 1 7085 11105 7183 1 1 1 7679 C18 H2 O21 S2 21550 14137 6680 16013 7576 12812 12404 12334 7303 13657 1 1 8373 7603 8715 9651 10344 1 8662 8822 16810 6140 20771 1 16226 C16 H4 O18 S2 Esi-0.79100007 1 11943 7101 1 9698 9346 13739 7068 8477 6631 1 1 6958 7318 7581 10817 1 1 7703 1 8641 11093 24470 1 9987 > limit Esi-0.84199995 :13 10692 11599 12951 9991 13613 11561 11160 10890 9329 12485 1 10623 10194 13588 12200 11179 11550 1 11901 13696 12211 12852 12057 1 10165 C29 H65 N25 O4 12620 11342 10868 11222 11844 9653 12289 11495 12113 11528 10370 10983 10992 10849 10878 11166 12191 15945 15218 13770 15341 13971 14540 13473 15051 889.6285@0.8760001 1 11737 10401 15560 8568 11091 10719 8777 6929 10234 1 1 1 9278 10637 1 8814 1 13038 1 1 1 1 1 8676 131.9993@4.709 1 49320 65126 53918 58818 59954 1 61319 55759 57205 1 1 64601 1 1 1 1 64090 58330 57423 1 65485 1 1 61928 C42 H85 N14 1 12285 9607 5994 9554 14667 10616 15555 11489 11575 1 9865 11213 13833 12518 8433 1 1 12974 7164 8507 9417 15586 1 7174 543.6373@0.86699986 1 7347 10096 12449 1 8067 10712 9984 10480 1 1 9295 8798 1 8596 1 1 1 1 8640 8700 8318 10040 1 9786 > limit Esi-0.84199995 :14 10148 11890 13431 13669 11277 10748 9741 11676 13460 11063 1 10921 12972 12513 15035 13727 11924 1 12744 12002 14197 11338 13359 1 14944 C9 H18 O3 Esi-7.425895 55594 1 206506 168004 206235 24545 1 1 224690 56551 74174 57678 158128 207618 215634 42013 215746 63946 1 52673 60336 1 1 58947 152369 282.953@13.675402 151431 34144 1 1 34628 33425 95022 1 37961 1 136312 1 1 198179 1 116121 94526 129652 1 140935 1 1 47843 198509 189918 Esi-0.87999994 :2 6944 8604 12927 13764 11098 11271 10708 15101 11958 8270 1 15122 13297 8878 13495 9968 10174 1 10870 9723 13492 11132 13391 1 15533 555.5591@0.863 1 1 9332 12576 10189 8192 1 11561 9995 8407 1 11069 9872 10095 10650 8985 1 1 10706 9580 9685 8197 11172 1 11740 > limit Esi-0.84700006 :7 11918 14516 11610 11167 10241 13764 11501 12682 12354 14199 1 12470 10457 13554 11944 12326 12089 6313 11314 12912 13052 10217 10345 7923 9052 Esi-0.88 10744 12423 11290 10858 1 8390 14404 8678 1 7909 1 9451 6986 6900 11496 6564 9489 8595 9478 9024 1 7133 8425 11789 8137 > limit Esi-0.8509999 9724 9276 8474 10735 7286 8193 6925 11433 9429 9924 1 8999 8810 7804 10041 6858 8677 7237 11194 7227 10904 8857 12693 1 9018 577.9714@0.858 1 1 1 1 1 8772 1 9553 11358 9910 1 1 1 6505 1 1 1 1 1 1 1 1 10904 1 1 C7 H17 Cl2 N4 S 6906 7805 6423 9258 19717 20978 26474 15436 14243 11257 1 15314 18106 19339 10620 30259 11749 24109 17686 9590 21117 17702 1 20538 10911 457.1777@1.2229998 1 1 12431 1 8755 10601 1 1 1 1 1 1 11810 10421 9700 12085 17441 17286 15791 1 16853 11810 1 17900 13014 Esi-0.84700006 :6 12848 16028 14495 14736 13790 13251 14243 14650 13964 15264 1 12755 11845 15141 14217 15403 15772 8648 12584 13670 13022 12984 11814 10804 9367 663.9245@5.288 12729 1 1 1 1 11547 1 1 1 1 1 1 1 1 1 1 1 1 1 14210 1 1 1 1 1 C20 H15 N4 O19 10054 11103 9569 10512 12828 7961 13457 1 1 10246 1 12239 8332 7586 8675 18588 1 1 10652 7553 13290 9606 7492 1 8376 733.7019@0.86700004 1 5974 8603 7397 1 7498 1 1 6371 1 1 8351 1 1 1 1 1 1 1 1 1 1 7397 1 8720 C5 H3 Cl3 O7 S4 7761 9443 9125 6690 9862 10622 9554 9658 9239 11283 1 9862 8356 11729 9034 8677 8948 15002 10067 9086 7358 7884 8348 14687 1 Esi-0.866 :5 1 8188 10849 8463 8774 7767 7865 12824 11014 7409 1 9545 8505 8707 9559 8720 1 7073 10182 7939 8579 7867 10568 7189 9431 C4 H6 Cl2 O S 126808 153096 144801 145584 133150 141533 140138 152114 127974 140287 1 136125 138967 143419 133648 142440 127293 154955 133877 129170 123795 130064 136211 148190 115626 366.2043@8.544 16017 1 1 1 1 18562 1 1 1 1 1 1 1 1 1 14397 20237 1 12438 1 1 1 1 1 1 C4 H Cl O4 S4 9657 9390 8374 8488 6561 7866 7485 8518 5503 7004 1 7426 7422 6794 7119 7184 7592 1 6478 7731 6747 1 5757 1 1 222.1247@9.154 1 1 1 14164 1 9893 1 7055 9425 1 1 1 1 8366 1 7030 11130 8541 1 1 1 1 1 1 1 483.1099@0.9169999 1 6584 7494 1 1 8477 1 8261 13093 6688 1 1 6722 9001 8406 7253 1 1 8977 1 1 7771 6752 1 6886 506.3456@12.947 1 1 1 1 1 31355 13223 5940 15740 8053 1 1 1 1 1 1 14428 1 1 1 1 1 1 1 1 > limit Esi-0.8489999 :5 8561 8936 13135 12632 9038 10712 9855 14660 14732 10482 1 12331 12093 9670 11856 10911 8212 1 10170 9768 13699 11997 12750 1 14691 > limit Esi-0.9300001 1 7358 7135 1 1 9800 7026 13166 15267 8922 1 1 7253 9649 7256 6579 1 1 13306 1 10890 10042 11591 1 15764 > limit Esi-0.845 :4 11578 12139 11273 12019 11232 12261 10188 7824 9920 10366 1 9874 9563 11373 9857 10341 11175 6092 10293 11338 9296 10999 7515 6107 7271 631.8674@0.7919999 1 14230 8795 1 1 13180 10478 8716 12295 12130 1 1 9391 10799 11441 8153 1 1 8722 1 1 1 7444 1 1 > limit Esi-0.8419998 :59 14887 13339 10773 10756 11092 12799 11135 13860 10559 12495 1 8047 10289 12229 13417 12872 11583 15019 13431 12545 11885 10714 11168 14659 10323 569.8978@0.8079999 1 14173 9453 7421 1 10923 9775 9669 8914 10266 1 7979 9658 12136 10897 1 1 1 11151 1 1 1 8754 1 1 C4 H8 N3 O2 S Esi-1.2649997 21349 34918 45374 33452 22660 31641 28139 36984 22329 24430 1 24633 29029 22292 28906 32003 31341 16331 32614 25612 29446 20312 38505 18155 25103 C9 H12 N4 O2 Esi-13.627999 11575 11351 9863 15336 12357 50235 21373 18012 56783 14415 1 12958 11855 11132 35261 20038 22575 17508 20034 12538 10686 18283 19988 14925 13290 C8 H11 N5 O S Esi-13.552817 38718 38036 26560 43577 17678 54852 26176 14473 10737 38934 81122 39529 1 33599 34602 8427 37496 42333 20901 5079 1 46715 1 51952 45335 > limit Esi-0.84600013 :14 12200 15129 11640 10483 10881 11622 12456 8738 10209 10360 1 12371 9634 12910 9837 13221 11899 12601 11900 11319 10481 12508 12692 13311 9250 703.119@11.417 1 1 1 1 1 27284 17560 1 17678 1 1 1 1 1 1 1 1 1 18680 14397 21107 13762 1 1 1 C18 H30 N2 O19 S 34628 31252 32208 10043 16995 52720 5562 34548 30046 31282 9478 40268 32777 32505 11090 28819 50251 54006 45167 37099 32290 37864 35888 35454 48619 Esi-0.86499983 :25 8242 10341 13833 9652 9018 8548 9428 12092 11459 1 1 8886 9172 8885 9898 6344 1 9589 9657 9066 8786 7301 10452 9245 9929 C38 H34 N20 O4 5904 7347 11141 8760 9303 7805 8483 12392 9795 6156 1 12029 9688 6885 11562 7711 7076 1 7877 7501 12122 10488 11398 1 14049 649.8198@0.883 1 12997 1 1 1 11082 7567 9590 8464 12235 1 1 1 11662 7592 1 1 1 9755 1 1 1 10486 1 1 C22 H6 N O26 Esi-12.949998 :1 15762 1 16018 23546 19196 162471 48670 38425 1 44484 1 26267 29168 1 36617 21039 10558 28567 28352 1 1 7201 42404 38035 1 618.5352@0.85 1 7049 8956 6847 1 8530 1 1 1 1 1 6911 6908 1 1 1 7633 8464 1 1 1 1 8216 9075 1 C5 H3 Cl N2 O S 313889 273206 233569 316686 238942 247264 269286 241484 102777 270213 1 218456 202084 272102 279941 174620 211114 332181 297646 335119 132662 231490 278232 408516 215751 Esi-0.87399995 :1 6893 9434 8348 7933 7696 7162 8422 7444 7614 7170 1 7243 8308 7631 8194 7557 6617 1 6410 6281 7157 6585 6383 1 5571 C18 H14 O21 Esi-9.953999 14989 14576 11645 14394 12438 12607 12031 13440 13063 12057 14570 12058 14233 14445 12352 15462 16287 14260 14692 16791 14503 17043 15102 16348 15384 180.0629@1.204 91642 79834 16067 1 1 29175 1 1 1 1 1 1 60470 1 1 1 52570 46792 1 1 1 1 34741 1 1 540.1909@10.062 8225 1 1 10621 1 11193 1 9020 1 1 1 1 1 1 1 8446 11647 12470 8033 1 1 1 1 8430 1 146.0382@0.98999983 7871 11237 14360 1 13425 9117 19420 1 7510 10828 1 1 11335 1 9558 13325 16482 7121 10019 1 1 1 1 15208 1 672.2738@12.772 1 1 1 1 1 10094 1 1 15326 1 1 1 1 1 1 1 6525 1 1 1 1 1 1 1 1 > limit Esi-0.84799975 :6 9029 7978 10406 13453 8798 10060 9909 14920 14547 9715 1 15013 13090 11361 13579 8796 8117 1 9932 8290 11482 11065 14821 1 16172 140.0825@5.552 9379 1 1 1 1 14637 1 1 1 1 1 8127 1 1 1 11388 1 1 1 1 1 1 1 1 1 Esi-0.8710001 :14 9744 11719 13562 11900 10947 12762 13070 13280 10555 11910 1 12145 12411 11683 10899 11815 11984 8438 10932 11323 10322 11464 11852 8409 11137 220.1308@5.541 1 1 1 1 1 45541 1 1 1 1 1 1 1 1 1 8113 19701 1 20778 1 1 1 1 1 1 Esi-0.8719998 :11 6854 9266 7863 7326 8052 8245 8532 6950 5815 8135 1 7197 7453 7681 7073 7679 8810 14940 7046 6983 6347 6968 6162 12474 1 341.8761@0.861 1 6190 9469 8537 6810 7034 1 9858 10763 1 1 11090 9346 1 8663 6812 1 1 6804 1 7035 7606 11842 1 13960 > limit Esi-0.8439999 :9 10043 11648 10252 11664 11450 9175 13305 11782 11526 12514 1 10761 11317 12165 12362 13205 10874 12550 14912 12515 12434 11672 9796 12225 7233 > limit Esi-0.8419998 :60 11739 11849 13315 13310 12213 12219 11825 13767 12204 11801 1 11475 12919 12962 15328 11004 12154 11612 11219 10262 14027 13721 12427 11905 12948 C31 H55 N19 10891 12897 13298 13961 13574 12731 13825 12608 10003 12645 1 15071 13512 10991 10750 13306 14229 8873 12840 15283 10701 13474 10132 7384 7651 C35 H13 N6 O15 9475 8799 1 1 8786 10164 9019 11193 14010 11751 1 1 12443 10854 9197 11922 8907 1 14920 8160 11833 11336 11512 1 14900 384.2138@7.596 24702 1 18023 30176 1 64382 1 26643 1 1 1 20802 16827 22602 1 33510 32513 25196 40991 20121 1 26055 1 11577 1 C38 H Cl2 N5 O4 S5 11827 10504 12366 13744 12283 10323 11429 11635 13071 9814 1 10314 13107 10062 9337 9716 8452 5403 11488 10769 9185 11364 13848 5426 11876 C15 H2 N4 O4 46249 23981 38102 37147 46776 39565 37965 23669 38209 23935 1 40947 38348 46442 30113 30995 148418 35002 30649 42341 39360 40178 48230 36961 11926 472.9468@0.942 1 1 1 1 12294 14184 1 1 1 11736 1 12007 1 1 1 1 12350 1 14845 1 1 1 1 1 1 C20 H30 O4 Esi-9.468001 :1 1 27336 26756 12525 1 69556 1 13400 33687 32181 1 11255 40845 46045 1 23065 25335 34900 50066 1 27814 12264 1 17941 25493 C40 H79 N6 O3 1 7307 9897 9471 8590 10845 8936 7866 7418 7831 1 8051 8204 7526 9532 8207 1 1 10020 7467 9064 8505 10442 1 8398 157.0268@0.948 1 8612 7280 10172 6825 7913 1 7773 1 1 1 1 1 1 9401 1 8893 1 7939 1 1 1 7786 7635 1 C37 H81 N19 O4 6679 9004 8145 9951 7485 6803 7199 13116 1 8745 1 8949 7910 8091 7547 9681 1 5794 7438 1 8294 7932 11389 1 6434 C23 H6 Cl3 N5 O10 S3 8649 9182 10577 8943 9707 7652 7896 9199 11389 8170 1 7181 9630 9514 8018 9632 7750 8501 10887 7203 9302 9208 10022 1 9619 > limit Esi-0.8460001 :9 7869 9953 10297 8819 8817 9691 8621 9222 9463 12009 1 9380 8637 11514 10318 10253 9850 6994 9526 10040 9642 11224 11479 1 8764 > limit Esi-0.8450001 :13 7663 9981 7827 7298 8306 9369 8238 6827 7984 8836 1 10081 7455 9294 8996 10699 9480 6426 10541 8050 7379 9531 7875 1 7767 Esi-0.8739999 6303 1 8078 8801 5997 8997 5693 7974 9372 7503 1 8614 9500 5573 7992 5798 6934 1 6250 1 7534 6925 9040 1 9545 322.25@12.22 1 1 14927 38696 1 82305 1 19712 1 1 1 1 1 1 1 12111 16152 10012 7055 1 1 1 1 1 1 C5 H2 S3 Esi-0.89599997 65579 23979 25871 32071 28431 26091 32053 28227 24193 28755 1 25734 31946 23075 25170 28957 30497 1 24054 33078 21008 22093 21343 1 18054 > limit Esi-0.84700006 :8 7322 7520 12260 12208 8931 9843 6923 13180 14305 9340 1 12875 10255 8935 12196 9030 6627 1 10556 8496 13215 10344 13924 1 15053 > limit Esi-0.8489999 :6 8441 10705 8768 11317 8760 11940 10413 10259 11784 7292 1 11930 12010 7975 13927 11598 9795 1 11187 9380 10951 10868 12402 1 11874 540.4369@13.212 1 1 1 1 1 20612 1 1 14198 6844 1 1 1 1 7380 1 27354 1 1 1 1 1 1 1 1 576.0823@0.958 1 6473 11049 8972 1 6733 1 6797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9044 1 1 C4 H3 Cl3 N3 S3 7094 9521 10314 10344 7059 6928 9162 9653 10022 10582 1 11889 8669 7787 9969 1 9378 6581 7949 7562 7737 7565 9195 8258 6342 > limit Esi-0.8460001 :10 7897 7566 10579 8064 8945 10092 7304 9361 8129 11200 1 10105 11080 9175 8434 7382 7660 6516 8269 9089 7607 10546 8935 1 8529 411.8255@0.8839999 11486 10027 8965 12474 8373 9218 10201 8230 1 9343 1 6582 1 7438 9086 1 1 8078 8627 11504 1 1 6804 13316 1 > limit Esi-0.84300023 :4 11795 12129 9481 9671 11640 12314 10544 9436 11579 9346 1 10141 10737 12191 11040 13431 10254 1 9943 11597 11458 11797 9992 1 6721 131.049@1.229 1 1 10969 1 1 14067 1 1 9891 1 1 1 12260 8036 7577 8680 10401 5867 8074 1 6798 1 1 1 1 C19 H2 O22 S 8322 10025 11110 9011 6592 12517 9037 12745 12231 8917 1 8493 9931 11216 11532 10554 7293 1 10942 9246 8568 8128 10755 1 10244 Esi-0.86099994 1 8856 9339 1 8904 7513 8149 7041 7013 9551 1 8552 8951 8703 8419 8613 7709 1 9274 9794 8255 8106 8087 1 7044 > limit Esi-0.8419999 :11 9431 9582 9790 10438 10571 11489 10676 9724 9238 9566 1 9538 9798 11512 11746 10116 10691 6384 10964 8483 10974 10848 9661 1 6463 845.797@0.85499984 6411 1 9775 10503 6315 7096 6349 9731 10305 1 1 12327 9418 1 12101 8039 1 1 9852 8194 9199 7190 14729 6740 14228 166.0485@11.815 1 1 1 1 1 13468 1 1 7750 1 1 1 1 1 1 1 8698 8047 1 1 1 1 1 1 1 631.536@0.8570001 8559 9851 9054 1 9760 9062 9514 8640 1 8924 1 1 1 9708 1 1 9551 10548 1 10239 9076 10639 8779 10117 1 Esi-0.84799975 :5 7612 8258 11192 11154 8997 8207 8403 10966 12106 7980 1 10523 11740 8451 11381 9949 8444 1 8264 7889 10951 8979 11501 7131 14003 595.9379@5.29 13744 1 1 1 1 13826 9760 1 1 1 1 1 1 1 1 1 1 1 1 13941 1 1 1 9080 1 > limit Esi-0.84700006 :9 10041 1 11369 11122 10030 11228 11879 10593 7238 12215 1 9955 8457 12905 10358 11092 9654 1 11163 10678 10323 9472 8328 8278 7386 C23 H17 N10 O18 Esi-11.932003 62415 63179 47632 70916 69647 48152 55406 34194 85278 66590 38810 28197 35087 83632 29100 202201 122597 46773 206691 38976 99055 66897 111841 32791 72154 C38 H69 N3 O3 6343 10193 12862 13855 8709 10641 9350 12676 11991 10772 1 11534 10773 1 10696 10993 9983 1 9078 8634 9935 8653 12238 1 12723 C5 H5 N5 1 11954 11141 9266 10441 11342 9691 13276 8860 12740 1 13715 10039 14545 15775 11593 8853 1 12792 10600 12952 9247 14924 1 10773 270.083@0.92899996 1 11191 1 1 11082 14465 12143 1 13135 10450 1 1 1 16806 1 1 1 1 14432 1 9709 1 9216 1 9310 C14 H22 O2 Esi-8.686001 12311 10393 10682 11447 12368 12475 12345 10415 12346 11491 9005 11032 12333 12377 9945 11353 13400 13766 13532 13923 14232 12226 12285 12291 12218 C8 H2 N S2 Esi-1.3958575 23946 1166716 23957 124551 118560 27851 96957 1 248981 14247 16484 254003 286595 26104 26838 1 1078081 1 372335 429887 144172 130843 1 453327 13629 499.9534@0.886 1 15029 1 12873 1 13857 12055 17210 12519 16317 1 1 1 13380 12133 1 1 7305 14209 12780 1 1 18456 7748 1 561.8946@0.81400007 1 13736 7251 7014 1 10862 7851 10235 9853 10873 1 1 10081 10871 10841 1 1 1 11476 6404 6663 6945 9177 1 6621 C38 H69 N20 O2 8936 10106 9049 8891 9503 7736 9655 10746 11231 9900 8432 8635 9031 9705 8282 8527 9488 14501 12657 11759 12614 13098 11879 11120 12321 C15 H4 O14 S 13381 12273 7447 7618 7093 10807 9079 9945 11341 9622 1 23682 8144 8687 10256 8703 17928 1 10452 14612 7768 7993 9136 1 25208 725.8764@13.627 1 1 1 1 1 7785 1 1 7268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 310.8676@0.7810001 1 8415 9958 11591 1 8620 9503 8363 9105 1 1 6092 8268 11477 11013 13753 10594 1 12274 14344 12949 8560 1 1 15066 C18 H2 O10 S 8128 12800 8831 7627 7927 10339 9514 8894 9172 9509 1 7512 10079 11105 11817 1 9699 1 10708 7131 1 10237 10615 1 7491 992.1081@0.9440002 8491 9760 8854 12832 1 7470 8635 9350 1 9376 1 1 6609 7249 10641 1 1 1 12798 9885 1 1 9634 1 10217 C15 H17 N4 12457 10763 10625 12577 11178 16647 14317 11603 14197 11069 10816 11514 14661 15565 12943 12969 10572 10941 17090 14570 12096 13942 13659 13239 11635 Esi-0.8419998 :15 11261 18696 14302 15902 14833 16481 14044 13763 14041 16889 1 12539 15184 15292 14645 14655 17424 14021 15398 14506 12192 14524 12054 13267 9749 Esi-0.866 :6 7852 11202 11802 11547 6807 10079 9947 13576 11515 10612 1 10135 8170 9907 10667 9753 7736 1 10198 6844 10195 10982 12487 1 10157 C15 H2 O8 7577 13126 9032 8794 9463 11769 10672 12696 10183 12518 1 8327 11630 11193 12425 8212 8034 1 11735 1 7296 10495 10628 1 9013 > limit Esi-0.8439999 :10 14315 14085 14153 14972 12994 11015 11470 13953 12093 11873 1 12583 13539 11169 13742 12587 10838 1 13702 12639 14424 13664 14845 1 13975 C5 H5 N5 Esi-1.5529997 1 13084 18478 9445 14018 28535 10662 9408 1 1 1 10049 1 15084 10668 11524 8157 12353 12942 11936 10250 1 14276 1 7256 192.0269@1.512 1 1 1 7133 1 16823 1 1 1 23484 1 1 1 20026 24071 23692 1 1 19195 1 15540 21746 1 1 1 375.9126@13.976 1 1 1 1 1 9634 1 1 10988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C46 H45 N14 S3 8789 8415 9088 9471 8465 6820 7146 12011 11900 8421 1 9741 8099 9133 10039 7117 7212 1 7340 8899 10019 8592 11139 1 9042 750.0708@12.115 1 1 1 16387 20582 26370 1 1 20162 29752 22464 1 1 16990 1 1 23384 30738 16912 18547 1 32611 13105 1 1 645.958@0.858 1 1 1 1 1 10366 1 10487 10571 9935 1 1 1 6872 1 1 1 1 1 1 1 1 10455 1 1 1077.7123@0.855 1 1 1 1 1 5709 1 1 5551 1 1 1 1 1 6587 1 1 1 1 1 6986 1 6479 1 14699 964.1948@0.9250001 1 1 1 1 1 7772 1 1 15183 8298 1 1 1 11638 1 1 1 1 6913 1 8304 8057 1 1 1 C5 H5 N6 10031 11496 14015 10361 1 13672 1 10586 12469 9624 1 8766 10946 11193 12460 9462 10605 13715 12225 1 1 13503 11499 13503 14326 C17 H4 N O12 9548 11098 9069 8022 10375 10925 12793 10837 13405 12287 1 7862 9969 9977 10610 11009 9539 12367 8768 8657 9260 9976 9509 10543 6900 C29 H11 Cl3 O19 S2 12985 16691 11378 12215 7520 13213 12282 15040 12186 9821 1 8972 9454 12075 10425 14178 11792 9733 10145 9430 9230 9252 10955 8985 7354 889.8768@0.84099984 6529 8807 6764 1 6637 6720 7637 1 1 1 1 7582 1 8512 6801 6242 6396 15585 1 1 6608 6111 1 12116 1 C15 H24 Cl N2 S3 12300 11983 12100 10760 10368 11027 12827 10653 1 9730 1 8591 11043 11773 14308 10265 11851 9571 13255 13780 8700 12028 14236 9831 10423 Esi-12.949998 15420 1 22465 11177 1 254832 1 36715 1 75217 1 37944 20919 1 35620 19183 111918 29785 32796 1 1 22811 35207 1 1 1134.0092@4.5540004 16968 1 9188 1 1 13150 14897 1 1 1 1 1 1 13043 1 1 1 1 1 11083 1 1 12221 10785 1 801.6804@0.87399983 1 8964 10076 1 1 11737 9763 7778 9510 10108 1 8428 9327 10543 1 1 1 1 9588 1 8260 7819 13716 1 7254 C30 H60 Cl N8 O8 S3 7543 9046 8250 7294 8064 9295 9584 9142 7896 10387 1 7251 8226 6946 6529 8298 9274 6492 7155 7597 9079 9564 5991 7977 7325 C5 H2 N O5 S2 41148 1 1 68885 51419 29012 46122 25139 79771 66817 232651 22085 119307 108782 23844 67384 40107 93317 53952 22133 64213 31096 28987 95551 98400 > limit Esi-0.8500002 9605 10257 9135 11850 10588 9100 9745 12942 9974 1 1 10047 14406 10544 11783 7543 11297 7169 11821 9564 12339 10267 10293 1 12735 > limit Esi-0.8460001 :11 16569 18798 13554 16292 17740 21877 18579 18509 17167 20463 1 18266 17313 20164 16726 17025 13129 1 19618 18353 18339 17806 18517 23346 15035 C22 H6 N O26 Esi-13.362 20455 27095 22996 28672 16176 110338 60758 27444 54448 42689 100933 24625 21590 26192 28501 18630 43826 31897 24355 23696 27681 28243 24382 36527 24634 608.7568@0.901 12630 11194 12465 14143 1 11613 11267 10285 1 12737 1 8871 1 1 11267 1 1 1 11889 12559 1 1 8488 11247 1 601.8264@0.889 6199 1 1 1 1 15798 1 10960 12031 1 1 1 1 1 1 1 1 1 15188 1 1 1 11148 1 1 C36 H55 Cl2 N8 O4 S 6994 7375 8014 7731 6337 6733 6573 7482 8889 6907 1 6275 9089 7407 7338 7073 7292 1 7485 1 7133 1 7172 1 7321 C8 H2 Cl N4 O3 S2 32338 24845 24523 26767 13645 23919 19302 20140 11698 21993 1 14221 14401 19968 24797 1 10911 1 29556 16784 1 12975 18693 24095 16284 294.218@11.091 1 10438 1 1 1 57729 1 1 1 1 1 1 1 1 16786 26357 19356 1 1 31933 1 12832 1 1 13291 C20 H34 O3 Esi-11.709 :5 500190 19706 316074 129102 1 545152 1 262049 65568 1 1 47663 192356 53224 59842 202050 199245 66255 135856 59390 79119 85548 8063 122644 50231 Esi-0.84799975 :6 7047 8615 10760 10999 9673 9446 9567 13611 11526 8821 1 12617 10308 7921 10404 7520 7942 1 8538 8051 12695 8797 11074 1 15507 > limit Esi-0.8450001 :14 15102 18612 17406 15173 14525 15751 13086 14576 15523 14901 1 14141 14719 16556 17159 14611 13986 1 17495 17089 13977 14934 18803 6838 13694 Esi-0.87600005 :1 9701 10679 12593 9946 10282 12928 10291 14765 9249 11830 1 11565 10614 10014 9416 9336 10327 9063 11355 10777 9118 9624 8800 1 9561 C21 H22 N5 O19 S Esi-11.908998 57336 56848 64402 66437 44007 73651 68027 54731 58062 66793 54978 49486 63731 64587 64654 52608 63151 58424 73365 53372 54299 118215 72542 64866 64522 541.5836@0.87399983 1 7770 8326 9519 7353 6522 1 8783 8014 1 1 8294 9229 1 7222 6392 7193 1 8678 1 8962 6687 7431 1 7715 C6 H12 O3 Esi-5.173998 1 1 12543 10261 8675 17008 8683 11814 12504 20014 1 8473 11990 10145 12406 10134 9293 12996 7317 20402 13562 13426 23969 21076 12231 667.7974@0.87800014 1 9956 1 1 1 7624 9678 10221 8386 13060 1 1 1 9219 7380 1 1 1 9823 1 1 1 11094 1 1 527.9512@5.285 14069 1 1 1 1 12168 8451 1 1 1 1 1 1 1 1 1 1 1 1 13401 1 1 1 1 1 > limit Esi-0.84199995 :15 12164 10649 10817 11169 10731 12924 10347 12157 12462 11921 1 12027 12700 10522 12919 11411 9950 1 12285 11903 12707 9960 14069 1 12434 205.9706@6.785 1 96515 1 98967 1 109820 1 1 1 1 1 105238 1 121514 1 1 1 130536 118114 1 1 123902 125174 116072 1 C5 H11 N S4 8296 7406 11586 11316 1 13644 1 10703 11230 8851 1 10486 7955 1 9457 7098 9466 1 1 1 7356 8578 14048 1 9330 C39 H35 N23 O3 7282 10272 11360 12721 9300 10430 9903 9512 9223 8486 1 9509 10700 10850 7969 10795 7797 1 8155 13147 10297 10044 10346 7033 7978 C47 H83 N7 O4 Esi-0.8929998 20695 22117 20220 23000 16352 15421 21711 20173 7338 18777 1 15196 13734 14412 21326 11590 16936 14311 21099 21163 7971 12613 13597 18630 13836 62.0173@0.95 1 1 1 1 1 14800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13465 1 Esi-0.8710001 :15 9779 9456 12515 10206 9449 10131 10950 11108 8845 9446 1 9527 8854 10053 10238 10870 11642 1 9953 9507 10226 9865 9354 7611 9390 > limit Esi-0.84700006 :10 11302 10951 12143 9492 10343 9576 11647 11197 9673 10978 1 11433 12789 10629 9943 9927 10997 1 11504 11038 10135 10629 10978 1 9329 > limit Esi-0.84199995 :16 8563 9061 11354 10416 10015 9631 8260 9753 10169 9482 1 11106 10835 10076 11625 9236 9302 1 7192 8893 11843 10710 8769 1 9560 340.0644@3.8849993 1 11909 8053 12000 1 9035 9526 9949 12456 1 1 1 7639 10238 1 1 1 12417 8351 1 10630 9856 9166 9996 10028 610.1167@11.627999 14670 1 22149 1 1 20904 1 15972 25302 1 1 1 12746 1 30061 25275 59688 24061 1 1 1 31830 1 1 1 C20 H4 N O17 S2 19390 33103 24486 19872 22408 30169 28358 24744 23209 34752 1 15819 21551 32367 21987 28583 25614 1 26603 22093 22433 22038 24831 41459 12373 345.1905@13.628002 1 1 1 12830 1 12165 10954 8093 12191 8626 1 10438 1 1 9950 11223 14778 7848 6749 7388 1 8265 8085 1 1 563.8532@0.8660001 1 1 12458 8572 8267 12626 11332 11551 14836 10362 1 7357 12229 14522 11132 9289 1 1 10071 7855 1 1 19241 1 9507 C19 H24 N2 O22 Esi-11.697999 :1 30545 29478 46476 42006 22884 57869 29806 36025 52545 33539 36314 32882 53936 38726 46883 47856 66284 59633 42373 52674 31184 39280 29276 39349 22132 C3 H O3 S3 18793 20494 24415 24931 20479 20222 23119 21980 18320 18630 1 32305 20537 26996 24208 25687 26743 10093 51225 34617 44649 27573 1 8734 51584 837.7083@0.8640001 1 1 6061 6435 5883 7905 6722 9214 1 6624 1 8254 7847 7767 10232 7102 1 1 8020 5610 6014 6991 9846 1 1 1103.7653@0.84099984 8887 13330 1 1 10346 10770 10236 1 8122 12375 1 1 1 13984 7216 7664 11356 13155 8505 8269 7393 9288 1 11278 1 C8 H N3 O6 S Esi-13.378999 1 103134 35739 29974 12868 43499 26075 32825 35012 22694 33310 87851 29145 1 37312 58072 30170 21504 19149 1 1 20711 1 1 21441 C19 H O13 6764 9965 11014 9005 9968 9140 10431 10689 10610 9223 1 13278 10134 10053 9356 9033 10974 1 11983 8910 10390 8333 10146 1 11280 C42 H35 N19 12513 8752 9693 9886 8527 10136 9580 8567 10037 11387 1 7591 11733 10113 9195 8730 8553 6785 10795 9458 6954 10188 9736 6348 7635 C5 H9 N7 O2 Esi-1.3239998 88100 90692 88440 36540 66697 94102 99898 74927 68365 72004 1 27668 26593 54544 61765 66488 68885 25429 114039 121377 89455 121580 161786 103406 66588 310.2141@8.608001 76129 1 29008 44497 1 16083 1 32039 13682 1 1 29139 41466 13319 32468 21205 1 1 33362 52965 1 27197 1 62120 13176 > limit Esi-0.84199995 :17 10794 12332 13116 13732 12962 12373 12564 12342 12351 12593 1 11228 12309 14999 13288 12765 13928 1 12082 13442 12682 13550 12487 1 10229 512.4066@13.021 1 1 1 5944 1 13525 1 1 12589 1 1 1 1 1 1 1 12970 1 1 1 1 1 1 1 1 > limit Esi-0.8439999 :11 16750 17266 15723 14511 11719 12415 11690 18124 13642 13920 1 14934 16536 17505 16555 15240 14031 1 18527 15882 16307 17627 17626 1 13281 C31 H30 N5 O23 Esi-11.287999 35359 1 23886 27175 1 27905 1 28496 17820 1 1 15544 27599 11292 16046 20560 25125 12536 28749 15941 1 18325 1 20824 1 240.0837@1.207 1 1 1 1 1 6822 14025 1 1 1 1 1 1 1 1 1 1 1 7753 8167 1 1 1 1 33458 C34 H71 N4 O4 1 10787 12161 11600 7617 9916 11280 11817 10573 9581 1 11655 10152 9435 11090 9232 9379 1 9271 8227 9116 10777 8556 1 9963 > limit Esi-0.8460001 :12 10100 11563 12997 11928 10049 11266 12276 11960 11234 12774 1 12052 10112 10841 13925 11822 12168 6621 11030 10848 11931 9549 12536 1 9691 695.2784@12.776 1 1 1 1 1 7145 6555 1 15644 1 1 1 1 1 1 1 9350 6881 6576 1 1 1 6011 1 1 Esi-0.8649999 1 11601 10549 6376 9428 9002 5782 10341 15944 1 1 11068 9675 9920 5527 5285 6844 1 8679 7088 7182 7748 13351 1 6664 > limit Esi-0.8450001 :15 9655 14501 7941 8380 10906 9162 9327 11253 8694 9718 1 8673 8812 10230 10671 11242 10315 1 11661 9287 8185 8258 9761 18188 6973 232.9398@0.767 15860 1 1 1 1 12737 1 1 1 1 177350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H3 Cl3 O S5 7795 10863 9094 9175 7605 9452 10504 9846 6928 10146 1 8690 8120 8394 9716 8819 9744 13066 9638 8396 7034 8049 8743 13849 6197 > limit Esi-0.84799975 :7 8429 9775 12229 9527 9258 11044 8927 10293 11550 12504 1 12900 8818 9514 11722 9305 9384 1 11281 8442 8010 9646 11585 1 8803 Esi-0.8710001 :16 8443 11132 11541 11392 9935 10726 11541 12414 9638 10906 1 10455 11435 9125 8277 9625 9842 5705 9946 9842 7689 10069 10637 1 8374 C50 H104 N3 O S 7447 7047 13501 12811 8763 5792 6783 13198 12889 12468 1 10181 6789 1 9810 8489 10067 1 9930 7522 8423 6841 13878 1 15421 499.8877@0.849 19782 23794 1 34299 1 31301 21550 1 1 22560 1 1 1 1 38961 27232 23436 1 36725 21841 39838 31161 1 1 53929 C30 H49 N14 O9 S2 9806 11670 12273 13946 8991 10988 10506 12516 12952 11451 1 11163 12143 12182 10900 9896 8761 8161 9268 11679 12850 9777 12362 5723 12366 208.0956@12.947001 5956 1 12492 7666 1 53137 16508 24010 31111 15480 1 1 13843 1 12658 1 12860 1 23159 1 1 1 1 1 1 1021.588@0.894 8121 11256 10917 13537 1 10102 12288 8762 1 9105 1 7111 1 9932 9424 1 1 1 8725 10388 1 1 8142 10081 1 C22 H7 Cl3 N O24 S2 12655 12127 9368 10263 8591 11735 11131 13268 10246 11538 1 10820 10196 8170 10660 10474 10663 1 8339 6192 7412 5911 10630 1 1 > limit Esi-0.8400001 :4 11060 12828 8440 9920 9758 9910 10860 6926 6434 10929 1 8073 8890 11651 8776 10099 13787 31164 9410 10434 7461 9300 1 28585 1 C39 H5 N2 O16 9199 9675 10943 12728 8057 8255 9571 12264 1 8111 1 12778 8691 7283 10840 1 7502 1 14052 10528 7703 7945 12917 1 12709 > limit Esi-0.8409998 :12 12932 13811 12671 11880 14436 12107 13704 10312 12355 14785 1 9736 10915 11791 13339 11411 14224 19478 11699 11621 13465 12406 10442 21754 9601 580.8295@0.89700013 1 12126 12110 9319 9297 9303 10174 13433 8057 12970 1 9217 9943 10987 10372 9066 1 1 14541 1 1 1 12072 1 8078 160.8759@13.361 1 36512 1 1 1 23057 1 1 14277 1 1 1 1 1 1 1 10428 1 1 1 1 1 1 1 1 89.0162@0.958 1 1 1 16051 1 16967 1 1 1 1 1 1 1 1 17709 1 1 14042 1 1 1 1 1 1 1 551.5601@0.88000005 1 5824 10089 10553 5950 6347 1 12545 11806 1 1 12479 9898 5895 10626 6824 1 1 6017 6351 8416 6996 11317 1 13726 > limit Esi-0.8460001 :13 8936 8518 9160 7271 7331 8273 8902 7590 7310 8438 1 7385 1 7968 9417 8535 7571 7247 7721 9486 7455 6773 7723 5850 6103 > limit Esi-0.84700006 :11 7492 7639 11976 10848 9574 7190 9294 10590 8528 9112 1 9128 9336 10450 9506 8344 7508 1 8801 9100 9029 10683 8397 1 8376 C13 H24 O4 16880 10504 13832 14655 14760 12513 17797 14189 10676 13993 1 1 11411 13765 11645 11043 11119 13472 13449 18612 13608 13408 15813 15044 10836 > limit Esi-0.84199995 :18 9729 8314 9651 11454 8934 7926 6990 10318 10313 9144 1 11010 8697 8936 10335 8047 7230 1 8435 7915 10571 9264 8853 1 11173 511.9261@0.89200014 1 10848 1 1 1 12041 8676 10758 10711 11713 1 1 1 13633 7960 7785 1 1 8894 1 1 7099 9571 1 1 > limit Esi-0.85099995 10726 1 14462 14087 1 12355 12359 12090 12939 9926 1 13909 11419 12566 13628 11271 9223 6603 10402 12443 12924 13106 10930 1 10327 Esi-0.9480001 1 17954 14455 17938 10425 14608 13507 14818 1 16505 1 13997 1 12637 17095 11626 14475 14368 11182 10665 1 10295 13969 17821 9968 C19 H3 O15 Esi-0.94899994 :1 43616 40922 42803 29876 36492 54810 32483 50767 42308 43771 1 44774 43261 35684 33726 32659 39487 1 52320 32266 34330 37526 42584 1 38501 983.9944@12.381 1 1 1 1 1 17806 17779 1 1 1 5207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8419998 :61 12205 11917 14134 11492 12802 11207 10689 12484 12053 10418 1 11340 11608 11677 12452 13100 11068 6833 12840 12613 12227 12461 11577 6435 13017 186.0637@0.99 15903 9117 1 1 1 6190 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8439999 :12 14013 13201 11215 9854 13130 12436 10716 12844 9486 14310 1 9863 9947 11016 9108 12968 12509 18162 11045 12218 11113 9117 8818 16947 8081 C14 H5 Cl N4 S 12688 13433 13848 13181 11721 11195 12419 12507 14176 13430 10722 13034 12264 12922 11749 9759 10763 9869 9430 11203 11751 12136 11633 11515 10379 Esi-0.875 :7 1 11705 11072 11847 10193 11495 12049 13284 11234 11208 1 13304 11152 10339 12249 9911 8921 10010 8763 10098 11624 11407 10471 10722 9973 C12 H15 N5 O2 Esi-13.627002 7946 1 8964 23071 1 61927 16690 17896 34627 22160 1 23989 13166 8067 20841 30271 26646 13035 17276 13786 13288 18097 15135 12513 12346 C47 H79 N16 O2 11089 12523 11600 12977 10446 10166 13062 11986 6655 10986 1 6697 1 9706 10095 6590 9182 1 13543 13521 1 7796 7619 9155 7337 C40 H39 N21 O4 15300 16608 15886 13793 13778 15775 17909 14109 12376 15744 1 14603 13469 15216 13443 15880 16741 14598 13567 17684 12207 15030 9497 15159 8490 605.0354@0.962 1 1 13528 1 1 7685 1 8884 8034 1 1 8009 8181 1 1 1 1 1 7215 1 7006 1 10883 1 1 608.1791@10.062 8627 1 1 8011 1 10385 1 10729 1 1 1 1 1 1 1 7581 10851 11211 1 1 1 1 1 7711 1 > limit Esi-0.84700006 :12 7311 9341 11238 11239 9923 7072 7278 9054 11824 7941 1 9281 10797 8168 11623 9513 7747 1 9970 9093 11551 9671 12570 1 13591 C18 H34 O3 Esi-11.585002 17508 1 36330 24297 1 72897 1 32373 74859 1 1 29973 36085 1 24561 34510 39057 23834 39227 1 35141 40293 1 24463 1 759.7059@0.86699986 1 10137 11165 8592 8819 10897 8353 11361 7330 8405 1 11190 8904 8285 6560 1 6311 1 1 8029 1 8818 11998 1 7822 > limit Esi-0.845 :5 8486 10417 10092 12649 10311 11585 10662 8154 9984 11430 1 10228 11194 11127 11904 12041 11781 10152 12425 10651 11559 13782 9418 11384 10956 456.2099@11.752999 12140 1 6311 1 1 17437 1 8089 1 1 1 1 8599 8222 1 8488 18511 1 12436 1 1 1 1 1 1 945.3368@0.842 7568 8481 1 1 8669 5701 7654 1 1 7363 1 6841 1 8531 1 7746 8194 12722 7263 7301 1 6502 1 10616 1 613.5185@0.88000005 1 1 12797 11921 7425 6874 6338 10283 9179 5630 1 13415 8632 1 8253 5771 1 1 7541 6765 8188 7016 10543 1 12700 C3 H2 Cl2 N2 S 9006 9598 9735 8910 7889 8535 7588 9145 9349 10348 1 1 11848 8917 9347 11761 8422 1 8124 8265 1 11253 10961 1 9104 316.0912@3.067 13398 1 1 1 1 6700 1 1 1 1 1 1 1 1 1 6644 1 1 1 10299 1 1 1 1 1 C40 H24 N5 O21 Esi-12.281999 1 26112 31235 14919 28984 50408 1 1 14610 20100 24000 23224 39688 26395 1 1 32053 22306 15342 32548 15408 19425 23663 15959 19033 479.3002@11.534 1 1 1 9721 1 12043 10376 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H30 O3 Esi-11.556 92795 9184 59741 20217 1 91232 1 42468 17118 1 1 19994 85339 10174 22711 53412 10122 7529 43938 22941 1 18858 1 10856 8868 Esi-0.8920001 :1 11509 11461 10024 13126 8036 7973 12649 9412 1 9490 1 9096 8372 7882 12645 8057 6752 9836 11543 10300 1 1 7102 12554 7538 C50 H51 Cl2 N9 O4 10671 9262 7483 8896 10453 9521 8420 1 1 9492 1 1 7108 7603 8057 9115 9277 18051 7569 8030 1 8754 1 17171 1 C29 H23 N4 O17 Esi-11.578999 24663 87042 377362 61327 143338 26016 29939 28508 39472 42827 71856 55026 55552 151561 118473 34304 61164 331623 39304 57104 64940 81515 79344 62959 71439 651.8203@0.8739999 1 10405 7960 1 1 11318 11000 8189 16024 13067 1 1 8059 9614 1 1 1 1 9129 1 8342 1 19705 1 20139 > limit Esi-0.84600013 :15 8193 8575 8071 9368 7750 10161 6478 7816 6787 7486 1 6472 7124 7209 8372 8463 8940 8378 9030 8863 8217 8088 6496 9635 7714 676.1662@10.059 1 1 1 1 1 8725 1 1 1 1 1 1 1 1 1 1 10366 10600 7772 1 1 1 1 1 1 C10 H2 N Esi-0.9580001 24201 29929 30265 29978 28815 31694 24816 35859 10080 32276 1 31405 26795 32411 32014 26717 17713 17041 41329 28368 23290 27038 32388 17221 30563 C11 H14 O3 Esi-8.933 13072 11685 13463 18736 12821 14593 12434 14007 14830 14236 8666 13628 14076 10944 12247 10705 12966 19725 12779 13038 13550 13381 15664 15143 13881 > limit Esi-0.8450001 :16 9103 8580 7935 7920 8346 10121 6682 8250 7900 8502 1 8243 7526 9830 7728 8692 8446 7195 6853 7478 9176 8311 8755 1 7331 C14 H8 O18 11488 8686 8668 11261 8290 12365 11315 9565 8973 8823 1 10831 11317 12263 9000 12615 13181 13321 12543 10417 9705 11812 11246 10110 12066 C30 H21 N9 O23 43092 1 1 22803 21386 19756 37310 13939 17655 12670 1 28818 21418 13767 28506 13123 14830 15354 13992 15938 15392 13961 14188 15732 12586 491.9506@1.0130002 12719 11129 10098 1 11310 11742 9856 10061 10359 10245 1 12594 10259 12561 1 1 1 1 13852 1 9164 1 8343 1 14269 C31 H43 N28 O S3 8641 8452 9650 9652 9558 9756 9395 7590 6617 9520 1 9497 7865 10417 7717 10963 9655 1 8708 9999 8425 10148 1 1 1 > limit Esi-0.8419999 :12 10576 12776 13434 11862 13333 11768 10532 11863 11478 10518 1 10878 12347 13036 13291 12201 10252 6113 11100 11110 13628 11182 12112 1 11615 418.2926@11.749 1 1 1 1 1 32721 1 1 16936 1 1 1 1 1 1 1 15421 1 1 1 1 1 1 1 1 C40 H85 N13 Esi-0.875 15497 18920 17554 21150 12285 14824 16646 19890 12344 17238 1 16246 13707 18698 18558 15581 12966 18108 17176 16835 11505 15344 17634 22990 15200 C33 H25 O25 63910 59070 13931 64571 22430 58912 79073 23832 53043 92410 50188 73410 9646 78587 75021 56801 81574 52934 86387 25902 7490 15615 17264 9644 171899 > limit Esi-0.8439999 :13 9087 9082 11379 9725 10874 9926 8310 12372 11410 10300 1 10074 9383 8132 11189 9047 8080 1 8321 6551 13275 9120 10621 1 14024 C18 H2 N2 O20 8001 9176 10749 10703 11775 10918 10273 10769 11640 10141 1 11271 10887 10837 11111 11119 9814 1 11119 9103 9742 9665 9898 1 9598 C19 H10 N4 O14 12154 10831 9984 11171 11041 11390 10670 8509 11296 11998 11078 10498 10053 13038 9836 12018 12843 14146 15685 11753 11841 11290 12461 12067 13708 C27 H59 N15 O12 S 6383 10107 8083 1 7072 6571 7433 5604 1 7447 1 7630 6082 6747 1 7258 7047 8291 6509 8387 1 6862 1 6218 1 422.2293@9.602001 1 22056 1 20761 1 29322 16338 1 43646 30279 1 37624 75101 27837 19239 17876 64344 1 17547 22226 54232 19683 1 29504 15796 C8 H18 Cl N O5 313226 13652 150705 28459 1 335800 10211 166826 68385 12553 1 34552 169577 60950 24523 95333 104838 19353 95755 28494 27210 41438 18016 13432 13591 C5 H Cl3 N O S5 7285 10188 9863 10721 8606 9609 7589 9534 10098 8756 1 11447 8973 7097 8099 6456 7092 1 8386 7480 7487 5921 10916 1 7859 Esi-0.8760001 1 8461 12357 11909 9173 8978 8668 12644 9016 9080 1 11234 8092 8358 10170 6926 8317 1 11021 7620 9607 8377 9634 1 10685 C33 H50 N S Esi-13.358001 :3 74911 63536 167031 355087 71830 462214 292587 242505 602649 230020 38976 122663 180544 72934 267051 172916 556002 198718 271089 63530 86024 142202 162177 74861 70882 C13 H N O18 1 10946 10451 8676 11411 9415 10511 11482 9334 10626 1 11456 9279 9610 10316 9591 1 1 15267 1 10285 8873 11460 1 11492 C18 H32 O4 Esi-11.395998 :2 50751 12368 11186 65364 1 69450 13693 31690 39556 23562 1 23461 19397 29563 22108 27635 61913 54634 1 34051 18891 18410 1 72920 1 > limit Esi-0.8419998 :62 13747 11471 12213 10299 11118 11536 10151 12299 10412 12280 1 10154 9048 10821 12449 11749 9438 10886 11118 10174 10638 10687 10985 8789 8637 C4 H6 N O S2 Esi-1.2409997 17165 58488 71556 56665 40559 45053 49375 24888 49455 42545 1 49615 67092 11425 58774 64952 78061 45413 62286 54996 77538 75795 82490 50167 59470 Esi-0.875 :8 12860 10791 10822 11191 9388 10496 10706 11291 8249 9883 1 10323 10893 9065 9592 10635 9923 1 8992 10492 8311 9335 8888 1 8161 193.0742@5.231 1 1 1 1 1 13213 1 1 1 1 1 1 1 1 1 1 11569 1 1 1 1 1 1 1 1 Esi-0.9308998 65647 1 49016 1 1 51181 74846 55329 64606 1 1 66794 51029 67860 45454 149025 1192038 69325 12193 53261 81288 48659 62750 72531 13699 C29 H18 N16 O10 Esi-11.615998 117305 103991 16909 86843 41032 86399 110010 118531 129446 109381 29925 137040 132448 37896 124820 129716 186978 126929 158072 22051 37686 190311 114445 10857 48657 237.1119@13.625 1 1 1 1 1 9754 9380 7959 9431 1 1 1 1 1 1 8152 10731 1 1 1 1 1 1 1 1 Esi-0.8760001 :1 8574 10081 8795 11142 7920 8733 9130 8701 5823 10297 1 8076 1 9187 7743 8687 8827 13118 7347 9057 7182 7888 1 12123 1 C31 H8 Cl3 N3 O24 S2 13397 14120 10375 10463 9736 12036 11158 7604 9477 12001 1 7554 8136 10514 7697 10217 10479 9595 10451 10479 7852 9403 9277 8950 1 C3 H5 Cl N2 O S2 8577 13108 9453 9921 1 11812 8669 10682 11042 9389 1 1 9414 10078 9511 10892 9258 1 10270 7933 9303 10053 10181 1 10146 C36 H55 N9 O13 S2 9548 11869 12388 11725 10700 9969 11440 11799 11317 10817 1 11091 10288 11442 11193 11400 12240 1 10045 10621 10184 9870 9179 1 1 Esi-0.87299997 8362 9515 6770 8447 6976 9329 9434 7832 6575 9318 1 7178 6487 7249 6260 9560 6914 12299 10057 7260 7305 8261 6319 13107 1 C37 H34 N19 O4 6556 7047 10230 7853 7993 6886 6264 10034 9670 1 1 6538 9021 7572 9232 7104 6486 1 5820 6411 8085 7595 9584 1 11146 C38 H79 N8 6948 7728 9877 9711 9181 10894 9671 9497 8619 1 1 7532 8598 9346 8836 7300 7082 11703 7809 7322 1 7734 9347 10764 8217 Esi-0.8710001 :17 1 7761 10474 7662 8407 11035 8799 13085 7757 1 1 8645 10191 7739 12979 9483 1 6284 11667 1 8118 6265 10780 1 10885 C22 H8 N7 O21 7048 9286 9441 1 8235 11459 9582 9726 10436 6356 1 8866 9234 8116 7461 7703 7349 1 9735 7113 8521 9704 9359 1 1 > limit Esi-0.85799986 8373 9224 12820 12094 9511 9637 10555 10699 7981 9928 1 11353 11921 9875 10974 7909 8590 8638 10795 9199 10161 9003 13203 5946 9257 Esi-0.86499983 :26 6758 7909 10341 9184 7843 9688 9281 11515 8997 8537 1 8029 8241 7981 9469 7501 7928 1 8983 8397 8147 7990 9242 1 10229 C29 H15 N6 O8 39232 38935 44368 34988 39062 50286 39223 39148 39245 40747 42661 38619 45436 38140 36828 40556 49432 47836 42168 45929 34032 43553 45309 44347 43568 796.0821@12.119 1 1 1 1 1 14461 1 1 1 1 1 1 1 1 1 1 35925 1 1 1 1 1 1 1 1 C19 H21 N7 O18 Esi-11.252001 28312 11867 57056 54798 73021 23235 84220 15326 80812 105810 75237 10988 10196 67668 66361 67870 73709 102419 27897 65712 77485 93404 81571 112957 71503 C12 H15 N5 O2 Esi-13.358001 23404 24612 38557 68647 23212 71792 54365 50799 85461 39286 16115 41617 37606 24416 48760 37677 60059 35822 40511 19303 23277 28424 28689 14875 22626 Esi-0.8630001 :4 6654 11148 10629 10203 9936 10578 9942 12976 9439 8718 1 9154 7093 6490 10324 8020 9995 1 9550 9340 11882 7136 11548 1 10180 C17 H13 Cl2 N6 O13 S4 12803 11503 9540 8952 11037 10023 11026 9976 8928 12046 1 10801 10793 11248 9965 12142 12154 10842 10054 11154 8755 8448 8614 8160 6540 > limit Esi-0.84099984 :1 7979 12900 5644 8314 9678 9192 1 1 7802 10825 1 6600 1 1 7565 8439 10355 10046 7690 1 7542 8762 1 11328 1 > limit Esi-0.84300023 :5 11133 12557 14318 10791 13466 11524 11141 13465 12253 12310 1 11928 12582 11533 10837 13214 10255 6646 13038 11637 12897 11073 12561 1 10428 3-hydroxy-3-methyl-Glutaric acid Esi-0.933 80360 131354 112198 10934 125230 117333 133619 80010 110423 108544 1 9278 93682 101587 11320 212452 46625 17684 97928 10776 151358 117123 14334 11228 95712 > limit Esi-0.8419998 :63 17319 16817 14893 15248 14480 18127 14192 13464 13445 15058 1 12119 15097 17617 14056 16005 19256 37619 15043 17867 14617 14044 15488 39544 13186 187.1208@5.1490006 1 1 1 11063 1 8231 1 1 1 12889 1 7478 1 9008 8115 1 8804 1 7223 6893 10305 1 1 1 7919 466.3651@12.547 1 1 1 1 1 37488 1 1 22661 1 1 1 1 1 1 1 9889 1 1 1 1 1 1 1 1 C22 H21 N O17 Esi-13.584284 26385 24378 20599 17281 26571 18130 1 15125 23202 32879 1 20502 16891 25625 1 17789 16432 23712 25481 27508 51408 29263 1 30154 21001 C35 H64 Cl N10 O2 S5 8679 9420 8857 9965 9863 9209 9794 10020 9235 9376 1 10225 8250 12527 9205 11316 9503 1 8570 8970 9038 8510 8481 1 6707 Esi-0.8669999 :1 1 7938 11677 10957 7067 7870 10841 11556 7485 8853 1 8165 7508 6986 9659 1 6291 1 7281 7886 8494 7175 10957 1 9038 Esi-0.86600006 :2 6810 8885 9792 9960 8165 9544 9858 9426 1 9104 1 7330 6251 6380 7120 8174 1 1 9831 5505 5378 6184 8125 1 8294 Esi-1.5690001 :2 36207 21273 67272 48353 121699 47863 97226 33479 97674 110872 1 79976 48800 119223 106916 50967 203416 320336 107368 49295 31158 62135 75590 56959 38476 C36 H2 Cl3 N2 O14 S2 12366 11700 12585 13427 12363 12487 10909 11523 12090 12276 1 13502 11401 11326 11879 11015 9386 6062 13606 9808 9261 9132 13489 5506 13590 C18 H36 O3 Esi-12.0523205 29127 23118 39879 28064 41776 67522 28682 77953 28152 25731 67828 34986 77497 91437 25619 33188 49792 48807 34978 46253 105099 26978 24220 40080 15662 > limit Esi-0.8439999 :14 12173 12780 9295 8734 9173 10797 11756 7065 7754 11773 1 6542 7650 10873 9860 9848 11299 10327 6784 9597 7462 8644 7751 10787 1 > limit Esi-0.941 :1 8490 9996 1 7510 6124 12692 7932 10561 8256 12041 1 1 7560 12291 9085 9318 6075 1 20816 1 6223 10312 11153 1 11649 C6 H6 O3 1 11493 13397 12790 13721 15018 10919 12736 12108 1 1 12295 11619 12582 10257 13253 11443 10998 12280 13310 12800 10549 1 9961 12494 Esi-0.88699996 8831 8627 8461 8380 7514 8196 9773 8519 6194 1 1 8705 8190 8277 7845 8154 8761 13090 1 9851 6618 8168 7250 12789 1 Esi-0.875 :9 7555 7478 7694 6532 1 8340 8487 6983 5530 7541 1 7506 6858 7486 5618 6677 6574 1 6542 7026 6893 6851 5633 1 1 > limit Esi-0.8460001 :14 9136 9579 11934 9457 9482 8405 8933 8808 8290 9578 1 9522 10848 10437 9389 10504 9848 6227 9795 9659 10396 8672 9338 1 8288 328.2043@11.263 24667 1 16165 13947 1 21181 1 1 1 1 1 1 13621 1 1 1 1 1 13893 1 1 1 1 1 1 > limit Esi-0.84799975 :8 11806 11487 9395 12563 11427 13537 11643 11536 11618 9407 1 9987 10732 10891 10019 10631 11321 8573 10624 12778 10414 9711 11902 8975 10238 > limit Esi-0.8409998 :13 10982 12776 13771 11862 12518 11099 11239 11065 11478 12665 1 9724 10959 13036 12000 11910 12658 10762 9917 10562 11771 10263 11487 9250 11615 272.0579@0.9440002 10829 9234 1 8968 1 9120 9804 7612 1 11017 1 1 1 7888 1 1 1 1 11099 12117 1 1 7611 1 1 861.2901@11.078001 1 1 12694 1 1 13578 1 1 1 1 1 1 1 1 1 1 9386 13868 11918 11630 1 1 1 9668 1 C41 H89 N9 10560 14137 10958 9451 10187 12844 10340 12552 8542 11838 1 10875 9389 8805 10661 11129 7903 7585 12080 11573 8014 11003 9166 7355 9181 782.9803@0.9119999 1 8956 1 1 6990 8279 6720 9753 8862 9868 1 1 1 9218 1 6882 1 1 12651 1 7363 7170 8611 1 8174 > limit Esi-0.8439999 :15 8563 11200 9185 10659 11861 11852 11543 11239 8731 11763 1 10352 9381 11293 10500 10029 11242 14414 9347 12247 11063 8592 9969 12837 9015 202.143@1.027 13286 8710 1 1 1 6718 9128 1 1 1 1 1 1 6856 1 6727 1 1 6128 10762 1 1 1 6813 1 272.8154@15.680751 118575 1 1 1 1 85257 1 41896 293802 39510 36242 1 1 1 1 1 1 29377 68115 1 1 1 1 1 1 268.167@8.539 1 1 1 1 1 11143 1 1 1 1 1 1 1 1 1 8170 9234 1 1 1 1 1 1 1 1 746.085@11.641 1 1 1 1 1 11470 1 10691 10497 1 1 1 1 1 1 11864 11156 13275 1 1 1 1 1 1 1 > limit Esi-0.84600013 :16 12200 14866 12685 11116 11362 11622 11478 9683 11773 9970 1 12371 10552 12910 9837 12719 12778 12601 11046 11319 10481 12950 12530 12937 8878 C8 H5 N2 O2 Esi-0.9470003 32741 44720 43231 44559 31958 47494 38667 48521 13052 42673 1 35809 36009 40199 50704 32230 40855 27048 47857 36507 24115 33019 44252 35869 37085 > limit Esi-0.8409998 :14 11114 11531 11799 11255 12712 9747 10830 10682 11478 10033 1 11125 10397 11270 11633 9976 10708 1 9233 10634 11742 11396 12479 1 10702 697.9711@0.8579999 1 7806 1 1 1 9223 1 7484 8635 9289 1 1 1 7681 1 1 1 1 5708 1 1 1 8278 1 1 662.7974@0.88600004 1 8874 7641 1 1 9845 1 12426 7831 11020 1 1 1 9498 1 1 1 1 9660 1 1 1 7055 1 1 C10 H2 N2 O2 S2 8280 11025 9497 8952 8985 9930 9504 12853 11515 11380 1 8169 1 9456 8901 11950 10295 1 11420 9048 9698 1 8450 1 10371 > limit Esi-0.84199995 :19 8022 8359 8021 6116 9947 8701 8579 6298 6989 8260 1 6463 6311 9062 7749 8838 9728 1 7528 7883 7991 7617 6616 1 1 C37 H12 O 1 8532 7024 6393 8594 6655 10313 1 1 7983 1 1 7048 8626 9526 11472 1 12631 7040 9275 9285 10326 10113 11085 8578 C38 H2 Cl N O18 S4 9588 11653 10677 11290 11245 10891 11009 11079 11074 7972 1 11022 10010 9940 8132 8752 9373 1 11854 9597 9395 10097 10876 1 9358 C49 H41 N6 O2 6736 7904 9517 7526 7050 7512 6939 8509 8678 7308 1 7014 6969 7475 8887 1 7953 1 8356 7218 7762 7250 7598 1 6634 C33 H67 N9 1 7474 8510 10031 7887 8758 7091 10702 8467 6917 1 9601 8767 7733 8848 7507 1 1 8285 7674 8689 7379 9083 1 7616 1369.2136@0.8439999 10450 1 1 9838 1 10090 9427 9080 8774 1 1 1 1 1 10803 9811 12911 8590 1 1 1 1 1 10223 1 > limit Esi-0.84199995 :20 14635 17363 12932 14308 18661 13902 16347 14360 10603 17030 1 18746 14569 17018 17471 16390 18154 1 16276 17830 15806 15083 16344 1 16067 C4 H12 Cl N3 O2 S 1 12823 9882 14781 8312 10318 9877 12850 1 12419 1 10605 7099 10065 15086 6935 11858 8233 12015 10379 1 7941 10680 11099 8377 827.6888@0.875 1 10174 9901 8272 7510 13497 8738 7032 7254 11295 1 1 8531 8837 7725 6471 1 1 6362 1 1 9098 7503 1 1 C4 H11 Cl N S3 21673 140054 134287 152184 138211 138512 142865 114818 145466 145187 110465 146602 109086 154504 158500 155242 161984 199325 155774 64544 159172 147926 59070 161735 130654 270.2198@11.922 1 1 42086 17687 1 17909 1 1 26220 1 1 1 1 1 1 1 44158 1 1 1 1 1 1 1 1 311.7914@0.87600017 1 6809 10918 11254 5996 8279 1 12227 9830 5705 1 10830 7584 7268 8374 1 1 1 6974 7586 9153 6412 11727 1 12543 C23 H10 N3 O4 1 11230 1 7221 8672 8430 8734 9692 8495 8412 1 8122 9096 10706 11710 7101 1 7391 10946 7053 7560 8591 9562 6865 12535 406.2359@11.252 1 1 1 1 1 31604 1 1 15366 1 1 17629 32322 1 1 1 9750 1 1 1 24090 1 1 1 1 > limit Esi-0.8439999 :16 6830 9950 8382 10686 10156 9659 8883 9550 8699 9812 1 9077 8772 8518 8639 8349 7841 1 9471 7987 9133 9819 8798 1 6769 Esi-0.8649999 :1 5767 7605 8684 9549 7285 9422 8192 11268 9657 7236 1 10900 9596 8278 9692 7544 1 1 8189 6569 8938 8260 10015 1 10136 933.3104@0.8520002 8406 8690 8040 9444 1 8472 8284 7252 1 1 1 1 1 1 1 9942 8788 12510 8176 8241 1 7159 1 8696 1 C31 H62 Cl3 N2 O8 9918 12634 9621 8927 9044 9632 8892 8380 8707 10375 1 7556 8103 9340 10098 10224 8957 6428 8030 7283 7563 9478 8617 6956 7854 C18 H30 O3 Esi-11.488003 694434 15588 136875 307914 25884 703030 11984 285269 179198 28532 1 104073 278140 79642 91305 173154 235689 84926 227675 97284 50036 123219 36291 147078 38065 738.1389@11.413 1 1 1 1 1 15797 1 1 1 1 1 1 1 1 1 9448 1 1 10854 10294 1 1 10248 1 1 C28 H61 N11 O10 1 7776 10377 11488 7836 8011 7762 9629 9174 7721 1 10818 7999 6403 7205 8007 7042 1 9072 8555 9118 8556 9330 1 10007 C26 H40 N11 Esi-13.359998 9224 1 20048 42586 1 72743 31680 30176 72451 27355 1 14061 24168 11017 30420 22686 57917 27935 28563 10142 14828 18096 16747 8886 9391 603.7054@0.86999995 5712 7337 6536 5949 6255 7167 7223 6172 1 6769 1 1 1 6313 5422 1 5767 12465 5621 5491 1 1 1 11575 1 > limit Esi-0.8419998 :64 12470 12738 10752 11258 10870 11009 12090 10715 11764 12187 1 10232 8227 13511 12119 12081 12416 22331 10272 12218 12591 10511 12269 22375 8225 735.603@0.85799986 1 7437 9427 7702 1 9183 7093 1 1 8524 1 1 7040 7455 7246 1 1 1 1 8522 7374 7361 1 1 1 Esi-0.8799999 :7 9055 9789 10827 12439 9235 9235 11397 9546 8686 8003 1 11360 9125 10479 9373 11299 11066 8054 9114 10477 9001 9412 8316 6811 9193 > limit Esi-0.8419999 :13 8612 10884 11201 8702 9093 9668 12434 8147 9042 9377 1 10021 9184 11160 9651 10895 9237 1 9857 10706 8507 9550 9521 6998 7814 242.1512@8.623 1 1 1 1 1 20345 1 1 1 1 1 1 1 1 1 1 14911 1 1 1 1 1 1 1 1 360.2304@9.964 22556 1 13907 20575 1 19743 1 51966 43971 1 1 24559 32136 1 1 39168 14991 23586 24188 26373 35590 1 1 29329 1 C10 H3 N O11 S2 11280 13755 9019 9057 9644 11851 13147 10566 10438 11668 1 12714 10846 12621 11365 12332 12044 17815 11355 10527 9110 10750 11577 17082 7669 > limit Esi-0.84700006 :13 7698 9147 8155 9125 8273 7155 9561 8098 8576 8638 1 8694 6661 10105 8753 7650 7403 7680 8408 9011 7598 8961 7699 6556 1 C22 H14 N4 O15 S2 6552 8509 10283 1 8898 10659 11587 11035 9965 6181 1 9841 9948 8208 6993 7223 6804 1 10923 7281 8805 9399 11404 1 7611 C27 H47 N18 O12 S 8845 7256 14472 11013 10966 11098 7829 10545 12281 12693 1 12171 9230 7412 7865 7923 9628 5788 10786 11137 8519 10248 11346 1 12796 224.1408@8.998 1 1 1 16929 1 15953 1 12690 15032 1 1 1 1 12707 10624 14941 22389 17410 10487 12773 10437 9760 1 1 1 C13 H13 Cl N4 O4 S3 1 9346 9311 9934 8323 12467 10138 9960 9313 9241 1 10641 11174 10408 1 11342 12369 11705 9881 9959 11323 12127 12714 9491 11860 610.1159@12.947 1 1 1 1 1 70920 9927 1 19672 1 1 1 1 1 1 1 10168 1 1 1 1 1 1 1 1 238.1201@5.8870006 8761 1 8970 1 1 8430 1 10603 8995 1 1 1 1 8375 1 9980 9268 6820 9200 1 1 1 1 1 1 C27 H41 N7 O4 34953 25617 26965 36291 12821 251842 25379 44845 132054 23812 1 24502 38656 21717 29562 51819 89801 38591 49814 9703 37880 47103 37768 18097 32202 535.8793@0.791 1 11018 1 1 1 7490 1 1 7487 1 1 1 1 1 7832 1 1 1 7333 1 1 1 1 1 1 274.0457@0.946 11053 1 1 1 1 7068 1 1 1 1 1 1 1 1 1 1 1 1 1 8285 1 1 6858 1 1 966.1745@0.93799996 1 9636 7677 1 1 11203 7838 10308 1 10469 1 1 7437 12339 8917 7626 1 1 12125 1 1 7793 10282 1 1 C24 H24 N8 O21 61218 59597 36450 84110 57926 123937 88980 31970 59983 46413 55678 40836 67213 91664 20456 38686 71429 69474 27296 84223 97756 63729 32324 65852 43937 > limit Esi-0.8460001 :15 10156 11461 12300 11057 11797 11716 8696 12374 10230 11535 1 10020 10718 11563 11215 11879 11347 1 11815 10903 12248 10348 10086 1 7752 580.2481@5.348 1 1 7957 9868 8468 8084 7092 8225 1 1 1 1 1 8292 7480 1 1 9084 8871 8293 10225 10448 9714 7568 9645 C5 H2 O7 S 13711 11801 12643 11510 17056 24293 13452 21935 30017 14473 1 14236 12884 14122 13136 10188 9945 21113 15267 11293 12123 11902 8426 15107 14410 C26 H13 Cl3 N2 O19 S3 7072 11872 10158 5844 9098 8245 7001 7398 1 1 1 1 8334 9752 6912 11041 10222 10581 8679 7604 1 8374 1 11040 1 C11 H12 Cl2 N3 O3 S5 21292 33649 37434 33271 24715 37286 29535 38781 40365 30586 1 33934 34623 32900 36425 30283 24003 9107 35394 26773 30150 25874 38116 9095 38102 Esi-6.39188 46784 49389 20048 54144 52523 53547 39302 43949 55000 55292 32114 50654 54327 51710 52096 54276 49636 49554 50614 46371 149104 59481 25943 48785 58148 C44 H46 N5 O14 6724 1 10944 10069 6171 6291 6640 9779 9450 7315 1 10601 9329 6568 10480 7835 1 1 8561 6838 11289 7546 11122 1 13656 Esi-0.84700006 :7 8652 10326 1 10659 9226 11572 9627 15676 11297 11480 1 11141 6150 16611 14314 8427 7086 10734 14328 8554 8662 7758 8770 9131 1 > limit Esi-0.8450001 :17 10240 12265 10124 7966 9572 9584 10554 9340 8458 10477 1 8926 9552 12019 8263 9543 10644 14198 11293 11393 8897 10295 7835 12017 1 135.0793@12.949998 14945 1 15003 12705 1 133683 22468 12752 19678 25954 1 1 9445 1 18105 6175 39835 1 10077 1 1 1 1 1 1 > limit Esi-0.8409998 :15 8137 9477 8652 7671 8578 10820 9164 7053 8583 9370 1 7439 7344 7879 8532 8489 9542 6378 7421 8499 7627 9047 6725 1 1 > limit Esi-0.8460001 :16 7511 9811 8225 9159 8871 10717 8330 10148 7206 8298 1 6365 8450 9608 9657 9825 10988 9879 7704 10184 9252 8932 1 9343 8498 C24 H12 N4 O3 11383 15460 12078 7841 15184 14338 15770 15621 15143 17678 1 1 14712 21981 19504 22301 15513 14508 20704 15711 21007 22392 21695 12773 21132 615.3374@6.652 16441 1 1 32847 1 73587 1 45698 53267 1 1 16128 14714 43377 1 25892 90849 1 52739 1 1 23662 1 1 1 > limit Esi-0.8419998 :65 10638 10097 8386 7537 7668 8476 9430 10365 7632 12624 1 9368 7554 10647 9443 10966 10194 10915 10386 10995 11409 11620 11636 8546 8529 C46 H6 Cl2 O9 S4 10536 8626 8945 9437 9159 10556 6075 9373 10232 11652 1 6883 7969 9479 7520 8226 9078 7837 9584 1 7162 9397 7321 8158 1 C14 H N2 O4 7260 1 8961 8630 1 10016 6293 8982 15105 1 1 11140 11524 9927 15566 6040 9370 7167 6789 8720 15411 6910 15055 7573 6570 175.0625@5.6710005 1 1 11090 12951 1 9720 1 1 7636 1 1 1 7734 1 1 1 1 1 1 1 9840 1 1 1 11230 C14 H2 O16 S2 10528 15306 12167 12370 6562 13767 10151 12544 15609 10743 1 8723 12817 11884 15763 10141 9763 1 15737 10549 11553 9645 13109 1 13315 228.0979@6.3590007 12036 1 14622 30447 13719 14857 1 1 1 10612 1 9486 8210 11384 1 17387 12003 15548 1 1 1 1 14637 1 1 C40 H87 N9 O3 8245 12298 10103 15011 7019 8005 9218 8209 1 7124 1 9550 8628 7627 9174 6406 7589 10606 8315 12513 1 6173 1 12146 1 C39 H2 Cl N3 O5 S4 10179 9410 8327 7048 6878 10631 7358 9596 9446 9906 1 8173 9385 9835 9182 10206 8288 21052 9993 9351 6876 8107 9415 20824 7611 > limit Esi-0.8460001 :17 6890 7783 9534 9082 7843 7910 6478 9388 9824 10498 1 9462 7183 9723 10241 7745 7931 6967 12738 7245 8921 8915 7408 1 1 C3 H4 N S2 10109 12241 12182 10665 11356 9606 12797 9494 10753 12475 1 8914 9628 10648 10114 9581 7995 11848 11384 8542 7819 9903 8749 9445 6805 1155.2521@0.8479998 1 6874 9320 12303 1 6855 1 12297 8289 1 1 8866 10407 6294 9524 1 1 1 1 6640 9707 8314 12262 1 13834 214.0453@1.2700001 1 1 1 1 10231 12248 10791 9686 1 1 1 1 11257 1 1 1 11407 1 12378 10550 11323 10879 1 8906 11147 C28 H57 N12 O15 S 5585 7216 7619 9822 7423 6881 6423 5684 7372 8186 1 5561 7321 7217 1 1 6561 1 6894 6733 6839 8293 6587 1 5606 C20 H27 O2 S 10383 7090 8631 10096 8017 10773 7659 9308 9213 8858 9131 8204 1 10490 8285 8283 10350 11648 13252 7746 8729 8942 8862 9424 9512 1313.156@0.9440001 1 7354 1 1 1 7060 6602 6794 1 6718 1 1 1 5937 1 1 1 1 10308 6366 1 1 1 1 1 C10 H12 N4 Esi-13.628 14180 7596 10194 41160 14017 24406 25597 23496 1 26594 1 26118 19781 12303 26491 37174 38298 18960 19359 16476 19517 19400 21054 11574 15141 480.3309@13.634999 1 1 1 1 1 16573 1 1 11597 1 1 1 1 1 1 1 11042 1 1 1 1 1 1 1 1 C46 H9 N3 O11 9478 8014 1 1 6893 9201 8625 8962 9674 7798 1 1 9474 10887 7594 9080 7693 1 12084 9329 9535 8042 8996 1 11137 > limit Esi-0.84700006 :14 10165 10503 11299 10786 12083 11395 10193 10413 10007 10367 1 8607 10647 10391 11850 10946 9968 1 9707 10039 11051 10799 9471 1 10882 253.0537@1.196 1 1 8610 1 1 11809 1 1 1 1 1 1 1 9553 1 1 6024 7124 1 1 6706 9558 10629 7097 9556 > limit Esi-0.8439999 :17 10988 8019 6772 7806 7539 8493 7812 7183 7347 8669 1 6246 9211 8857 9098 8515 6909 1 8483 8557 9011 9218 6311 7567 8369 214.1203@7.288 10645 1 1 24243 1 15932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.84300023 :6 9039 10710 11839 12354 9935 10527 10218 10476 10861 9010 1 11601 11476 9459 11725 8833 11337 1 9393 9917 11785 12079 11130 1 11100 483.9799@0.86600006 1 6868 1 1 1 10899 1 7545 9829 12037 1 1 1 8879 1 1 1 1 1 1 1 1 11129 1 1 > limit Esi-0.8419998 :66 11229 11917 14400 11492 12802 11207 10689 10979 10901 10418 1 11340 11608 11677 10649 11759 11068 6833 12581 11285 12227 10879 11577 6435 10110 C4 H6 O3 Esi-0.9290002 40967 53434 48774 45826 64198 53862 61711 46459 51340 39158 1 46280 47401 54509 56618 104440 19573 56546 42543 46262 66172 35705 32969 49383 51208 C14 H2 O17 S 15506 17076 12661 11584 1 13404 11819 16505 14585 16695 1 1 12981 14102 13378 1 11871 1 8471 1 1 11661 11786 1 11630 C55 H47 Cl2 N8 O4 S 10818 11418 11838 12959 10422 10595 11891 10988 8751 11866 1 10916 9762 11673 9517 10156 10589 8901 11639 11419 9416 9283 8435 8877 10493 C49 H50 N12 O 9154 10094 12256 12903 8812 8680 13047 1 1 1 1 9537 10327 8856 7616 8454 7722 7686 1 8546 1 8464 7716 5993 6774 334.2137@8.912001 47386 1 1 40610 1 19702 1 51675 105687 1 1 1 84759 69755 1 72218 1 1 71138 14348 104614 1 1 33837 1 841.6871@0.8730001 8505 1 11626 9837 8527 13804 11691 1 1 1 1 6033 8852 9217 9649 8325 7352 1 8987 11969 1 10728 1 1 8190 C18 H9 Cl3 N6 O7 S2 27943 1547522 31990 1192281 28464 29761 34822 29732 29889 1494552 1 1141845 1146239 32393 32215 1479910 27867 29739 31316 32216 1127286 29515 982898 25167 24490 Esi-0.8809999 8075 11957 10885 9422 9201 8969 8531 8403 7257 9143 1 10566 8066 9563 10247 8859 9198 1 8624 11040 7533 9264 7621 1 6706 > limit Esi-0.8439999 :18 9008 8423 12847 12429 9168 9757 9925 10077 9299 10458 1 8361 11293 9999 10507 11077 10924 9270 10018 9050 11653 9894 14048 9159 12987 84.032@13.630998 19589 18296 21738 1 38655 57578 1 35305 43996 1 1 25626 161725 1 1 1 1 24741 1 8967 11258 36290 20614 18784 33174 722.1091@11.625 1 1 1 1 1 13488 1 14486 16316 1 1 1 1 1 1 1 9268 14070 1 1 1 1 1 1 1 > limit Esi-0.846 :3 6452 7311 7021 7468 6525 8094 6712 7343 7731 7538 1 7394 7266 1 8087 7911 8748 1 7155 7366 8049 7104 7658 1 1 C8 H6 N4 O9 S 8149 9649 8609 10028 10436 11264 8789 10027 12211 11719 9161 8750 10840 1 1 6427 7976 7962 9227 8532 7186 8254 9643 9779 9287 296.2342@11.015 12970 1 1 1 1 20999 1 12511 1 1 1 1 1 1 1 1 1 1 12992 1 1 1 1 1 1 Esi-0.87000006 :3 6106 7719 10029 9649 9028 10356 7546 11047 7500 8126 1 10643 10129 7360 10217 7630 7571 1 9605 7869 8028 8667 9978 1 7247 > limit Esi-0.842 :4 7977 10159 6484 7934 8696 10050 8104 1 1 8312 1 1 6605 9100 7218 8140 10712 8832 6635 8223 6101 8189 1 7451 1 Esi-0.849 :1 1 7844 10535 8403 7425 9147 7157 12173 11675 8312 1 11053 9595 8054 9942 7718 7209 1 8902 1 9167 6734 12047 1 13499 C22 H40 N7 O3 Esi-13.627999 19503 16143 16630 64945 15453 56523 61022 55973 70048 53108 1 48299 27293 25917 48533 63117 112149 54344 53460 43083 43844 62512 61315 23337 51188 > limit Esi-0.8419999 :14 9610 11598 10357 11236 10429 9639 9793 9691 9787 10266 1 9871 9192 9317 11353 11862 9540 6242 9918 10801 11052 11627 10373 1 9281 192.0256@1.0130002 14744 1 18517 1 10882 34076 35426 39813 1 36524 1 20655 32077 27812 28959 39822 1 35835 13351 1 23273 1 43045 32950 24623 961.6116@0.89200014 11059 10537 9871 12879 9548 11281 11338 1 1 7793 1 1 9405 8088 10305 1 9606 1 9934 11853 1 8386 8338 9452 1 C17 H22 N15 O4 Esi-11.287999 75170 1 30726 36232 1 54637 1 44106 22750 1 1 18794 46273 15611 17265 23713 30862 14393 33173 17807 1 18901 1 24843 1 C24 H15 N16 O10 36676 32486 36782 16016 25031 44731 25432 28397 42959 34367 46504 19844 24564 25454 14189 24314 49163 49562 55743 34382 23877 37472 13046 22678 53065 707.5976@0.8690002 1 6704 6378 6410 1 7337 1 9645 6393 1 1 6217 6165 6296 7912 1 1 6432 7350 1 1 1 6711 7178 6329 814.0834@12.163 1 1 30982 1 1 28603 14407 1 13724 35080 26996 20641 1 1 1 1 22587 37754 1 11712 16356 14061 27856 32794 1 789.693@0.86699986 1 11055 11487 8656 7185 9401 6387 10275 10587 1 1 9439 9787 7292 8469 7668 6289 1 11542 1 7193 6906 8708 1 8458 1171.7257@0.8509999 1 7277 8876 7672 6424 7535 5779 6042 10483 6577 1 6718 7727 1 1 1 5667 1 1 6582 8968 1 11636 1 11777 294.2185@11.091:2 1 10438 1 1 1 57729 1 1 1 1 1 1 1 1 16786 26357 19356 1 1 31933 1 12832 1 1 13291 Esi-0.87600005 :2 8856 8798 11707 11373 7949 8696 10534 10740 8119 9071 1 10255 7250 7703 8578 9049 9059 1 8763 8702 7120 7956 8166 1 7689 C4 H4 Cl2 N5 O 363871 337067 383381 21804 383801 358940 386515 21348 365077 399373 124437 404316 359234 402998 396799 433057 456814 3198330 445330 498328 453239 432818 471814 4216197 523296 > limit Esi-0.941 :2 8559 8803 10848 8123 1 8312 8640 11761 1 8322 1 6429 7311 6861 10728 7875 6990 1 13817 11377 1 8775 12173 1 12879 > limit Esi-0.84199995 :21 10114 11762 8790 12872 10290 10061 11570 11422 10637 9579 1 11517 10757 11765 12103 12227 8795 1 12346 10959 11544 11352 12216 1 11922 368.22@9.092 40888 1 1 15969 1 18833 1 22399 1 1 1 1 1 1 1 14763 1 1 12687 1 1 1 1 16051 1 > limit Esi-0.8450001 :18 9653 10306 10935 10336 10378 13029 11001 9932 8929 8929 1 9520 10283 12065 13168 12850 10401 1 9576 10342 12907 9130 10995 1 8566 C17 H12 Cl N2 O2 S5 36882 13660 29814 40400 76169 41614 22045 30701 38141 21457 1 16145 25655 71751 23105 26296 40288 50387 20831 52001 24781 143266 46494 1 49275 230.0015@6.343 1 1 1 91029 86192 82783 1 89138 1 1 1 84870 82297 82418 82437 1 1 80106 1 83553 1 84689 87282 78836 80569 C47 H85 N8 O 7560 9349 15653 11864 9418 8066 14138 14049 11912 9812 1 11542 11732 11182 11639 11589 1 1 12170 8544 9607 9979 11488 1 10085 812.1411@10.062001 1 1 1 1 1 9046 1 8241 1 1 1 1 1 1 1 7584 11687 11698 7698 1 1 1 1 6884 1 1039.7665@0.85000014 1 1 18749 23151 6130 7239 9375 20930 23306 12207 1 19676 23038 1 16749 1 1 1 14552 6577 14124 8243 23307 1 18104 1178.4181@0.8450002 9408 1 1 1 1 9028 8177 8749 7149 8711 1 1 7343 8757 1 9184 9117 9308 1 9727 7280 8833 1 12548 1 C8 H14 N2 O6 Esi-0.9290002 38630 32773 28745 28726 31775 52363 31022 37667 48436 43775 1 25083 36001 40129 23530 34610 39520 9120 52102 36542 35670 43246 33867 12317 35482 C3 H5 N2 O4 Esi-0.9500001 30147 33398 35584 8299 28796 26436 32556 22202 14808 35172 1 26083 24239 33320 40690 23717 35041 39139 39868 36248 14598 23153 33585 45853 19515 Esi-0.875 :10 10342 10085 11065 11060 9890 9493 8732 11264 9079 8889 1 11111 10075 10257 10243 8366 9149 1 8488 9931 8433 9443 9169 1 7531 246.0557@1.225 1 1 1 1 1 5841 1 1 1 1 1 1 1 1 8142 1 1 1 1 1 1 1 1 1 1 C21 H18 N3 O16 22816 25302 23329 32606 1 25062 30998 24171 21962 35480 1 1 24652 28240 29546 33902 22532 19856 24087 32743 32827 30592 30348 35032 28404 695.6092@0.8649999 1 7544 8163 1 1 8007 1 7410 8078 7696 1 7058 1 1 7518 1 1 1 1 1 1 1 1 1 1 1353.2546@0.842 7186 8125 1 1 7053 7024 6623 1 1 6608 1 1 1 1 1 7346 7995 11009 7549 6448 1 1 1 11600 1 > limit Esi-0.844 :1 5835 8598 7145 9108 7755 6208 6291 7984 6375 7879 1 7076 7621 8877 6190 6612 6575 1 7550 6729 6792 7513 8264 1 1 146.0579@1.9142499 1 41374 1 40140 1 44939 44304 36089 1 1 1 37182 45701 38894 46188 41896 47392 1 40058 36994 47213 44462 1 1 45539 1013.3238@0.8430001 9303 9624 1 7049 6565 6680 7755 1 1 8818 1 1 1 8363 1 7022 9271 12459 6677 6737 1 1 1 13756 1 723.6048@13.627 1 1 1 1 1 11566 1 1 9123 1 1 1 1 1 1 1 7964 1 1 1 1 1 1 1 1 > limit Esi-0.847 :2 7822 1 13216 8983 11476 12020 10982 10452 11851 12351 1 12358 10965 12324 10404 10639 10912 1 11955 1 11568 11475 12644 1 7784 > limit Esi-0.8460001 :18 9041 9247 9525 8532 9026 10584 8141 9222 9000 10536 1 8765 9136 9105 10605 8295 8858 8338 8385 9056 9139 7501 8304 1 7525 130.0118@0.794 1 12877 1 8910 1 8951 1 1 1 11634 1 1 1 1 8334 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8409998 :16 9598 10663 10013 10835 9858 8966 10536 9136 10580 9995 1 9045 10921 9588 10652 11558 10365 1 9566 8278 10465 10751 10144 1 1 C3 H2 N3 O3 Esi-1.6209998 :2 23657 23277 26957 26216 28001 31972 17778 31788 20166 29776 1 21141 28873 36470 34356 26078 25193 31452 15955 14346 31561 30892 20382 15808 43167 166.0629@5.501 1 43178 8335 19702 1 32620 7603 7995 18534 1 1 1 1 26393 1 16568 1 23227 8349 10390 15018 9579 12421 1 14544 C37 H63 N9 O2 S 6407 7474 10175 8900 8277 9391 8952 8147 6529 8845 1 8667 8273 8639 8764 8648 8141 5780 7948 7395 7062 5910 7055 1 6236 903.6167@0.86700004 1 8580 7801 7260 1 7230 1 7035 1 1 1 1 1 6006 1 7457 6508 1 1 1 1 1 1 1 1 C9 H18 O3 Esi-7.1845994 60666 208330 1 65737 1 91982 216842 1 23948 1 163644 98399 1 1 1 1 31984 124056 225087 219426 1 216004 229741 36986 1 402.2009@10.493 9556 1 1 8605 1 10142 1 1 1 1 1 1 1 1 1 1 10422 1 1 1 1 1 1 1 1 1291.2137@0.842 1 6055 7440 6611 7141 8330 7473 1 1 8534 1 1 6072 7230 6104 7429 5940 1 6282 1 6726 1 1 1 1 322.012@12.937 1 1 1 1 1 50784 1 1 13553 1 1 1 1 1 1 1 10215 1 1 1 1 1 1 1 1 > limit Esi-0.8439999 :19 14865 12983 11699 11990 12905 13566 12361 15636 12051 14654 1 11326 11195 13637 14589 17027 13788 14347 16037 17182 13015 13534 15944 12436 1 C10 H2 N2 O12 S2 9497 11431 10559 10283 9391 9002 8675 10766 10265 9463 1 9359 9775 8531 8764 9448 8387 1 8419 9668 9279 9088 9729 1 10425 1035.2961@0.849 7037 1 1 6975 1 6965 1 1 1 7240 1 1 6193 6535 1 1 6929 11518 1 7725 1 1 6298 11514 1 C12 H2 O3 S3 Esi-0.88800025 350267 212183 209262 334951 224257 216447 231956 176058 67128 202819 1 232292 151859 242753 253049 139814 207069 360932 231046 387758 101734 207131 213297 535502 172243 C24 H54 Cl3 N18 O10 1 9893 14676 13499 13382 11169 11169 14946 13948 10138 1 14878 12661 10898 14654 12099 9135 1 12084 9709 13923 11491 14334 1 16308 328.1015@3.2599998 10748 1 1 6800 1 10326 1 6381 7163 1 1 1 1 1 1 9446 1 1 7553 9901 1 1 7300 1 7742 Esi-0.866 :7 7381 8383 8735 9135 7816 8373 9591 11572 11611 13189 1 7731 6772 8476 10809 7526 6704 1 9610 8976 6924 7746 10249 1 9301 > limit Esi-0.8419998 :67 9827 11470 8818 8876 9716 9915 7605 8343 7282 10079 1 8349 8999 9012 10557 10404 9195 6946 9994 9484 8530 10985 9928 6246 7585 537.8051@0.86499983 1 1 9713 9871 6361 8596 1 10976 6815 1 1 7542 8648 1 1 7639 1 1 9370 7755 6435 7349 11256 1 8788 713.9455@0.858 1 1 1 1 1 7547 1 7894 7961 8099 1 1 1 6318 1 1 1 1 1 1 1 1 7829 1 1 539.3217@10.913001 1 1 177157 1 1 659976 1 1 186020 31379 1 41614 87239 1 1 1 138831 1 1 1 96101 142115 52757 1 1 C11 H20 N5 O5 S 11323 9403 9278 9849 8870 13361 10211 12877 8529 7727 1 11352 9483 8745 12753 7654 8662 9527 8690 10063 9336 12175 11005 11939 11586 Esi-0.8439999 :5 13310 15192 12757 15653 16502 15307 15097 14770 15577 15304 1 14692 12887 15550 16021 13311 14105 8997 13425 15891 13175 14641 12232 6823 10745 Esi-0.9379999 6896 8308 7222 7806 6561 6258 8806 6495 1 7697 1 1 1 8880 9888 7000 6533 8704 10783 10590 1 7764 10721 11429 7834 C5 H Cl N2 O 18474 12122 21346 22896 23141 16808 14805 23637 7488 17267 1 24772 21966 17268 21253 17813 14414 1 18440 13873 11016 20460 23594 1 26408 943.6137@0.901 1 11482 10287 11140 1 9640 10005 9960 1 10491 1 1 1 1 1 1 1 1 8564 1 1 1 9492 9381 1 290.0755@1.631 1 1 1 1 1 7872 9078 1 11854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 956.9781@2.5649335 1 1 1 1 1 171501 8637 276433 68300 36244 75482 1 1 105897 1 1 40613 17949 17717 9194 6969 199887 156143 228288 1 > limit Esi-0.8419998 :68 17288 17939 15420 15682 14794 16125 17301 15587 16376 18088 1 12236 15299 18490 16449 17961 16419 18212 17753 16152 13889 18024 14714 17576 16839 C7 H3 N4 S Esi-1.2859998 :1 1 52477 51690 47827 38408 38482 22472 51498 42255 43152 1 42939 55743 50449 58546 60966 79006 41311 71264 57760 75400 87119 91428 43096 70312 362.2449@9.8220005:2 164143 1 62608 45729 1 96645 1 77706 1 1 1 32338 129368 1 29440 50689 37369 1 69000 45836 34208 32819 1 75154 1 C42 H41 N21 1 7268 11745 11287 7483 8297 8463 11748 8997 7067 1 11532 10215 7163 13109 7061 9390 1 8980 8826 8444 9048 9357 1 13458 > limit Esi-0.846 :4 10773 11579 10779 1 10412 10485 11342 11396 9213 10360 1 9798 10730 12005 9887 9906 10687 1 10694 11393 8897 11719 10682 1 8658 657.8905@13.627 1 1 1 1 1 12162 1 1 10051 1 1 1 1 1 1 5280 1 1 1 1 1 1 1 1 1 C33 H71 N6 O2 7679 10956 9853 10963 9626 8113 8536 11382 8474 9427 1 11183 8023 9276 9633 9103 9478 6990 9330 9409 7155 8470 6725 6923 7657 235.0515@0.9229999 10630 1 1 7086 1 6929 1 6913 1 1 1 1 1 1 1 1 1 7396 1 1 1 1 1 7113 1 C18 H4 O16 Esi-0.8900001 1 35210 21182 1 17446 38221 25917 36784 38790 47592 1 1 18807 35987 21503 20840 9483 1 32395 1 14975 17729 38390 1 11606 1067.2609@0.85499984 1 1 8039 10679 7967 6896 1 7482 8978 6448 1 7673 1 9059 9489 7458 7519 1 8699 6889 7592 7871 8592 1 10124 > limit Esi-0.846 :5 6702 10006 8033 9806 8549 8256 9953 8452 8035 9625 1 8911 6704 9934 7515 7812 9801 1 7733 9390 7786 8009 6505 1 1 Esi-0.7910001 :3 1 9984 9558 8180 8797 11355 7478 10537 10971 9267 1 1 9869 8209 6974 10246 1 1 8469 6978 8515 1 8106 1 8681 C50 H81 N8 1 7939 11083 9231 1 7172 1 1 9026 5931 1 9628 6137 6259 6957 6129 1 5632 7999 1 1 8038 7824 1 7828 423.8936@0.78800005 1 9227 6228 1 1 7633 6380 6646 8726 6345 1 1 6563 7777 6663 6694 1 1 8090 1 1 1 7158 1 6430 > limit Esi-0.84700006 :15 6951 7977 6657 7945 7286 6738 9799 10005 9629 8148 1 9702 6963 10946 10974 10338 8514 1 9737 8447 6864 8852 8647 10767 7872 Esi-0.875 :11 6416 7854 8999 10025 7471 8008 10323 8525 7256 9071 1 8850 8553 8055 8042 7293 9059 1 9148 8475 6820 6488 6389 1 6631 Esi-1.0219998 :1 9217 47126 21880 21190 37377 17905 39420 23074 43585 36260 1 14598 15923 13987 17007 20587 12600 15336 17959 14217 16190 15393 39014 11610 14095 1286.248@0.8460001 1 6677 7568 1 1 6670 7242 1 1 8018 1 1 1 7059 1 7122 7555 6850 1 7259 1 1 1 6214 1 Esi-0.7830001 7999 11683 8929 10407 10523 8589 8381 10007 9944 8164 1 14891 10009 10126 9526 10140 6779 8504 15878 9819 10800 9566 10035 1 14062 C19 H28 N10 O15 Esi-11.2890005 :1 64907 1 33575 36516 1 45205 1 42477 23616 1 1 20187 38433 13317 18014 24396 30185 15107 35490 18646 1 20477 1 26102 1 Esi-0.8500002 :10 8279 8553 9902 11306 8940 9226 9049 9653 11805 8137 1 8983 7967 9003 8130 7874 8141 1 9896 10539 8716 7473 9274 1 8291 C11 H5 Cl N5 O5 S2 31464 2408367 2140240 30261 25332 30852 29049 28291 27668 2340177 23318 2110128 31261 29518 2057288 2297951 2316885 29679 30695 24997 31715 2164556 28628 28775 29849 > limit Esi-0.84799975 :9 8521 7386 10267 12501 9777 8901 7479 10712 9121 9929 1 7436 10344 7977 9228 9416 8681 1 10060 9941 9278 7872 11520 1 10082 307.9259@12.946001 1 1 46902 1 1 6453 1 1 10132 25075 1 1 1 1 1 1 13421 1 1 1 1 1 1 1 1 C34 H N2 O27 S3 5546 5905 10878 10995 9325 8981 8144 9780 9588 9308 1 9319 9589 9093 7815 8133 1 1 9269 8552 8425 8742 9707 1 11034 C31 H65 N9 O8 7068 6860 8609 9479 8877 8874 8626 11842 6660 6380 1 9392 9832 9180 6934 9272 8558 7064 7925 10113 7980 8705 8390 6192 6597 C34 H6 N4 O19 1 7117 7186 1 6895 7752 8821 7491 9168 1 1 6607 7774 6930 1 6338 6822 1 8249 6331 7375 8506 9247 1 1 C54 H43 N9 S2 7008 7511 9715 9349 7030 7538 7110 8360 7969 6581 1 8305 8502 7144 7581 7157 7847 1 8598 7912 6492 7642 6814 1 7707 > limit Esi-0.8450001 :19 9586 8804 11837 10555 10957 9424 7882 10737 11242 9954 1 12112 11455 10173 12802 9898 7720 1 9457 9737 11250 10002 10851 1 14351 C12 H2 Cl2 O2 8674 11669 11588 10334 1 10501 9631 12012 11672 9275 1 9116 10660 9860 9809 10323 9083 1 10142 1 8834 1 11677 1 10777 C45 H85 N7 O6 8532 12257 12557 12052 8592 9146 9370 9833 7787 8687 1 9241 10208 9389 9340 6810 8378 1 11319 9173 6678 7941 8279 1 6872 > limit Esi-0.84500015 6432 1 10292 9438 7518 9476 6565 9509 8779 7601 1 9250 9310 7654 8282 7955 7767 1 7452 6736 10057 9051 9918 1 10102 268.2034@11.307 1 1 10263 1 1 11176 1 1 8453 1 1 1 1 1 1 1 8388 1 1 1 1 1 1 1 1 C26 H26 N5 O22 54614 35164 40861 52073 30015 88382 38452 48048 62432 32176 22144 42630 47991 34894 27090 43457 68075 47667 45518 40623 28792 42909 35947 37261 36198 477.7634@0.86999995 1 5970 1 6084 1 5443 1 1 1 5741 1 1 1 1 1 1 1 8166 1 1 1 1 1 9380 1 507.1165@0.941 9555 1 8768 1 8450 6381 7855 1 1 1 1 7187 1 1 7408 11915 1 1 8935 8022 11222 10225 7640 1 7140 C38 H57 N9 O S4 8316 9714 8457 8255 9746 8426 9664 8988 7963 8270 1 6650 7728 8873 9675 8279 8066 1 7966 8587 8358 7306 6668 1 6243 C17 H22 O16 Esi-10.580997 32905 7445 8973 8869 8981 22358 1 24965 9753 45509 8073 8161 1 25808 46192 8449 65582 9930 7907 10451 8164 7706 20735 9362 62438 > limit Esi-0.84799975 :10 8184 10356 11777 13529 9680 9586 9057 10103 9512 9711 1 8940 8333 7092 11451 10052 9655 1 9287 10628 9875 8720 11118 1 9127 > limit Esi-0.84700006 :16 9301 8455 9132 11519 9127 8805 9083 10985 10432 8389 1 12690 11170 11075 12946 11486 9225 1 10961 7755 12354 9010 13091 1 13220 317.9548@5.705 1 45428 1 1 1 20530 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-0.7910001 :4 24432 12120 6332 6728 6735 10658 6373 8492 18702 6255 1 1 7734 8603 9499 15935 8907 1 11105 5953 7643 1 8315 1 14337 > limit Esi-0.846 :6 7101 7442 9553 7664 8171 8829 8666 7208 8731 9374 1 10771 9079 7044 8737 8611 8667 1 8837 6853 9285 8265 9192 1 1 629.8786@0.816 1 8516 1 1 1 6685 1 1 7615 1 1 1 1 6332 1 1 1 1 8000 1 1 1 1 1 1 C54 H52 Cl N3 O2 S 6505 7549 8386 9413 8058 9652 8356 10140 11460 8397 1 10954 7791 7564 12015 6931 6404 1 11399 8957 9314 7468 8501 1 8037 192.0626@0.9849999 144459 98620 12265 1 1 59338 51393 1 10495 1 1 11601 10035 1 1 37263 1 1 28585 17698 91278 112294 32659 6640 1 C22 H55 N21 O6 8216 7635 11417 11054 7495 7915 8268 11247 8583 7461 1 11528 9438 9494 10471 8269 6885 1 8505 10006 7544 9003 10342 1 9524 C10 H7 N S 7886 17111 13109 1 26506 20153 21961 8952 13017 11387 1 10598 8774 26026 11384 10824 11175 19812 19830 14001 10268 12212 11782 14434 10442 C59 H113 N O S 1 8510 1 5909 8331 9535 6169 1 6435 7310 1 1 1 10542 6701 7590 9287 11135 1 6802 1 5893 1 8974 1 Esi-0.8450001 :4 15717 18960 19680 19386 19130 19491 19697 22571 23335 17195 1 21733 19419 21017 20226 20901 15836 8847 19800 17911 20817 19367 19157 1 20642 Esi-0.875 :12 1 9225 9991 11097 8391 8854 9095 11129 9045 6908 1 8325 8858 8129 9698 9900 8335 8686 8103 8449 8680 8299 7812 1 7732 C17 H7 N6 O13 9282 7502 7800 7859 8143 8735 8705 8076 8806 1 6726 7201 7606 9808 9305 9026 9342 9193 9226 10077 10413 10198 7927 8400 8696 C16 H24 N12 O3 104348 1 41676 45722 1 71632 1 52882 26617 1 1 21203 52859 17425 21012 30947 32613 14323 39002 20525 1 21095 1 28919 1 C45 H33 N23 O5 9871 9262 1 10216 7694 9827 7602 8847 1 9324 1 7340 7674 8236 8589 8594 10779 10942 7438 10032 7713 7404 6903 8315 1 C10 H8 Cl2 N2 17040 46993 15707 40032 29621 25690 22029 32957 33936 29826 1 20006 30020 19943 79476 9315 59109 30401 27943 35784 19220 49430 23410 28302 48647 C24 H26 N7 O3 Esi-10.186002 19126 15273 20137 14663 16144 19100 14664 19125 21829 19013 1 14882 11054 14682 17601 16253 23241 7893 20283 8405 8557 15426 9201 17550 16778 C14 H21 N O19 22681 25109 19678 29177 30908 20178 18840 22175 22888 27514 28887 27686 26171 33068 33860 27882 32179 33826 34276 25022 35268 29509 32441 24355 33252 375.913@13.375 1 1 1 13657 1 14744 10838 1 21596 1 1 1 1 1 11447 1 17325 1 1 1 1 1 1 1 1 Esi-0.8439999 :6 6730 7066 7410 9020 8250 7842 7717 8135 7448 6435 1 6485 6335 8222 7205 8290 6383 1 7464 7011 7067 6766 6547 1 5927 C32 H32 N4 O26 Esi-11.891003 28830 1 42672 14699 1 22581 1 15579 15671 22097 1 26692 1 21155 1 12873 15332 14155 11700 12039 14555 15333 12883 1 37858 C10 H19 Cl2 N3 O7 S5 178063 180409 140505 142428 165646 163372 177276 143185 130068 174968 1 140916 142456 171372 146071 170351 174110 282082 154749 173015 137434 153733 118906 286725 109893 Esi-0.94300014 20913 44709 20298 24735 36481 41731 35406 17859 44584 32508 1 13554 20239 34012 24450 17511 15964 11801 16590 16567 13571 17028 35922 23754 13973 222.1248@9.154 1 1 1 8671 1 12489 1 7055 9425 1 1 1 1 8366 1 7030 10258 8541 1 1 1 1 1 1 1 > limit Esi-0.8409998 :17 8838 9581 7072 8216 9622 10036 8481 1 6938 9697 1 6007 7405 8037 8327 9214 9761 9119 6781 8755 7038 7772 6053 9062 1 C24 H6 Cl3 N2 O18 8088 10153 9781 9386 9984 10367 6502 8558 11054 10702 1 8559 9121 9237 10191 9208 9075 1 9265 7882 9007 8878 8217 1 8332 Esi-0.8900001 9750 1 12866 10726 1 11988 15434 13421 1 18493 1 7216 6875 12936 11193 9803 9217 6846 12527 9950 1 7304 1 10248 6838 C12 H12 N5 O11 S Esi-0.91699994 19056 25993 20089 14827 19159 29904 24106 24610 33740 33549 1 1 26466 29827 24519 27811 18235 1 24191 14903 24761 22135 23759 1 20807 609.856@0.88299996 1 10521 1 1 1 9882 1 12733 13993 13590 1 1 1 9351 8644 1 1 1 9830 1 1 1 11020 1 1 296.1616@8.889 1 1 9117 9696 1 9577 1 1 1 9600 1 1 1 1 1 1 8681 11914 1 1 1 1 1 1 1 Esi-0.87000006 :4 6835 8386 9132 9284 7720 8710 8465 8894 6668 10094 1 8411 8803 9112 6563 6872 7203 1 7992 6998 7081 7108 8549 1 6450 1081.1123@0.84599996 7717 8575 8240 1 7807 8775 8499 8590 1 9568 1 1 1 6985 1 9866 9632 10754 1 6802 6406 6743 1 8966 1 1144.4417@0.84599996 7507 6952 6051 1 7257 6892 6539 1 1 9539 1 1 1 5747 1 7460 7714 10443 7999 1 7324 7696 7004 12917 1 1054.3138@0.842 6403 6441 7366 7275 6708 5872 7630 1 1 7513 1 6968 1 8351 1 7148 8516 1 6468 8353 1 7695 1 1 1 Esi-0.8710001 :18 9362 11242 16033 14470 14843 16733 10964 15808 12443 11332 1 8673 10164 17754 7829 13415 10769 1 15801 9254 1 8919 1 5730 9111 Esi-0.7889998 :2 6568 10931 10642 7483 9164 9560 10987 8223 10490 10589 1 7269 9811 10419 9623 7090 7498 1 1 1 1 7717 8599 1 8343 > limit Esi-0.84300023 :7 8095 9643 8515 7242 9890 9409 9902 8357 7604 10986 1 7386 7493 12163 7499 9068 10648 5969 10825 9224 1 7870 8701 1 1 362.2061@11.615 13039 1 1 6825 1 7747 1 1 1 1 1 1 7808 1 1 1 7672 1 1 1 1 1 1 1 1 880.128@10.064 1 1 1 1 1 7797 1 7040 1 1 1 1 1 1 1 1 10688 10835 7073 1 1 1 1 7042 1 Esi-0.8500002 :11 8575 9879 8913 11110 9727 9787 11181 8532 10153 9631 1 8308 9954 10233 9558 9464 9047 1 8458 9266 9187 8625 8148 1 1 368.2195@8.427001 1 1 11234 1 1 19926 1 15368 1 1 1 1 1 1 1 1 16290 15530 14644 1 1 15199 1 18844 1 161.961@1.2600001 1 9022 9300 9605 23574 12549 14730 1 1 23456 1 10616 20835 8482 21003 1 1 1 9795 11188 1 21517 1 16359 23519 366.2045@8.543 17181 1 9849 1 1 16553 1 9606 1 1 1 1 1 11253 1 11748 13537 10506 17578 1 1 1 1 1 1 C36 H55 N9 O13 S2 Esi-0.846 9548 11869 12388 11725 10700 9969 11440 11799 11317 10817 1 11091 10288 11442 11193 11400 12240 1 10045 10621 10184 9870 9179 1 1 Esi-13.358001 :1 11841 1 14861 15189 1 22126 18850 13570 26896 1 1 10493 13928 1 13356 14081 20566 15853 1 1 1 1 15452 1 1 C31 H49 O10 Esi-9.11 :1 91575 8812 83131 213749 1 177712 1 264397 176107 15758 1 87966 73424 148995 43169 85082 234555 138762 173087 40139 26639 96095 36496 60300 25122 > limit Esi-0.8450001 :20 6756 11020 9020 8216 9883 11552 8381 8345 8963 8660 1 8407 8354 8615 11291 8256 7392 1 10088 6824 9758 8916 11043 1 6988 > limit Esi-0.846 :7 6891 8584 8970 10148 7549 8181 1 6320 7994 7239 1 7589 9313 7147 8089 9962 8447 1 9579 9300 9323 7939 7597 1 8140 551.8699@0.85854536 1 9961 8176 1 1 13210 8883 19879 6223 1 1 9618 1 12048 7991 1 1 1 7647 1 1 1 19540 1 1 C6 H Cl3 O3 S3 1 6269 10075 9120 7746 8504 1 9630 9628 6067 1 8512 10384 7145 7434 6388 5617 1 5551 5476 8383 1 11021 1 10859 236.1411@8.920999 8056 1 1 1 7788 13817 7770 1 7630 1 1 7621 1 8320 9127 1 8992 9035 9015 7728 8612 1 8105 8883 8285 843.6669@0.8739999 1 10905 9423 1 8524 13242 10679 10309 11163 11604 1 7458 7195 8812 1 8049 1 1 7634 1 1 1 11006 1 1 C51 H83 N2 O4 S Esi-13.985 1 1 1 15116 18707 15270 87079 8628 21740 1 1 1 9330 73934 10195 8416 17701 12944 49899 16186 83198 12903 13537 7132 6864 1217.2701@0.842 1 6597 1 1 1 6813 6315 1 1 7755 1 1 1 6524 1 1 6788 13409 1 1 1 1 1 11879 1 333.0751@1.1949999 1 6071 7880 1 1 7239 6171 8157 1 1 1 1 6663 6784 1 6619 1 1 6225 1 1 7252 6590 1 8204 C33 H33 N29 O4 10040 9760 8881 9671 8306 9907 8577 9219 7135 10220 1 8054 1 9798 9104 9206 9246 10815 7008 10004 1 8156 1 9809 1 > limit Esi-0.845 :6 9604 10815 9502 9040 8822 8833 7530 9051 6294 9091 1 7365 7990 8561 8377 7442 9830 9630 7421 8936 8648 7128 8741 9374 9223 944.0593@12.740999 1 1 1 23153 1 24112 16048 13218 14190 1 1 1 1 1 1 1 21790 1 17034 14432 1 1 1 1 1 > limit Esi-0.8400001 :5 10541 10730 10354 7831 6945 7437 8005 7890 1 9035 1 6409 7569 7686 6310 9865 8518 17303 6216 7930 7477 6684 7558 15660 1 485.9262@0.789 1 10809 1 1 1 9452 6756 7816 9033 7146 1 1 8047 6657 7204 1 1 1 9965 1 1 1 6597 1 1 C17 H16 N7 O11 209751 158683 202063 1 135213 394708 166778 7561 150965 165867 1 1 168994 340199 157115 55950 121653 90929 203739 173923 240349 124832 173746 129014 199806 533.932@12.951002 1 1 8089 1 1 155567 33300 1 83109 18283 1 1 1 1 1 29509 67516 1 1 1 1 1 1 1 1 C35 H5 N7 O2 8951 8007 13751 12537 9772 7468 11497 9381 12525 8607 1 10835 9351 8810 15454 14793 1 1 1 9134 13865 8575 10896 1 9408 > limit Esi-0.8520002 10499 10722 9426 7258 1 8492 8677 7615 1 8151 1 7859 9338 8218 1 8695 9674 7988 9284 11132 1 9225 8480 1 1 C57 H57 N5 O S5 6680 9515 8429 6414 6726 8066 7360 1 6522 8724 1 6827 6915 8079 7279 8070 7056 1 7029 7092 7708 7291 1 1 1 214.0256@0.908 10869 1 10862 1 1 7249 1 1 1 1 1 1 1 1 1 7192 1 1 9858 6728 8673 7830 1 1 10693 C41 H57 N4 O3 S3 5889 8060 8250 1 7702 7202 6728 6642 7281 6913 1 6814 6471 7214 7290 7603 7915 1 6666 6433 6657 6317 5901 1 1 C23 H14 N12 O17 Esi-12.122 44566 44648 53539 50546 55889 86524 58109 52286 60956 62224 58509 47713 50850 52606 51096 61892 68783 92114 65016 83652 65392 63925 58673 37889 65492 > limit Esi-0.84600013 :17 10222 15620 12758 10452 11209 13704 11545 12530 12699 14058 1 10880 13100 12280 13467 12806 11873 9722 12769 12450 10683 11685 11601 8086 9156 951.2836@0.85000014 1 7376 1 9771 1 9091 1 10495 8640 6762 1 10196 8146 7790 10009 1 1 1 8972 7669 7469 7278 9768 1 9711 765.9598@0.85400003 1 7153 1 1 1 8847 1 6851 7355 10752 1 1 1 7008 1 1 1 1 1 1 1 1 7719 1 1 > limit Esi-0.8409998 :18 11530 14506 12486 12889 11228 10574 10877 9095 11096 12969 1 8356 10313 11354 9457 11944 13520 9928 9345 9662 8420 12680 7929 9803 1 > limit Esi-0.8419999 :15 7960 8794 9238 8542 9792 10122 9006 9405 6865 8252 1 8389 9890 10594 9455 8330 7358 6067 9088 11187 9349 9209 9456 7331 1 785.7653@0.85499996 10675 6272 6434 6968 5837 6711 6259 6205 6596 8636 1 1 6537 1 1 1 1 1 1 1 1 1 8760 1 6530 > limit Esi-0.84500015 :1 7653 6984 7765 6471 8356 7635 6466 7400 1 6136 1 1 6608 6244 8707 7430 8047 9637 1 6878 6517 7069 6872 9409 1 239.9387@13.976 1 1 1 1 1 11785 1 1 12048 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H12 N4 O2 Esi-13.630002 11723 22039 9890 20843 8607 11611 18261 17811 31671 16222 1 15456 13159 12607 24454 21853 27372 19931 25823 14397 12566 22420 18568 15417 17334 C43 H63 N5 O 1 7892 9906 7971 6197 6845 7215 5358 5748 5522 1 9697 6606 7166 6673 6122 7247 1 5596 7777 5685 7718 6049 1 8221 368.2055@10.189 7967 1 1 1 1 12931 1 1 1 1 1 1 1 1 1 9187 1 1 12361 1 1 1 1 8945 1 760.9929@0.91600007 1 9578 7723 1 1 9006 8376 8226 10642 8407 1 1 7557 9143 1 1 1 1 11767 1 7926 1 7847 1 7860 C32 H6 N6 O23 6357 6624 8320 1 6128 10074 8903 8753 11677 1 1 7780 9051 6852 1 8890 7056 1 6707 7265 6541 9037 9392 1 1 158.0594@12.892 1 1 1 1 1 54986 1 1 1 1 1 1 1 1 1 1 13055 1 1 1 1 1 1 1 1 967.8147@0.8450002 1 1 7839 6619 1 5417 1 1 1 1 1 8053 6711 5913 8500 5865 1 9588 10620 6251 6698 7611 6662 8733 1 Esi-0.8530001 :3 9744 9220 10611 9026 8645 10317 10009 8425 10419 9063 1 9598 8703 9510 8006 9101 10486 6810 9310 11667 8153 8683 8315 7621 6898 706.0373@0.94299996 8120 9583 8681 9491 1 8597 1 9856 1 1 1 1 1 1 10024 1 9194 1 1 9767 1 1 8682 1 1 781.9343@0.85400003 1 6101 1 1 1 10603 1 9093 7816 9930 1 1 1 6564 1 1 1 1 1 1 1 1 9776 1 1 C18 H38 Cl3 N4 O2 S4 25691 24160 27055 20657 23179 64693 25205 24684 22114 25476 1 23203 32957 46049 24892 23879 20710 12751 25884 31938 23957 27399 70201 27522 34611 Esi-6.3589177 57029 50524 20048 53458 47408 53616 58702 15847 54672 57467 1 53516 56970 49180 52708 55132 49099 53067 50464 48533 149471 46292 27971 49304 52794 C49 H19 N4 O17 51141 101259 70110 96973 72328 18856 66078 64719 76538 67013 63076 90167 67353 70986 60705 34933 66979 28351 81661 31496 76609 78561 82987 121337 86044 1020.323@0.842 5998 7759 7352 1 7522 7361 8051 1 1 6549 1 6558 6445 7885 6322 6951 8663 1 6009 7359 1 6608 1 1 1 > limit Esi-0.84199995 :22 7762 7876 9847 9459 9074 8370 6951 9817 8969 8122 1 8673 9428 7590 9703 8308 7562 1 9154 9039 10358 8325 10563 1 8623 251.8402@0.88600004 10557 1 1 8714 1 7674 1 1 1 1 1 8063 7146 1 7250 1 1 1 1 7756 6990 1 7539 1 7756 319.8193@0.871 1 1 6995 7484 1 6047 1 9530 7301 1 1 7947 5941 1 7168 1 1 1 6230 1 7586 5709 9364 1 10520 > limit Esi-0.84300023 :8 6693 6446 8878 6796 8777 8530 8288 7295 8321 9382 1 10514 7454 8756 6853 9363 7014 1 9210 7886 8012 7803 8797 1 1 607.9984@0.83699995 7581 8883 7137 1 6949 7280 7451 6694 1 1 1 1 1 6947 1 1 8695 9413 1 8067 1 6529 8567 1 1 1046.2645@0.856 1 8981 9299 9017 8396 7335 1 10547 8488 1 1 10905 11255 8092 10431 8202 1 1 8910 7928 9809 8406 10509 1 12543 326.1918@13.623 1 1 1 13418 1 12980 1 12050 12269 1 1 13182 1 1 1 9777 12586 1 1 1 1 1 1 1 1 > limit Esi-0.8462273 8225 8106 8672 1 7822 9036 6899 10491 7186 7760 1 7738 7413 7506 8195 9990 9042 8754 7801 6934 8593 6600 7060 7376 1 > limit Esi-0.84500015 :2 9262 10493 7633 7295 9706 8172 6971 9356 7997 8852 1 8041 1 8077 7024 7870 8812 9315 8855 10562 6364 6816 1 6437 1 > limit Esi-0.8409998 :19 10497 9609 9095 8348 8167 7481 9084 10138 9782 9044 1 7513 7502 10230 7348 6858 9490 15924 6832 8407 7328 6785 9451 16446 1 Esi-0.87000006 :5 8039 7467 10360 10189 7702 10330 9858 9022 6284 9181 1 8605 7029 10488 10049 8035 7472 1 9854 8783 8174 6309 9563 1 6806 322.0112@12.947 1 1 1 1 1 34484 1 1 11913 1 1 1 1 1 1 1 13715 1 1 1 1 1 1 1 1 1183.296@0.8439999 1 10511 8589 7649 8884 8325 9157 9217 1 10497 1 1 7609 11576 6827 1 1 1 9156 1 7471 8613 1 13225 1 Esi-1.5690001 :3 46248 41869 83255 39108 123769 44570 103737 37459 86881 111019 1 80169 59112 96485 106916 50998 203413 320115 105654 33232 31184 58063 74771 56934 50795 917.8288@0.841 6121 1 1 1 1 6569 6534 1 1 1 1 1 1 6227 1 7912 7526 10397 1 6641 1 1 1 10482 1 C30 H5 Cl3 N8 O7 S3 1 9572 6966 9067 7281 8726 9232 8688 8239 10772 1 6826 9852 7885 8122 7491 9180 11669 8161 6580 9558 8029 1 9192 1 307.9265@13.623 1 1 1 1 1 7558 1 1 6750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.84700006 :17 5999 8221 9386 8662 8093 7316 7337 6944 7608 6446 1 8030 7475 7892 7641 7184 7547 1 7475 8562 6548 7757 9074 1 5823 1130.4302@0.84700006 1 7383 8592 7051 1 7179 1 8503 7201 6761 1 10463 7328 7249 7223 1 1 1 7101 1 8040 6640 7865 1 8801 > limit Esi-0.84199995 :23 8452 8034 9575 9206 8896 7954 9250 10461 7566 7319 1 8160 8191 8535 9548 9420 7705 1 8366 8860 9849 9132 10731 1 8873 C35 H Cl2 N5 O2 S5 8165 8897 8425 9313 6547 8560 8081 7398 8921 9056 1 8967 7918 8355 8547 6464 6321 1 9914 7744 7978 6489 6952 1 9273 145.0235@1.024 1 1 8348 10770 1 7497 1 7600 1 1 1 1 1 6855 1 1 1 1 1 1 1 1 10364 1 1 250.1561@11.573999 1 1 6597 1 1 10907 1 1 1 7908 1 1 1 1 1 7837 1 1 10211 1 1 1 8483 10005 8014 C7 H16 Cl N2 O6 S Esi-0.942 1 21299 17446 17835 7500 15020 8217 22038 1 22288 1 17772 11764 13876 26276 7265 21850 8635 22855 11422 1 11106 19215 7872 9372 1201.0875@0.84699994 1 1 1 1 1 6716 1 1 1 1 1 1 1 1 1 1 1 7705 1 1 1 1 1 6134 1 1316.2313@0.842 1 6531 8375 8296 7186 6254 1 7620 6898 1 1 7071 7440 6356 7730 7560 1 1 6088 1 7708 6548 7489 1 6955 849.8442@0.84099996 1 1 6232 1 8533 5801 6997 1 1 1 1 1 1 6438 1 7265 8176 8571 1 7258 1 7469 1 8202 1 C40 H77 N S 7241 6691 8494 8177 1 7031 7723 8335 6020 1 1 8119 7578 5709 9076 6739 5865 1 6598 7366 5617 1 5881 1 7981 > limit Esi-0.8460001 :19 6840 8931 8072 8863 9222 10688 8073 9603 7650 10474 1 8119 9534 9265 9724 10162 8455 5900 9412 8259 8828 10461 9437 1 7829 Esi-0.8789999 :8 12817 8059 8916 10393 7445 7185 9198 7842 7917 7567 1 8004 7264 7587 6331 8021 1 8279 7811 7422 6919 6964 8079 1 6716 282.0496@1.2283334 8497 1 1 7267 7415 10809 6681 1 10051 6919 1 1 7066 6541 1 7692 7440 7737 8773 6710 1 6873 7522 8924 6298 Esi-0.868 :5 1 8396 8064 7229 1 8351 10334 9404 10355 7590 1 6124 8316 8380 7480 6668 1 1 9392 1 6100 8155 10095 1 6187 216.173@9.688799 1 1 1 42931 1 54958 48996 125612 1 24956 177687 49259 1 1 51118 44374 1 88217 1 175877 192879 74487 53989 1 112432 707.4693@0.87900007 1 1 7260 9307 1 5717 1 7769 1 1 1 8573 5742 1 6076 6432 1 1 5965 6360 1 1 1 1 6595 > limit Esi-0.846 :8 8123 8390 8368 8732 8359 9460 1 7215 10094 9100 1 7113 8028 8251 10767 7935 7275 1 7127 8511 9044 7518 7676 1 6616 214.0221@13.361 1 1 10876 27639 1 35323 16408 19874 42670 1 14753 11808 13220 1 20787 10782 24241 1 1 1 1 1 1 1 1 > limit Esi-0.84700006 :18 8425 10522 9294 10131 7947 7255 8586 9413 9232 8571 1 8831 8974 8320 11175 10294 8056 6472 8397 8466 8159 7224 8380 1 8815 C19 H28 N6 O3 Esi-11.753999 31876 1 39138 6979 1 89003 1 23389 17360 6275 1 9406 26025 17831 7114 26705 61335 16063 35882 7451 19103 23733 1 14752 1 C26 H40 N11 Esi-13.359998 :1 9214 1 20048 42834 1 73174 31680 28586 70639 27050 1 14106 24069 11010 30500 22686 58114 26468 26338 10142 14892 17556 16732 8867 9522 376.225@7.912001 18780 1 1 33821 1 103753 1 80687 91109 1 1 31583 77662 34386 1 29279 47842 23575 26162 30319 49252 26369 1 28704 1 605.3312@9.343001 38263 1 55957 35296 1 52102 1 48225 20754 1 1 17559 30801 26282 1 31456 70982 40116 55697 1 13257 17713 1 29126 1 3-hydroxy-3-methyl-Glutaric acid Esi-0.93199986 81733 131354 111916 11527 124330 117326 134170 80307 102615 108544 1 9252 93682 101587 150515 227820 46625 17585 97947 10707 152403 117123 14536 71326 95592 C7 H12 O7 Esi-1.0680002 40391 14829 47012 23858 17747 52862 17872 20671 1 13831 1 14497 13701 1 22272 21787 26329 1 18452 71818 21314 16190 12826 18747 33069 Glutaric acid Esi-0.93299997 8236 22087 25280 19859 33301 19436 38401 19083 33258 23087 1 24121 22995 23050 25208 64244 1 34581 17975 22771 38547 28599 14166 29490 21374 1155.0961@0.8460001 1 1 6587 1 1 6109 6239 1 1 7292 1 1 1 7418 1 6978 7023 1 7216 6395 1 1 1 1 1 885.6358@0.8839999 8531 11457 10247 13656 1 11410 10734 9948 6683 10222 1 1 1 9386 8947 1 1 1 8341 7646 1 1 9588 1 7224 445.9502@0.8249999 1 8897 6704 1 1 8042 6024 6389 1 1 1 1 5787 7095 9448 1 6504 1 1 1 1 1 1 1 1 312.2299@10.019 62466 1 1 1 1 73104 1 28310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H14 Cl2 N2 22528 27210 27578 21273 24719 25078 27059 23073 21162 25365 1 18082 26366 27085 30539 38529 8766 31883 24833 24366 26180 27427 27760 30896 20693 > limit Esi-0.8439999 :20 10393 10847 9746 9487 10976 10381 9244 9164 11548 9674 1 8915 11557 9387 9271 9250 9195 1 10954 8896 10922 10463 10044 1 9447 C8 H18 Cl2 N O8 S4 24483 27595 30635 30035 2173958 2079223 21693 1834814 24467 17209 32719 30915 31409 32755 30017 31463 29446 29734 1994718 2202315 27869 29605 1615659 3459390 26507 613.7325@0.87099993 1 9402 5537 1 7264 5888 8883 1 1 6409 1 1 1 1 1 1 1 10113 5891 9367 1 1 5748 10213 1 C30 H34 N O24 S Esi-11.813998 24401 17773 22078 29410 23748 47214 19974 25077 41394 20257 16673 14792 24298 19502 30492 20382 33343 32455 33727 21029 16168 23787 21338 15578 20401 C3 H7 N4 O2 47524 26210 24743 22739 22178 30427 30628 24471 25221 21476 1 17330 17149 24773 15757 22801 17454 14125 21774 36189 18832 20503 26874 21434 24693 367.7972@0.87099993 1 1 6342 1 1 5504 1 7242 1 5859 1 5523 1 1 1 5537 1 1 1 1 1 1 5449 1 5657 > limit Esi-0.8439999 :21 9804 9126 10695 7643 10097 8715 9889 9700 9788 7763 1 8354 8558 9884 10174 8572 9109 9024 8825 8612 11189 9121 9585 11022 7399 > limit Esi-0.847 :3 6335 6386 8716 8239 8023 8681 6755 8975 10274 7528 1 9009 8098 8612 9939 8556 8458 1 1 8762 7099 9009 8911 1 9010 C9 H3 N S3 16167 27539 26162 26221 8565 27876 30559 27895 14646 27291 44565 27780 27432 26017 13006 27111 59415 28712 25104 30727 30950 33368 36130 30277 58094 324.0088@13.37 1 1 1 13068 1 14044 1 11119 23209 1 1 1 1 1 1 1 15327 1 1 1 1 1 1 1 1 242.0907@3.1860006 1 17950 1 1 16755 17035 17030 1 1 1 1 17340 16995 17097 16666 19372 17662 1 18229 16468 18438 18196 16801 1 17215 Esi-0.8710001 :19 6455 7629 10724 9839 10113 6453 10148 10166 1 8309 1 8920 8547 7105 8511 6959 6649 1 10816 8261 5550 7461 7866 1 7064 > limit Esi-0.84199995 :24 8370 9670 9745 7595 8619 10056 8548 7996 10383 8310 1 9672 9739 10150 11031 8313 8494 1 10979 9425 10019 8786 10669 1 9276 713.8445@0.82100004 1 10424 1 1 1 7266 7374 7777 7674 1 1 1 6886 7495 5904 6331 1 1 6420 1 1 1 7383 1 1 C38 H56 Cl3 N12 O2 8039 9373 8815 8157 8727 8893 9666 10309 8279 10192 1 9233 9196 8754 10828 9866 9510 1 9167 7961 8029 9846 7445 1 6532 487.9008@0.8999999 1 11166 8998 7905 1 10925 8263 10889 9553 1 1 1 1 1 8097 1 8561 1 8433 1 1 7421 7744 1 1 425.7123@0.875 1 5452 6902 6651 1 6229 1 6757 6054 1 1 8785 1 1 6384 1 1 1 6118 5712 5650 5817 1 1 6098 > limit Esi-0.8460001 :20 7514 9317 7601 7120 5868 8900 6904 11788 7800 9974 1 9211 8433 10114 8174 8057 8243 7123 8524 7746 9052 7037 7463 1 6388 Esi-0.84799975 :7 8250 7642 6501 8326 7318 7394 6826 8524 5909 1 1 6527 7300 7331 6927 7307 6795 1 6241 8993 5897 6943 7035 1 1 C14 H6 N2 O16 S2 Esi-13.356 17425 11079 26510 46124 9244 80652 26845 27533 83672 19295 1 1 25768 8883 23972 21283 46568 12575 20029 11675 18657 18301 25314 14425 1 > limit Esi-0.8460001 :21 6861 8991 7300 7576 8741 7350 7871 8301 8032 7513 1 8169 7604 6308 8969 8678 6983 1 7281 6671 7088 6407 7154 1 7661 > limit Esi-0.8439999 :22 10631 10747 9896 9388 9488 9770 9710 9113 9679 8356 1 7845 8902 7780 8407 11052 9107 6713 10193 9104 8409 10370 7107 1 8474 1291.0638@0.842 7808 6665 6319 6855 6979 6203 1 7275 1 6046 1 6869 1 1 1 1 7115 1 6838 5761 1 6698 1 1 1 C8 H11 Cl N5 O4 8638 15162 23128 1 11249 17623 18797 21794 23765 13276 1 13846 18109 19109 32065 33001 13951 19057 19341 12815 23291 15808 28296 16836 19847 > limit Esi-0.8450001 :21 8402 7918 10252 9707 8205 7662 7282 9596 8854 8695 1 8162 8529 9334 10464 8073 7634 7251 6690 7168 10458 10436 9322 7137 1 932.2812@0.855 1 7222 7999 7646 1 7485 1 7101 1 1 1 1 1 6930 1 7775 1 8132 1 1 1 1 7225 6636 1 > limit Esi-0.84300023 :9 8655 9007 10061 6703 8384 6689 6242 8220 7703 9581 1 7850 7113 8529 7735 6788 8713 1 9318 8579 8103 8842 8112 1 6767 C6 H4 N O7 S2 Esi-0.84300023 360818 351733 506973 515268 444441 426822 400447 549425 573276 398676 1 572307 529669 403196 518614 423121 358841 77556 436015 389331 535140 458622 594360 83164 672406 C20 H14 N13 O13 Esi-13.627999 11569 13332 12209 16081 15134 8140 15714 11947 13747 16102 1 14363 12133 12159 14516 17122 28694 11748 16858 16729 13526 19692 14619 11243 20042 258.108@6.067 7015 1 1 1 1 17248 1 7085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.84500015 :3 7487 8708 9445 8139 9210 9371 6865 9219 7778 7458 1 7078 7209 8376 8760 10324 9701 1 1 7719 8818 7305 9977 1 7713 > limit Esi-0.844 :2 8029 7915 9008 6579 8608 8997 6935 9119 1 9027 1 6074 1 8545 9166 8728 9564 15392 8200 8233 7409 9675 1 14450 1 1087.1093@0.8430001 1 6822 1 1 6359 6713 6510 1 1 5803 1 6644 6284 7599 1 6373 6253 1 5952 6854 1 5620 1 1 1 482.2498@6.825 9157 1 1 1 1 9505 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8225 1 1 7409 1361.238@0.842 6427 6949 1 1 7272 6443 5992 1 1 8282 1 1 6645 6738 1 7019 7415 6507 6225 1 1 1 1 1 1 713.4576@0.87600017 1 1 7987 9152 6716 6417 5883 9277 6668 6379 1 8046 7013 1 7385 1 5922 1 5444 6132 6085 7354 1 1 6043 360.2307@9.738999 142842 30669 76654 27893 1 132828 1 78951 95478 1 1 44829 344654 84352 25796 53315 93498 1 54875 37254 66288 23883 1 59454 34540 > limit Esi-0.84600013 :18 9983 8147 7838 7580 7493 8604 8362 8013 9049 8570 1 6997 7213 8445 8520 8998 7742 7003 8873 7242 8347 8822 8052 6060 5804 C12 H15 N5 O2 Esi-12.947002 8121 1 12194 18116 7207 14860 24536 18062 14397 14435 1 5516 8279 1 11382 8733 17135 13559 12744 1 1 1 13037 1 1 1119.0946@0.84599996 5865 7029 1 7170 1 7474 5891 1 5984 6957 1 6373 7442 6045 1 6662 8473 1 7712 6772 7506 7401 6197 1 1 > limit Esi-0.8439999 :23 9052 6218 9071 7940 7816 7438 7656 6913 8369 1 1 6986 6605 8298 9139 8633 10768 6893 6400 6675 8990 8872 7564 7467 6281 540.9452@0.89900005 1 13230 1 7937 7563 13939 1 13047 1 18515 1 1 1 10760 9569 1 1 1 18673 1 1 1 13432 1 1 1316.2205@0.8450002 1 6531 8375 7995 7186 6254 1 7620 6898 1 1 7071 8000 6800 7730 7910 1 1 6088 1 7708 6912 7996 1 6955 645.6826@0.86700004 1 1 5882 5822 5973 6685 1 6840 6530 1 1 1 1 1 1 1 1 1 1 1 1 1 7215 1 5404 1049.2288@0.8599999 1 8828 7655 9040 6973 7677 6930 8191 7229 1 1 8830 1 8774 1 6895 7953 1 1 8701 7117 1 7405 1 7435 > limit Esi-0.8500002 :1 7689 8089 7090 8746 7561 7602 9927 6856 7177 8343 1 7606 6953 7114 7924 7895 9293 8694 7552 8433 1 1 1 8807 1 802.1521@11.690999 1 1 1 1 1 31807 1 1 20058 1 1 1 1 1 1 1 13834 1 1 1 1 1 1 1 1 312.1758@12.945 1 1 1 1 1 17404 1 1 18358 1 1 1 1 1 1 1 5368 1 1 1 1 1 1 1 1 237.114@13.37 1 1 1 16593 1 24214 1 1 25481 1 1 1 1 1 1 1 18880 1 1 1 1 1 1 1 1 C6 H12 O3 Esi-5.1750007 1 1 10569 10261 8668 18481 7286 11795 13425 21116 1 10584 1 10627 17219 10342 9290 12723 6749 1 12560 12650 22563 11763 23812 389.8031@0.86900014 1 1 7445 7618 1 6129 5623 9855 6102 1 1 7500 7523 1 7167 5776 1 1 1 1 6092 6096 9042 1 7983 800.3238@0.8479998 1 6552 9389 8510 6547 7405 7391 7293 10095 1 1 8590 8970 6347 7681 6565 1 1 1 6485 8497 6804 8687 1 10830 > limit Esi-0.8439999 :24 9475 8433 8785 7020 9437 8411 6625 8708 7961 7978 1 8542 6444 7555 9619 9832 8882 7528 8564 8307 8668 8169 8169 7437 1 > limit Esi-0.84199995 :25 8789 8681 7912 7541 6708 8284 7609 7991 6578 8805 1 5951 8131 7708 6741 7731 8324 1 6616 7546 8686 7584 7005 1 7456 Esi-0.87399995 :2 9190 8442 8937 8705 7036 8883 8706 9265 7498 7554 1 8711 7845 8257 7268 8364 8457 1 7241 7794 5738 6881 7327 1 6434 C11 H8 O3 S4 12227 21073 12271 12664 10681 20555 13831 13156 13984 17125 1 9677 14422 16223 16532 14632 11313 1 15278 11599 11618 10325 14768 1 11443 Esi-0.8739999 :1 5887 7904 8973 7465 7257 6010 7563 9236 7501 8023 1 8506 6565 6210 7663 5872 7080 1 6889 6468 5878 6940 7363 1 1 > limit Esi-0.846 :9 8357 9190 13799 8983 10114 12441 10645 11710 9549 12938 1 10836 9673 11859 10404 10639 10912 1 1 8083 11097 10097 11340 1 6861 C8 H11 N3 O2 Esi-12.949998 1 1 14728 11161 1 149004 9154 9523 37650 6785 1 1 12972 1 16305 8923 39381 13172 14701 1 1 1 1 1 1 > limit Esi-0.842 :5 7279 7762 7243 7582 8405 8354 7030 7897 6246 7689 1 6875 7506 6471 6922 7328 6854 1 6845 6973 7524 7703 1 1 1 C21 H24 N9 O17 Esi-11.494001 34901 20012 32641 32810 17190 44130 37558 30899 36783 22024 21840 18152 27401 26177 23988 30108 117185 34356 29879 33648 33041 36896 32824 31791 27168 1122.3127@0.844 7743 6954 8154 1 8838 8215 9718 7470 1 10776 1 8341 6924 8169 7441 9885 8478 7978 1 7910 6987 8190 1 8656 1 > limit Esi-0.844 :3 7366 9381 7285 8788 7699 8532 6919 6826 1 6429 1 7111 7882 7175 7582 8445 10392 10192 5849 10054 1 8612 7311 9841 1 Esi-0.8739999 :2 8147 7647 9640 8796 7153 9717 8578 7987 7072 7697 1 7722 8133 6107 7773 6716 6862 1 6546 7769 6651 6949 1 1 1 214.1202@7.202 10225 1 1 15086 1 17386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.6619@0.8660001 1 1 9233 5554 1 7135 6422 6900 9239 8572 1 7947 5993 6800 1 1 1 6292 6169 1 1 5212 9287 1 8566 L-Leucine Esi-2.063 1 42435 41855 1 1 43250 14052 17159 1 14878 1 1 13023 68792 12203 37392 33635 72932 39173 50349 58541 71804 59719 41796 77188 1153.0948@0.84700006 1 1 9334 6153 6507 9421 7230 6855 9001 1 1 6709 7600 8553 8642 6676 7090 1 1 6803 7291 9143 8892 1 7216 132.0786@4.2724442 47294 125651 1 1 1 125870 1 40349 72064 1 1 1 137449 1 1 34887 96219 1 1 1 21609 1 1 1 1 404.2143@9.584 51850 1 23749 38903 1 33393 1 53261 29284 19786 1 28816 35391 13765 19219 28677 30535 1 37430 22015 26393 18647 1 30795 1 C9 H4 N O11 S 6342 11509 6860 7378 1 8463 7613 8919 10772 8558 1 1 8899 8044 9763 8520 1 1 8258 6484 1 1 7218 1 7263 > limit Esi-0.846 :10 5967 1 6862 8673 6287 6730 8075 9242 8508 9014 1 8942 8670 8124 8368 8626 6707 1 8308 7195 7556 7352 7299 1 9037 168.0526@0.909 7098 1 1 1 1 9910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1056.4707@0.8450002 5716 9253 6064 1 6476 6977 8221 1 6707 8189 1 1 1 5726 1 8191 7571 1 6264 8217 7332 1 1 7947 1 C18 H32 O3 Esi-11.460003 130256 154773 52791 59616 13989 105896 8789 60308 34711 10700 1 25355 71450 42206 23265 38667 47358 27942 43606 25814 11416 28652 16126 32996 41716 700.3734@0.8409999 6344 6220 1 1 6633 5762 9261 1 1 6560 1 1 1 7090 1 6118 6808 7837 1 6262 1 1 1 8669 1 1061.786@0.8409999 6585 10805 1 1 7786 9059 1 1 1 10690 1 5688 1 8494 1 6984 9590 8829 6674 7485 1 1 1 7606 1 Esi-0.8710001 :20 6166 8100 7514 8014 7334 7704 8558 7675 6920 7342 1 6397 6557 6505 6780 6575 7821 1 7135 6591 6472 6183 7007 1 1 C5 H10 N5 O Esi-13.625 1 1 1 25419 13065 17348 17305 22542 20118 15567 1 14655 10036 1 22868 14340 23998 14497 16586 15905 12480 20292 19960 15763 16633 C49 H106 Cl3 N13 9574 8835 10489 7286 10233 10496 9273 11814 10131 7630 1 7240 7212 10520 7396 9736 9917 1 8822 12936 8579 8606 12437 7066 7047 Esi-0.8789999 :9 1 7868 9311 7982 6250 5788 7327 6906 1 6839 1 7994 6187 6183 6370 7186 6061 9565 6523 6779 6157 7084 6653 7648 1 > limit Esi-0.84599996 :2 8397 8372 6653 6977 1 7255 8468 7130 1 9200 1 1 6204 7392 8368 8215 9499 16266 8009 7064 1 9055 1 13794 1 235.1572@11.662001 1 1 1 7422 1 8773 7583 10263 8385 1 1 1 1 1 7716 1 9310 7387 6426 1 1 1 1 1 1 681.772@0.88299996 1 1 1 1 1 7108 1 11502 10380 7503 1 1 1 8051 1 1 1 1 7329 1 1 1 12126 1 1 > limit Esi-0.8419999 :16 8013 9740 11201 8702 9093 9960 12434 8451 9455 9377 1 10021 8754 10081 9402 9984 9237 1 9416 11214 8000 9550 9821 6249 7814 Esi-0.84199995 :5 7949 9803 7092 7445 8846 9146 7652 7726 6886 7382 1 8077 8789 9009 8246 8915 8960 1 7004 6881 7354 7241 7988 1 7393 > limit Esi-0.84199995 :26 15657 16383 11914 11950 14245 15745 13583 11697 12098 15424 1 12507 12844 15442 14094 15760 16841 1 14089 15182 13555 14929 11128 1 9504 693.6203@0.866 1 1 6895 6756 1 6809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8450001 :22 7423 9427 8552 8091 5881 7137 6952 9144 7829 8252 1 6272 7128 6700 6382 8311 7140 15185 7238 6592 6712 6629 8028 14685 1 477.9082@0.8249999 1 1 1 1 1 6008 1 7871 6109 1 1 1 6415 1 5951 1 1 1 1 1 1 1 6910 1 5712 607.3482@9.609 50628 1 24882 39527 1 85008 1 96807 14162 1 1 9632 32837 23176 1 13745 50702 28806 53833 1 1 1 1 13806 1 > limit Esi-0.8460001 :22 7866 11375 6730 8261 10266 8899 10234 10412 7452 12296 1 7998 7008 9226 9344 9037 9208 8926 9253 9839 7198 8798 6814 5846 1 > limit Esi-0.8450001 :23 7006 8530 8005 6836 8687 9059 7440 7507 7260 8406 1 8178 8783 8105 9065 7589 7475 1 7308 8581 7807 8610 8256 1 6330 > limit Esi-0.84700006 :19 7464 8347 8701 10533 8967 9159 8218 8369 7688 7563 1 9163 8779 7437 8396 7585 7119 1 8704 7697 8699 7963 8717 1 7078 C17 H4 Cl3 N3 O3 23339 36790 31595 40554 15184 35373 25113 26573 36260 24303 1 49677 17930 116556 26941 30765 34387 13967 21124 1 41063 11070 11678 45757 55302 C13 H14 N6 O5 Esi-13.363999 1 1 12191 19832 1 13152 18593 21289 12622 14227 1 1 12455 1 16876 13492 23387 11385 13060 1 1 1 1 1 1 Esi-0.8710001 :21 1 6482 8157 7138 7130 6403 7381 7445 6328 7145 1 6803 6356 1 6732 6053 5868 1 7133 6295 6784 6216 6344 1 1 146.0576@1.8722498 1 41374 1 38597 1 44939 44304 36089 1 1 1 36647 45701 38858 43382 43306 45795 1 40139 36994 47213 44462 1 1 46134 Esi-0.9470003 9217 26962 19123 24746 37377 17905 39420 18060 43585 36260 1 14087 19569 13987 24569 11045 15871 11801 17959 14217 13571 17336 39014 14548 14214 > limit Esi-0.84500015 :4 6848 7275 6609 7773 7300 7850 7252 7885 6412 7112 1 8222 7622 6999 8509 1 5892 6079 1 1 8997 5732 5891 5859 7069 1159.0966@0.84599996 1 1 7264 7743 7954 9137 1 6699 6973 1 1 7655 6917 6192 7475 1 1 1 7448 6257 7026 7252 6437 1 8872 C22 H6 N O26 Esi-13.363004 19732 26020 25379 27139 15890 78803 57046 25604 52141 58747 97089 24136 20046 27629 22372 17789 25330 33843 22712 25151 21898 23613 20851 29494 21472 > limit Esi-0.847 :4 6685 8215 8004 8140 7846 6807 7080 7076 1 7500 1 7604 6844 1 6414 8121 7861 7634 1 8647 6868 7947 7642 1 1 > limit Esi-0.84500015 :5 6929 6779 8681 9850 7523 7971 1 7507 7328 7520 1 5851 8103 7511 10417 1 6790 1 7483 7289 9232 7805 9258 1 8505 960.1617@0.941 1 1 1 1 1 11574 1 10355 7597 1 1 1 1 7603 1 1 1 1 9809 1 1 1 9756 1 6648 > limit Esi-0.84599996 :3 6907 9186 7094 1 8658 8201 7757 9215 6516 6746 1 8564 1 6390 8825 8388 8090 1 6935 1 6557 1 8556 1 1 > limit Esi-0.8460001 :23 9180 10391 11250 10899 11686 9717 10040 9015 10185 10142 1 9369 8892 11109 8661 11830 10786 5483 11303 10343 9868 9838 8886 1 8408 > limit Esi-0.84700006 :20 1 6518 6979 7521 6717 9203 7145 1 1 6419 1 6758 6915 8226 7160 7899 7094 17909 8552 7327 5655 7837 1 1 1 326.2083@7.653 50798 1 20503 28955 1 34394 1 26140 1 1 1 20749 37004 1 26345 20493 1 1 37627 26823 1 1 1 35682 1 1387.04@0.84700006 6488 6512 7960 6306 8431 6857 1 1 1 1 1 1 1 7544 1 1 5826 1 6038 1 1 6497 6585 1 1 C28 H27 N2 O30 Esi-12.360996 150174 215594 76992 159576 84391 72437 127819 150433 95009 141436 107343 137076 121472 76945 248774 119728 108539 202667 73289 127533 220930 90472 182156 80227 88667 Isocitric acid Esi-1.0109999 8902 38457 37226 1 10882 25818 1 39012 1 35843 1 19920 30993 35360 38323 20179 1 35835 37817 1 22923 34362 42774 32950 9382 > limit Esi-0.84500015 :6 8438 6883 8030 7931 6210 6579 6040 8686 1 7589 1 1 6012 8121 7893 7136 7587 11671 7140 7201 6299 8527 6320 9586 1 > limit Esi-0.84199995 :27 14054 13561 19518 15371 14845 15571 13118 13493 15511 14587 1 17366 18068 15083 16586 14809 14115 1 15062 13977 13803 17183 16150 1 14890 Esi-0.85799986 :13 10824 11430 15907 12554 10916 13272 12144 12528 10767 12399 1 11636 11772 11294 12372 11114 13107 1 10840 11085 9251 11496 11673 1 9788 Esi-0.8710001 :22 5879 6764 7617 7140 1 7274 6394 8271 6354 7593 1 7889 7538 5924 6553 6209 5465 1 6468 1 7000 6382 7135 1 6734 1221.0792@0.84700006 1 7190 7327 6568 1 6815 6803 7796 8622 7849 1 7366 8073 7113 6927 6716 1 1 7055 6617 9135 7169 1 1 7301 > limit Esi-0.8439999 :25 8645 9133 8233 7358 7941 8194 6356 6446 7601 8334 1 1 6444 8630 6569 8956 8256 9773 7145 7603 6921 9196 7049 9233 8100 775.6923@0.8719998 1 8983 9464 8284 6634 9507 7748 9580 1 1 1 6378 11080 7516 6490 1 1 1 7230 1 1 1 1 1 6793 1146.4323@0.849 7048 9095 1 1 1 7214 6689 1 1 1 1 1 1 7303 8566 1 1 1 1 1 1 6248 1 1 1 C15 H9 N3 O8 10523 31795 22445 13071 20582 30195 26657 31156 33437 36767 1 1 20778 32969 21220 19863 18748 1 34099 6861 17365 23534 36623 7203 18323 > limit Esi-0.8439999 :26 8374 9075 8239 7497 8435 6814 8444 6996 8631 7406 1 7527 6624 8297 9302 8274 7665 1 7018 7624 7885 7306 8135 1 7028 C24 H33 N O4 8023 6768 8236 6158 8895 8250 8614 5914 7455 7351 1 6540 6745 6852 7128 7056 8451 8132 7809 9058 7819 9335 8265 8179 7455 > limit Esi-0.847 :5 6735 9002 6669 5957 7576 8244 7800 1 8205 6463 1 1 6787 7856 8191 9186 9052 7136 7552 6925 7089 7401 7520 1 1 > limit Esi-0.8450002 6568 9671 1 7211 7348 7173 7236 8110 1 7745 1 7296 7100 8067 6085 9489 8973 1 7199 7078 7858 6553 6935 1 1 > limit Esi-0.8460001 :24 7694 7694 6775 8580 6382 8312 9105 8139 8847 6380 1 7649 8331 7471 6484 9182 8877 1 9071 7835 8117 7932 7860 1 6070 C12 H24 O3 Esi-9.294104 141778 110557 80313 110610 70868 100843 163430 135136 1 1 1 58098 112169 135045 161534 81657 1 89327 141350 1 103123 1 58941 41115 83606 533.9326@12.953001 1 1 8089 1 1 170843 19687 1 83109 16495 1 1 1 1 1 29509 50198 1 1 1 1 1 1 1 1 697.9905@0.85300004 1 13517 1 1 1 12309 7288 9369 9589 14157 1 1 1 11186 1 1 1 7314 8669 1 1 1 11586 7542 1 C31 H69 Cl3 N13 O3 S 6457 7010 6797 7420 6294 5901 8080 6031 1 6810 1 6787 1 6172 6937 6815 6076 5859 6240 6318 1 6266 1 5573 1 286.0823@0.98200005 1 1 1 1 1 7343 1 1 8250 1 1 1 1 1 1 7098 1 1 1 1 1 1 1 1 1 168.0281@1.478 1 1 1 1 1 15057 1 1 1 1 1 17365 1 14002 1 16682 1 21984 1 1 1 1 1 12424 1 Esi-0.9960001 65543 34314 48055 81872 52691 27277 44669 28345 17552 28893 1 60799 37059 18947 26506 27362 55208 80205 26199 84981 34428 40986 26310 72312 6253 1181.0829@0.84700006 1 6947 8300 5882 6567 5947 6808 1 8532 1 1 6346 1 1 7315 6952 1 1 7040 6594 7298 6380 8198 1 6139 C6 H4 N O2 S3 Esi-2.9512503 53510 1 150187 103536 37470 30245 10412 54438 1 31832 163229 19003 45597 40022 58523 11314 15484 1 1 29862 1 28431 10258 254283 67083 C25 H23 N7 O22 Esi-11.916996 82023 102419 88785 49864 61712 33158 70324 84059 71360 58806 123374 125009 286240 144437 74247 303614 36281 84291 78161 77271 76286 164993 78916 106891 98952 1336.3867@0.847 1 6489 1 1 6165 5978 1 1 1 6448 1 1 1 1 1 1 1 1 1 1 1 6186 1 1 1 C51 H87 N5 O2 8421 11375 12558 13672 1 9869 11623 11202 11800 14282 1 1 10200 14806 10530 8896 8641 10011 11571 11841 7445 1 14196 8824 10551 649.919@12.9470005 1 1 1 1 1 108406 53323 1 59512 16435 1 1 1 1 1 1 53046 1 1 1 1 1 1 1 1 C4 H Cl2 N4 O S4 24111 22998 21840 22216 19825 22531 24280 23434 23415 24307 186001 1 22805 1 22424 21675 13600 24189 1 24115 26894 27897 26537 23923 24102 267.9959@8.678 1 7207 1 7615 1 8130 8303 1 1 1 1 7990 1 8429 1 1 8029 1 7456 1 1 7614 7893 7787 8874 C17 H40 Cl2 N9 O2 S3 62138 1 32845 36272 1 46911 1 41094 21825 1 1 18249 41360 14107 17460 23984 29671 14728 32006 17255 1 18544 1 26629 1 497.9339@0.84599996 1 1 6887 6782 6913 6983 6794 7447 6542 1 1 7174 7970 6938 1 6540 1 1 1 1 6620 6489 7049 1 6391 > limit Esi-0.846 :11 6885 7055 7990 8842 7158 8581 6176 1 8020 7307 1 6396 7521 7118 7698 7462 6711 1 6714 7563 8046 6556 7523 1 7363 > limit Esi-0.842 :6 7107 8294 9395 7034 5738 7431 6991 5702 5921 6898 1 7047 6388 6945 7998 7293 6563 1 6216 1 7069 6390 6786 1 1 727.659@0.868 1 8932 9168 8400 1 7250 6331 9806 6519 1 1 7065 6518 6145 9329 1 1 8051 7099 7038 6891 1 8381 7553 6377 C22 H23 N10 O15 S 57921 76691 74114 83024 109461 61346 103006 83795 91252 99198 91784 74449 69991 120869 71430 65049 92475 101737 156905 87609 106591 119388 146396 75837 101482 C19 H24 N2 O22 Esi-11.502001 43997 26389 33783 32132 23484 49908 29191 34651 30660 28867 33167 37420 41480 32947 33612 41215 43374 29287 48278 42808 32437 41518 44540 40284 18219 > limit Esi-0.84700006 :21 9306 7977 7894 7571 7074 6439 8339 6798 7432 6438 1 7980 6739 8793 7603 8745 9101 1 8516 6603 7652 6981 8012 1 7296 557.3323@8.548998 1 20427 1 26331 19031 22723 18058 1 1 13013 1 1 1 1 14736 1 1 35561 1 46826 1 19911 22179 16178 14974 277.0838@1.013 1 1 1 1 1 7156 1 1 7232 1 1 1 1 1 8603 7923 1 1 8800 1 1 8182 1 1 1 913.6297@0.86600006 1 6883 9705 10854 7173 6560 1 1 7660 1 1 1 7290 1 1 7969 1 1 1 1 1 1 1 1 7672 278.0576@0.9239999 1 1 6742 1 1 11346 1 6839 11047 1 1 1 1 1 9196 12465 1 1 7794 1 1 1 1 1 1 > limit Esi-0.84500015 :7 8622 7823 8410 6966 8745 7747 1 7083 7255 8458 1 5993 7358 6527 7285 7202 7056 7651 7277 7263 8314 8306 6124 1 1 C23 H20 N5 O22 Esi-11.966002 24867 1 24873 31179 25446 32363 31695 26091 27373 23262 27002 18325 26754 23171 23039 24288 22758 26470 28583 31114 22294 29465 28700 29082 26690 1075.112@0.84700006 1 1 7675 9040 6688 8726 5960 8086 8048 7390 1 7801 6444 6992 8363 5796 1 1 1 6432 6458 7754 6683 1 6708 958.9741@2.7396252 1 1 1 1 1 47249 43223 1 18722 1 10222 1 8866 20478 1 1 9872 1 1 1 1 1 1 74454 1 387.8095@0.87099993 1 1 6044 6614 1 5535 1 8031 5862 1 1 6212 6122 1 6436 1 1 1 5688 1 1 1 7074 1 8709 253.8381@0.88500005 7853 1 1 8050 1 8959 1 1 6733 1 1 1 7914 1 1 1 1 1 1 7282 1 1 1 1 1 747.8766@0.838 1 8220 6157 1 7655 8924 7726 1 1 10222 1 6347 1 10323 1 6979 6203 6350 1 6312 1 6147 1 6542 1 1152.4286@0.849 1 7102 8316 8107 7008 6602 1 7851 8678 6932 1 7669 1 1 6527 7191 1 1 7093 7674 7456 6621 8619 1 1 C10 H8 N8 O6 30697 69715 22807 74613 114143 34851 186018 64591 160704 35990 1 106419 37735 69305 83032 34678 26552 26594 46538 174108 74563 128827 110684 35958 133864 1145.2721@0.849 6809 8114 1 1 1 8061 6283 1 1 1 1 1 1 6993 1 6386 7159 1 6745 6867 1 1 1 1 1 C6 H6 Cl3 N2 O3 107332 113110 42424 21573 90172 147456 134784 101958 126199 118302 137513 16243 105096 196773 196582 108074 123644 30984 10332 109704 152112 125517 76880 112744 103201 288.0955@3.1819994 16544 1 16427 1 18796 16580 18025 1 1 19081 1 1 17858 17522 18477 1 17274 1 20010 17429 18483 19292 17957 1 18439 897.6681@0.8669999 1 10118 7160 6403 1 8184 1 8054 5261 1 1 9073 6366 1 1 6106 5690 1 7833 5989 1 1 7884 1 1 1197.0837@0.851 1 1 1 1 1 7755 6491 1 1 1 1 1 1 1 1 1 7177 1 6692 6942 1 1 1 1 1 > limit Esi-0.845 :7 9991 9372 12567 9745 9695 8371 9161 7403 7813 9967 1 9522 9559 10428 9808 10235 8419 10431 9234 10871 9212 8236 9280 7531 7952 Esi-0.9290002 65647 81945 47973 52404 7098 52968 82372 55254 65869 63707 1 65607 6933 74192 45454 148447 32486 7753 42987 52142 88978 48659 63209 63157 43062 246.0513@1.223 1 1 1 1 1 7565 1 1 1 1 1 1 1 1 8397 1 1 1 1 6610 1 1 7134 1 1 274.0443@0.94899994 11053 1 7125 7615 1 7068 1 1 1 1 1 1 1 1 6928 1 6917 1 1 8626 1 1 8103 1 1 > limit Esi-0.84199995 :28 7055 8184 8886 7172 8336 6442 6334 7488 6713 7495 1 5997 7780 6895 7788 7736 6556 1 8184 6614 7982 8874 7317 1 7472 535.9313@13.348 1 1 1 1 1 18899 1 1 17252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1099.1157@0.84700006 6802 9030 1 1 1 8501 6982 8757 7003 8094 1 6762 7761 7657 6650 6689 6736 12714 6273 6432 1 1 1 12000 1 1059.1232@0.8439999 6772 8852 6751 1 7963 6436 8445 6691 1 7876 1 1 1 7366 1 6922 8161 1 1 6628 1 6477 1 6597 1 1240.4252@0.8450002 7370 5641 1 1 1 6901 7141 6318 1 6303 1 1 1 8472 1 1 7962 7224 6726 1 1 1 1 6556 1 > limit Esi-0.84599996 :4 6136 1 8010 7835 7639 7026 1 1 6495 1 1 1 7327 6432 6665 6945 6843 6207 6900 7743 7354 6622 6341 6453 1 1107.1025@0.8479999 1 6424 7168 1 5769 7054 1 7245 7050 8212 1 7446 1 6907 6671 1 1 1 7354 6426 1 6505 7360 1 1 787.3239@0.8479998 6578 1 9383 8559 1 7838 1 6850 6548 7176 1 6579 7133 1 1 6197 7627 1 7485 7434 7477 1 8482 1 6660 908.1221@11.295999 15272 1 12937 11986 1 13794 1 13890 1 1 1 1 13439 1 1 10672 12785 1 14075 1 1 1 1 1 1 C34 H16 N16 O11 23685 24458 55006 56791 29218 37820 43767 15691 67660 42788 22286 34940 36952 40933 45262 53078 45252 56219 66966 73309 63777 46430 43707 37766 32393 > limit Esi-0.84799975 :11 1 1 8403 7195 7503 9125 6289 6478 7913 8123 1 6718 6951 1 7737 6944 7703 1 7242 8605 7159 6261 8063 1 7026 > limit Esi-0.8468236 5666 6629 7822 1 6768 7577 6734 7095 1 7195 1 6335 1 7564 6139 8815 6487 1 6264 8345 1 6867 1 6682 1 1158.4069@0.84799993 1 7243 1 7507 1 7914 6165 7399 8392 1 1 1 1 6994 6727 1 1 1 1 6747 7413 1 7911 1 1 > limit Esi-0.8439999 :27 8147 9902 8703 7828 9108 9195 10410 6545 6697 7749 1 9692 8260 10394 7157 9367 10563 7291 8532 9358 6899 9090 6161 8248 1 > limit Esi-0.84581816 6585 8176 7721 8114 9185 10706 8633 9554 8713 9621 1 8663 8748 9557 10016 7285 7719 15193 8644 8983 7638 8676 1 13026 1 > limit Esi-0.84599996 :5 6501 8563 7514 1 6704 7820 7565 8029 7394 8220 1 6762 7202 7202 7315 8279 8324 1 7848 8476 1 6361 6213 1 1 C3 H5 N3 O2 29723 60349 88420 45037 32431 51962 41057 56748 24164 38126 1 30100 41451 38116 38450 45941 29863 19690 44316 41560 45589 47372 49193 33578 40278 C36 H56 N17 O3 S 6968 8358 6342 8354 6236 6167 8021 6714 1 6909 1 6707 6268 7188 6047 6394 6326 6629 5725 6699 1 6368 1 6063 1 C5 H7 Cl O3 S 1820890 1809489 1821130 1880381 1917456 1813960 1916971 1816460 1837181 1852238 708302 1874824 1892899 1837077 1869592 1909095 1784351 1905539 1765779 1840503 1872682 1865697 1814982 2031378 1814659 439.8709@0.78800005 1 7922 1 1 1 7572 1 8358 8311 6594 1 1 1 6779 7449 8876 1 1 8563 1 1 1 7379 1 7110 > limit Esi-0.84300023 :10 11788 12194 11363 8722 10729 9385 12713 9651 9292 13480 1 10012 9080 13930 9611 10943 11164 7124 10459 10634 10024 11301 8237 7198 1 C12 H9 N2 O2 S 1 21372 17555 16828 12400 14194 19378 18929 9281 22247 1 15721 14326 17601 20262 14890 12094 8117 19517 11363 9608 19128 19678 7297 15420 909.937@0.842 1 1 6727 1 5980 7950 7244 7591 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229.2314@0.847 8300 1 6487 9925 5932 7597 1 6716 6677 8812 1 6707 7939 8213 8879 1 6465 1 7055 7862 8456 8187 9250 1 8293 617.7776@0.871 1 27334 7644 11533 21882 17065 13511 17400 1 14074 1 1 9982 10736 1 1 12215 1 12555 1 1 1 11012 1 15258 C4 H4 N2 O2 S Esi-0.9489999 36128 24494 35647 33319 27658 28648 27094 29902 22384 26480 1 20778 28382 27877 27669 22432 27531 24262 25998 35132 24183 26353 30709 22247 27340 753.4446@0.87800014 6123 8430 7264 8267 6641 6148 7377 7199 1 6558 1 7085 6038 6180 6345 6922 7577 1 5797 7785 5679 6613 1 1 1 855.3722@0.875 1 1 5782 7798 1 7766 1 7030 6395 1 1 6592 7082 1 5774 1 1 8878 1 6155 1 1 6844 6820 6841 230.1514@8.081 1 1 1 1 1 17231 58471 1 1 30167 1 1 1 1 1 1 15301 1 13008 9508 1 1 1 1 1 C15 H13 Cl2 O5 S Esi-0.8979999 1 13201 14140 13984 15646 13630 1 14227 17700 16118 1 1 1 12935 16477 8474 20601 1 10342 20262 27948 16373 12649 1 13635 > limit Esi-0.84384215 1 6582 6583 1 5768 7326 5846 6973 6899 7630 1 7074 7091 7677 6218 8206 6220 1 7024 6703 1 5773 7351 1 7303 487.6659@0.875 7655 1 6604 7409 1 6166 1 8207 1 1 1 6037 6543 1 1 1 1 1 1 1 1 1 6673 1 6695 158.0594@13.378899 1 1 9008 21022 1 27009 12594 12571 20053 14426 1 1 1 1 16487 10334 21910 1 1 1 1 1 1 1 1 533.9321@12.951002 1 1 9053 1 1 171459 30883 1 82574 21210 1 1 1 1 1 29509 66163 1 1 1 1 1 1 1 1 316.1658@13.358001 1 1 1 14293 1 21546 11239 1 22933 1 1 1 1 1 11741 1 20084 1 1 1 1 1 1 1 1 647.8285@0.88299996 1 6543 1 1 1 6821 1 6988 1 8297 1 1 1 6856 1 7390 1 1 8373 1 1 1 1 1 1 181.0857@13.63 1 1 11640 17354 1 20581 33140 1 1 1 1 1 1 14824 14048 21153 30189 1 14565 20065 15876 1 18709 11302 1 1080.4391@0.849 1 1 1 7587 7111 6875 6958 9211 10038 6377 1 7745 5743 6385 8632 1 1 1 1 9226 1 7229 7158 1 6850 506.3404@14.102 1 1 1 1 10574 20495 15529 1 13640 12966 10236 1 1 1 1 1 10632 12475 16767 12971 9393 1 9431 1 1 781.856@0.83900005 1 7461 6875 1 1 6651 8153 7278 1 7014 1 1 1 6455 1 7502 7402 6699 1 6700 1 7203 1 6882 1 C20 H19 N7 O19 Esi-11.695376 16078 19061 19964 22664 18775 47328 48942 19555 14393 10301 1 24544 22077 19248 50963 60036 22846 24312 28026 29525 28675 20956 20637 56323 25541 570.0024@0.838 1 1 6635 1 6768 6946 1 7316 8147 1 1 5737 6413 1 1 1 1 1 7086 1 6366 7509 8302 1 6508 > limit Esi-0.84300023 :11 8143 1 6917 6863 6131 6579 6715 1 1 6430 1 6123 6207 7632 7200 6525 6673 7845 6142 5696 7169 7137 7269 6882 7108 945.5986@0.875 1 1 1 1 1 7536 1 1 1 8135 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 581.9217@0.8249999 1 6168 6656 1 1 6384 5658 1 1 6486 1 1 1 5555 1 1 1 1 1 1 1 5781 1 1 1 1091.1177@0.846 1 1 6051 6667 6588 7251 7908 6930 6829 7399 1 6618 6547 1 6890 1 1 1 8345 1 7228 1 8099 1 1 C16 H23 N7 O2 Esi-13.362 8938 1 13918 25121 1 25154 20769 15784 39433 14260 1 1 15307 1 21613 13996 29117 15077 14375 1 1 11716 1 1 1 1141.0962@0.849 1 1 6540 8051 1 6889 1 6823 1 1 1 1 5872 6875 6553 1 1 1 1 1 1 1 1 1 6421 1251.0779@0.84599996 6987 8098 7498 6441 7926 8354 1 7019 1 7083 1 7294 8008 1 6585 1 6568 1 6835 6629 6248 6790 1 1 1 447.9436@0.92500013 1 11753 13156 12656 1 12815 9917 18394 12467 13148 1 8106 1 1 13553 1 1 1 1 8144 1 1 17829 1 1 258.1078@6.07 7971 1 1 1 1 17243 1 7085 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 624.0764@11.823 1 1 1 21637 1 34130 1 1 21435 1 1 1 1 1 1 1 20725 1 1 1 1 1 1 1 1 689.6252@0.86999995 1 1 7715 6454 1 7605 1 6487 6361 5897 1 6026 5903 1 6342 5336 1 1 1 1 5943 5456 6561 1 7357 1058.471@0.8450002 7332 7733 1 1 7128 6926 6833 1 1 7812 1 1 1 6604 1 8584 8079 8803 6700 7964 1 7238 1 8912 1 > limit Esi-0.8409998 :20 10650 13714 11405 13095 9548 12099 9661 13336 11893 11290 1 8396 10460 10728 11843 12960 12025 7669 11137 9826 10241 11564 8046 8055 1 C31 H30 N5 O23 Esi-11.287999 :1 35359 1 23886 27175 1 27905 1 28496 17820 1 1 15544 27599 11292 16046 20560 25125 12536 28749 15941 1 18325 1 20556 1 C58 H50 Cl2 O2 7345 6238 9102 9772 8528 8809 6658 9834 9730 6981 1 8320 8006 7686 6763 7620 1 1 9764 8291 8245 7562 9227 1 10023 667.8015@0.881 1 1 1 1 1 7177 1 1 8386 12849 1 1 1 8764 1 1 1 1 8753 1 1 1 9993 1 1 131.0944@1.8250003 1 20509 22706 21844 1 16511 17676 1 1 1 1 1 1 24016 1 12821 19682 26649 30354 36085 26885 37135 42030 26629 40437 > limit Esi-0.847 :6 6320 7770 6699 6939 6481 7581 7921 7695 5928 7641 1 1 6236 6779 7436 7652 6552 1 7559 8384 6397 6336 6656 1 1 C10 H2 N Esi-0.9589998 25110 29929 29949 29610 27818 31694 24816 34763 10080 31951 1 31405 26795 32411 30368 26313 17059 16675 34687 28218 23290 26281 31751 16944 30179 > limit Esi-0.84700006 :22 10470 8027 10794 6644 8626 9658 6237 9459 9405 11108 1 9384 9748 9267 7684 8827 6435 6120 10253 10059 8018 7766 8231 6808 1 1364.3977@0.84599996 7180 6982 6869 1 8495 7613 6487 5895 1 7399 1 6311 6356 1 1 6858 1 1 1 6818 7386 7219 7272 1 1 Esi-0.8789999 :10 1 7868 9311 7982 6250 6450 7688 7030 1 6839 1 7994 6187 8090 6370 7186 6061 9565 6900 6779 6630 6825 6653 7648 1 C9 H16 O3 Esi-7.2250004 20709 1 31968 41379 1 80712 1 26209 35354 63467 1 113872 40771 34285 20977 25075 51106 27763 43973 149680 61203 28441 19516 12004 9398 670.8579@0.842 1 6416 1 1 6133 6022 6082 1 1 6572 1 1 6195 1 1 1 1 1 1 1 1 1 1 1 1 1068.4558@0.849 6684 1 1 1 1 7975 6201 6942 7501 1 1 1 1 1 1 1 6168 1 7135 1 1 1 1 1 1 C5 H12 N2 O2 Esi-0.88400006 :1 9756 8535 10894 46266 27823 34985 53156 40715 45454 44742 1 30500 30911 8159 29763 8297 9837 22732 9995 13217 8156 10874 11059 16449 43063 322.0117@13.373999 1 1 1 20658 1 21257 13766 13961 30694 11145 1 1 11185 1 12729 10200 16428 1 10623 1 1 1 1 1 1 1441.6982@0.842 1 6773 7247 6871 1 6417 6030 6281 6905 6866 1 1 6984 1 7957 7028 1 1 7258 1 8173 6646 6950 1 7179 1320.2456@0.842 7157 7946 1 1 1 7168 1 1 1 1 1 1 1 6728 1 1 6408 7468 1 1 1 1 1 6702 1 294.2164@11.091 1 10438 1 1 1 57729 1 1 1 1 1 1 1 1 17023 26357 19356 1 1 31933 1 12832 1 1 13291 > limit Esi-0.8419998 :69 7423 8198 7849 9085 7014 7814 7627 7500 8302 7735 1 5538 7218 6203 9079 6002 7444 8149 6180 7243 6667 6272 6870 7412 6951 C8 H11 N3 O2 Esi-13.626004 1 1 10669 15009 15865 48511 26539 14701 42231 16252 1 15843 14563 15038 12308 20317 22752 11273 12227 21089 10184 11983 16714 11765 10174 1395.215@0.842 5819 7144 1 6875 7114 7979 6116 1 1 7820 1 1 7108 7318 6291 6519 7426 1 1 1 7121 1 1 1 1 C7 H11 N5 O4 Esi-13.325003 1 30508 43542 34630 1 145814 118636 11395 19278 97926 1 1 34674 54976 104281 19972 85803 24850 55580 30166 1 124771 118591 78897 136535 130.0627@3.722 1 1 1 1 1 71096 1 1 18386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260.3992@0.842 1 1 6859 1 7213 7184 1 1 1 1 1 1 1 6006 1 1 1 1 1 1 1 1 1 1 7275 C7 H16 Cl2 N2 O4 132865 144046 136127 155901 96229 107816 112035 128041 46424 134098 1 85506 98441 134330 158183 79401 138173 128664 166932 181279 61398 105413 154951 174308 95316 401.0244@0.942 1 8004 1 7058 1 6311 1 1 1 1 1 1 1 1 1 1 1 1 1 7403 1 1 1 1 1 C25 H22 O17 33188 23404 25179 26472 29993 25183 25059 14612 34617 24253 19296 21602 10480 18933 26526 28125 40031 36934 36275 37377 31273 22261 29727 31819 31389 131.9994@4.688 67861 49189 68614 1 58922 60803 1 60568 54502 1 1 1 64485 1 1 52693 1 50374 60764 57449 1 65610 1 1 61928 C9 H8 Cl2 N2 O Esi-6.388 40427 88337 89691 91029 85190 82783 91630 1 85905 92007 85325 1 82297 1 82437 85883 83285 1 83147 83553 244739 83809 88270 78836 1 439.0864@0.908 1 1 1 1 1 9777 1 1 8379 1 1 1 1 1 7732 1 1 1 1 1 1 1 1 1 1 15-Keto-protaglandin F2? Esi-8.770997 :1 178124 61473 76452 134251 1 191436 1 166185 76004 28691 1 99066 122286 76593 76217 179885 112594 49301 193936 92389 43541 110043 30985 144837 36286 1232.4102@0.8430001 6826 7010 5739 6941 1 6342 6601 1 7760 6400 1 1 6396 6620 1 1 5695 1 6250 1 1 5716 1 1 1 833.9438@0.854 1 6876 1 1 1 7401 1 9062 5993 8546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1229.0684@0.84700006 1 7160 6492 1 1 7145 6383 6580 1 1 1 1 1 7129 1 8378 1 13393 6167 7111 1 7101 6548 12512 1 C30 H11 N10 O4 25800 24344 27058 20831 23164 64693 24036 24941 23279 26476 1 19803 32957 44913 24790 24046 99977 13480 28731 34108 23831 27368 67497 29417 29990 1117.0895@0.849 1 7906 6341 6085 1 7315 7060 1 1 1 1 1 1 6138 1 1 1 1 5979 1 1 1 1 1 1 1157.078@0.8500001 1 7081 6989 8564 1 5947 6267 6589 6593 1 1 6920 1 7317 1 6628 6340 1 1 7810 1 1 1 1 1 1082.4521@0.84999996 1 6348 1 1 1 7478 6943 1 1 8063 1 1 1 1 1 1 1 7518 1 6705 1 1 1 1 1 326.1924@13.386 1 1 1 15045 1 48259 1 1 38437 1 1 1 1 1 1 1 27664 1 1 1 1 1 1 1 1 531.9113@0.88800013 1 1 12602 1 10253 8636 16614 1 23337 32254 1 1 13361 24622 14101 12790 1 1 21695 1 8522 11140 23117 1 6769 418.2914@11.749 1 1 1 1 1 32266 1 1 16936 1 1 1 1 1 1 1 15421 1 1 1 1 1 1 1 1 > limit Esi-0.849 :1 5985 8721 8422 8090 7903 8652 6997 9863 9433 6654 1 6918 9892 7545 1 7808 1 1 8719 7304 8725 7230 8110 1 9286 855.3081@0.8500001 6315 1 6287 7247 1 7173 1 6340 6586 5999 1 7328 1 1 1 1 6313 1 1 7038 1 1 7525 1 7133 C22 H Cl3 N O20 S2 6238 9830 7604 8197 1 8712 7921 1 8113 1 1 8641 1 8329 10091 6457 7269 9956 1 7877 7265 7040 9143 10013 8192 1234.4174@0.846 1 1 6997 7505 1 6576 6600 6627 1 6102 1 1 1 1 6357 1 7269 8700 6832 1 1 1 5785 9423 1 C41 H39 N21 O2 1 8282 12728 11449 7619 8756 9234 9861 9604 9632 1 10645 9763 9018 11055 1 1 8757 8528 1 9965 8346 9697 10088 10745 1325.732@0.842 7474 7338 5854 1 6455 6406 7134 1 1 7336 1 6736 6613 6958 5930 1 9827 7748 1 1 1 6441 1 8042 1 1093.1095@0.8479999 1 7834 6748 6412 6096 7743 6437 7468 1 6953 1 6033 1 7438 1 7245 6756 1 8186 1 1 7335 1 1 1 1093.1051@0.849 1 7332 7262 6412 7039 8036 6437 8780 1 7754 1 1 1 7881 1 7245 6473 16371 8186 1 1 6655 7993 20193 1 1106.4281@0.85099995 1 1 1 1 7405 7713 7484 8168 1 8007 1 1 1 7345 7335 1 1 1 1 5779 1 1 6624 1 1 751.4482@0.8760001 1 6799 7768 6740 6248 5977 6159 7445 1 1 1 6158 1 5811 6015 5549 5866 1 1 5781 1 5653 1 1 1 > limit Esi-0.8419998 :70 14332 13174 12103 13168 12134 11659 11918 10423 13405 12532 1 10056 11498 11221 11237 13846 11973 10601 12863 11702 10364 10603 12171 9227 9112 L-Glutamate Esi-1.1499997 42155 15236 1 16704 1 16545 14334 20301 10949 14925 1 14456 16015 14988 15535 17524 11357 9296 12227 19379 9910 15534 12024 14660 10825 1041.2452@0.8600001 1 6278 6918 7408 1 7594 1 1 6840 1 1 7379 6644 1 7541 1 1 1 1 1 1 1 7290 1 1 821.4218@0.875 1 1 1 1 1 5512 5509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1272.3865@0.8460001 1 1 6472 1 6869 6749 1 1 6762 6409 1 1 1 1 1 6494 1 1 6303 1 6546 6322 6520 1 6400 1268.4012@0.8430001 6857 6892 1 7062 6519 6832 7132 1 1 1 1 1 1 6880 6903 8504 8090 1 1 6855 1 6509 1 1 1 1157.2802@0.842 6460 6311 1 1 1 6626 1 1 1 1 1 1 1 6789 1 6081 6765 1 1 6168 1 1 1 1 1 861.6361@0.8669999 1 7177 7364 6274 6488 9322 6256 5758 7835 1 1 5919 1 7437 1 1 1 1 8577 1 1 1 8357 1 1 C3 H3 Cl N4 O Esi-13.630998 1 1 1 14502 1 16709 12470 1 50895 15810 1 9220 14538 1 18339 15261 14474 11012 8034 12802 10719 12618 13874 1 13991 C18 H32 O4 Esi-10.315999 :2 361631 1 53906 75552 1 299034 1 111364 59546 1 1 24791 82049 45116 22600 74056 96943 11449 166192 27717 12208 55540 14992 13754 10926 C4 H6 N6 O3 Esi-3.356 :2 21438 23492 28063 44051 23066 27390 25409 20542 24285 24730 1 26302 28273 38353 17818 21142 21575 60236 37225 33714 32652 30009 32843 28907 26727 Esi-0.9829999 :2 42440 26075 29933 45043 29896 26600 27257 27210 1 24820 1 60742 29307 20380 27286 27004 36293 1 26382 36525 24739 30644 22434 1 25839 1079.1068@0.848 1 1 8192 7131 1 6289 1 7264 1 7536 1 1 6176 1 5919 6584 1 1 1 6178 1 1 1 1 1 1180.4135@0.84700006 1 7020 1 1 1 7937 6694 1 1 1 1 1 1 1 7238 1 6850 1 6327 7031 1 6999 6533 1 1 1118.2804@0.8500001 6834 7714 7332 7555 6413 6199 1 1 1 6101 1 1 1 6645 1 6494 1 1 1 6507 1 1 1 6225 6574 230.1881@10.439918 1 145872 144900 1 1 96726 1 136844 1 1 144442 1 1 159902 134442 124711 1 1 1 1 1 42723 77551 146387 52195 776.6865@7.874 1 1 1 1 1 6920 1 1 7203 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1085.1011@0.847 1 7261 1 1 1 6909 1 7400 1 1 1 7194 6551 7269 6422 6523 1 1 1 6799 1 1 8325 1 1 1380.3751@0.8450002 7595 6593 7584 6052 7498 6797 6132 1 6289 1 1 6957 5942 6641 8042 6396 1 1 7268 1 7442 1 6931 1 5674 > limit Esi-0.8419998 :71 10606 10200 8433 7245 9800 9144 9994 7427 7974 9988 1 7184 8534 9309 9187 9792 10299 11854 8160 7531 7861 9250 8112 13784 6918 254.0084@0.99 1 1 1 1 1 5835 1 1 1 1 1 1 1 7144 1 1 1 1 6424 1 1 1 1 1 1 1197.0879@0.85099995 1 1 1 1 1 6439 7149 7585 1 1 1 1 1 6564 6262 6314 7177 1 6692 6942 1 1 1 1 1 665.717@0.871 1 6806 1 10604 1 10674 1 7097 6759 12525 1 1 7979 1 1 8863 8590 1 1 10171 8554 1 1 6939 7466 C18 H36 O3 Esi-12.037429 29129 23118 39894 31466 41776 67519 29191 78303 23163 25814 1 1 1 91437 27241 73986 49806 1 29486 46712 105099 26777 24179 40089 15656 1105.1194@0.84999996 1 6502 1 1 1 6871 1 6583 1 6663 1 1 1 7104 1 1 6415 1 1 1 7407 5919 1 1 1 743.6303@0.86999995 1 5636 6249 5761 1 6532 1 7102 6227 1 1 1 5558 1 5838 5467 1 1 1 1 1 5945 6295 1 1 704.7705@0.879 1 8997 1 1 1 10109 1 7760 1 8025 1 1 1 1 1 1 1 1 8703 1 1 1 1 1 1 Esi-0.86599994 :14 13336 19327 19376 13762 15248 22657 18024 26391 17618 17536 1 14511 19350 21047 15141 20143 17846 7159 23647 12726 11537 18303 14619 7282 16543 344.2348@11.810999 1 1 1 1 1 183811 1 24045 53838 1 1 1 1 17878 1 15622 52281 18466 19658 1 1 1 1 19894 1 242.0897@3.1860006 1 17950 1 1 16755 17035 17030 1 1 1 1 17340 16995 17097 16666 19372 17662 1 18229 16468 18438 18196 16801 1 17215 1215.0802@0.84700006 6573 5915 1 1 7740 7033 1 1 7564 8903 1 6604 7323 6201 6839 6824 6430 1 6768 1 6290 6783 1 1 7087 833.335@0.84099996 1 1 1 1 1 6642 1 6124 7732 1 1 1 1 1 1 1 1 1 1 1 6346 1 6820 1 1 C4 H6 O3 Esi-1.2789998 :1 34752 45282 48924 44941 52687 50870 38832 51083 45988 25272 1 48071 53409 54712 33686 59627 41577 44037 46745 47980 44740 31672 33546 42312 55903 1235.0712@0.84700006 5840 8315 7940 6362 6744 6541 7298 1 1 7571 1 1 1 6805 1 7742 9021 10815 1 1 1 6906 7245 10211 1 83.9615@0.987 1 6955 1 1 1 6701 1 1 1 1 1 1 1 1 1 1 1 1 7311 1 1 1 1 1 1 90.0125@0.963 1 1 1 1 1 65999 1 68229 1 1 1 1 64777 62426 69965 59247 1 60063 1 1 15109 66325 1 1 1 C19 H5 Cl N O13 S 32226 26448 1494641 1475110 1712326 32618 32701 30163 29433 28367 1 27504 25671 1748137 1464029 29976 27397 3149159 27849 1774523 1430657 32358 1235250 25164 26313 524.9179@0.86999995 18138 1 6589 1 8768 16235 6623 1 1 1 1 1 7477 1 1 1 1 10648 1 1 1 1 1 10717 1 1461.6857@0.8450002 1 6072 6682 7322 6328 6274 1 6863 6914 1 1 6821 7150 6296 7327 6077 1 1 5979 6578 7328 1 6082 1 6466 1122.2893@0.842 1 1 1 1 6153 6110 6979 1 1 6913 1 1 1 1 1 7479 1 1 1 1 1 1 1 1 1 > limit Esi-0.84500015 :8 7663 9981 1 8081 8306 8796 8238 8016 7713 10007 1 10081 7455 9924 7910 10699 8834 6910 9906 8050 6528 8761 7875 1 1 1163.0875@0.849 1 7112 1 1 1 6527 1 6156 6674 1 1 7253 1 1 1 1 1 1 1 7086 1 1 1 1 1 Isocitric acid Esi-1.101 14878 38367 275246 418362 10950 25801 486760 39012 642931 644110 1 15195 12700 35360 28943 333080 228364 1 37839 343292 357012 389408 42851 1 23813 C7 H9 Cl N3 O5 S4 68617 83373 71766 69990 77941 73244 79798 71644 64072 78500 1 65806 67991 73788 68120 74744 66817 102537 70874 71471 59083 70460 62779 97133 51440 Esi-0.85200006 9005 9522 8448 9835 9863 10695 9819 7044 9086 9031 1 9598 8998 10119 8006 9636 8640 6810 10265 12176 7754 8683 8315 7621 1 473.6828@0.8739999 1 1 6637 6806 5512 5869 6230 6722 1 5678 1 6314 5817 5537 5742 1 5959 1 1 5792 1 1 1 1 1 C19 H26 N7 O Esi-9.944 43888 1 30264 30929 1 64588 1 34538 26946 10781 1 26754 23625 45049 20980 54715 80470 46372 46694 17715 16387 26016 1 32156 10582 > limit Esi-0.847 :7 7327 6218 8673 7832 7252 7727 7129 7073 6809 7080 1 1 6734 6963 7303 6731 7204 1 6842 7480 6014 7918 1 1 6994 509.9818@0.95100015 12414 12139 10669 14590 8331 9723 10153 11229 13274 11489 1 1 1 8782 9914 1 8481 1 10009 14009 1 1 10484 1 1 C17 H26 O4 Esi-13.352998 38022 40887 95241 222495 38141 388766 208653 148162 465174 144639 19419 67103 95051 41840 135142 101116 299579 107779 118604 33725 36635 77996 62179 31119 34221 346.2497@11.522002 40654 1 36300 12208 1 239182 1 71426 53532 1 1 30622 57261 1 28511 68347 12802 1 11537 7626 13892 39821 1 10232 1 1054.2552@0.858 1 1 6266 7410 1 6185 1 1 1 1 1 1 1 1 1 1 1 1 6537 1 1 1 6755 1 7836 294.2187@11.091 1 10438 1 1 1 57729 1 1 1 1 1 1 1 1 16760 26357 19377 1 1 31933 1 12832 1 1 13291 C19 H21 N7 O18 Esi-11.244001 45763 88533 33662 51086 68753 34105 389274 53561 100692 129951 92751 56381 44585 57777 123704 234589 72117 92881 50812 86035 123733 140489 104623 75845 149163 348.2647@12.069 45074 1 34125 26583 1 22545 1 9147 1 1 1 1 27667 1 1 8538 8207 1 11163 1 1 1 1 15785 1 C22 H16 N5 O S2 45939 38778 28424 37114 57103 47760 34511 56391 36797 50150 26616 42509 47474 51406 26502 34527 34489 60683 41732 68158 38951 32080 20142 29206 41589 839.3262@0.849 5869 7648 1 6631 1 5985 1 1 1 5851 1 5974 1 7855 7342 5834 5933 1 1 5830 1 1 1 1 1 437.8787@0.791 1 1 1 1 1 8259 1 1 6920 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H14 N6 O5 Esi-13.358001 10494 1 14140 23349 1 36099 18740 23380 35839 17320 1 10744 14106 1 19684 16116 27659 13190 17628 9721 1 9648 15691 1 1 559.8416@0.846 1 1 1 1 1 12103 1 5511 1 1 1 1 1 1 1 1 1 1 20711 1 1 1 1 1 1 1079.1089@0.84799993 1 1 8295 6209 1 6568 1 1 1 7021 1 1 1 1 5919 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8409998 :21 9035 8467 10458 8616 8563 8294 8376 7031 9105 8140 1 9153 9475 8419 7483 7970 7282 1 7200 7267 9077 8300 7820 1 1 1159.0923@0.84599996 1 6743 8291 6351 7337 9058 7632 6902 8400 7612 1 1 6980 6261 1 1 7276 6104 6434 7105 7254 7327 1 1 1 C22 H32 O3 Esi-11.382002 :1 216174 41939 219668 48082 1 321184 38621 69175 97815 31149 1 39045 705254 31899 55733 62685 113221 42225 58580 98827 94467 72429 70654 94711 46932 C11 H22 O3 Esi-9.063062 1 211672 1 18044 43656 179200 1 126342 9802 1 25641 125826 173102 57905 1 154675 189261 50638 1 1 1 48435 48808 65549 1 C19 H12 Cl2 N4 S5 20550 34410 27782 22840 26775 32317 31404 32666 32562 35594 1 19041 26666 31747 24370 30056 25098 43657 30650 21257 22488 25364 28265 40756 16830 C4 H9 Cl N O3 S4 21115 22767 37781 36264 29329 29746 24191 43165 51617 28596 1 43750 41340 29671 41612 30398 22294 1 33197 23937 38081 32472 51234 1 68088 > limit Esi-0.8450001 :24 8374 9075 9396 7935 8435 6814 7844 6705 7558 7912 1 7527 7158 8297 8781 7858 7690 1 7018 7624 7600 6956 8432 1 7350 1101.1038@0.849 1 6397 6164 1 1 8491 1 1 1 5853 1 1 1 5784 6057 1 1 1 6051 1 1 1 1 1 1 665.7996@0.883 1 12315 6741 1 1 12775 8073 14143 12479 16854 1 1 1 10665 8321 1 1 1 11685 1 1 1 13983 1 1 1123.0966@0.85 1 1 1 6378 6633 6139 1 1 1 1 1 1 1 1 1 6549 1 1 1 1 1 1 1 1 1 C7 H6 N2 O6 Esi-6.911 110670 109141 138021 107327 123680 114808 109979 129067 94549 126059 124971 124912 23966 13168 320161 104501 56591 97443 138442 96880 224049 94137 128651 68375 91942 1179.2667@0.85 1 1 1 1 6804 6370 1 1 1 1 1 1 1 7563 1 1 1 1 7115 1 1 1 1 1 1 1060.2686@0.8520001 1 1 7983 6405 6857 6358 1 1 1 1 1 1 6461 1 1 1 1 1 7718 1 7189 1 7288 1 1 C18 H36 O3 Esi-12.10696 29126 23118 39911 31406 41776 66145 17113 78303 36097 11682 66544 35019 77497 91437 14003 33899 49880 48834 34978 43831 105099 26979 27763 40102 16003 C12 H10 O5 Esi-0.9799997 21634 23967 25476 5212 5874 14458 26870 12164 15728 22895 1 7953 11889 6153 13528 31526 15216 17437 17805 7427 17255 17761 18264 14742 10118 C30 H34 N6 O29 S Esi-12.164998 :1 52792 13875 39844 13702 44004 20408 51124 35481 17727 19022 9983 17568 16055 15289 35607 65467 19401 18858 19174 23920 48617 52109 17327 1 20846 C14 H24 O9 S 127903 224324 201829 126782 309321 189331 307286 149899 278797 219184 1 140546 203319 302917 286539 772057 122398 390145 192743 217597 665743 433235 250594 249778 309724 317.9733@0.787 1 7607 1 1 1 6059 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0223@12.947 1 1 1 1 1 42081 1 1 1 22009 1 1 1 1 1 1 45389 1 1 1 1 1 1 1 1 696.0941@13.632002 1 1 1 1 1 15345 1 1 1 1 1 9533 8163 1 9976 14132 17740 1 8328 1 17622 1 14119 8962 1 C8 H17 Cl2 N2 1 27735 15201 21307 26009 17637 10035 15836 20504 8288 1 17479 21831 9261 28570 20302 17231 29972 18739 17300 38310 22858 10025 40631 15504 1003.249@0.8719999 1 1 6845 7545 1 5896 5959 1 1 1 1 7891 1 1 1 1 1 1 7169 1 1 1 1 1 1 535.9317@13.348 1 1 1 1 1 18824 1 1 19149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C4 H8 N3 O2 S Esi-1.2649997 :1 21349 34918 45374 31385 20213 31641 28139 35947 22329 24430 1 19632 28390 22292 28906 32003 31341 16331 32614 25612 29446 20312 37695 18155 25103 Isocitric acid Esi-1.015 8801 38345 37513 1 10934 30361 1 39012 1 35991 1 20136 12661 16800 28953 39416 1 35963 39063 1 23040 33897 42777 32950 23813 326.1916@13.386 1 1 1 15021 1 47325 1 10197 38437 1 1 1 1 1 1 1 27695 1 1 1 1 1 1 1 1 C28 H25 Cl3 N18 O12 18982 11231 18127 21232 19555 30236 19645 50616 29621 21230 19897 21598 24706 20883 41706 20146 28575 22148 15232 27383 21332 23107 18101 18416 21444 C12 H20 Cl2 N4 O5 S2 18563 25993 20089 14827 19398 29904 23195 24610 33740 33549 1 1 21810 35455 24519 25132 18235 1 24191 14903 24761 22135 23759 1 20518 C6 H12 O3 Esi-5.1750007 :1 1 1 10795 10261 8677 16619 8734 11776 8161 20901 1 10625 1 10083 16993 10342 10248 13385 6726 1 12764 13288 24247 12300 11244 C16 H4 N2 S2 Esi-0.79 14744 30958 21401 17929 18679 22325 20987 21638 25475 24042 1 14366 21637 27217 5827 13037 17893 1 24249 14116 16638 20363 22782 1 14440 132.0786@4.221312 85142 129449 112215 1 92767 13074 1 76772 75845 36706 118762 1 158912 1 1 93736 24936 1 98911 1 17178 1 1 129305 132657 C32 H22 N15 O17 32937 21412 48714 24615 23813 40985 32084 21570 10736 23964 29315 33579 13805 25486 22156 25372 40664 35756 39312 20544 41278 22583 33535 36957 29194 Esi-0.9969998 :5 61291 30939 41719 75737 45494 25034 40545 26890 14087 26306 1 54722 31901 15622 27529 24577 52136 77722 27627 84835 30372 34104 26581 67599 32350 958.9764@2.6235 1 1 1 1 1 54337 10801 1 10291 10576 10931 1 1 29767 1 1 1 1 1 1 8510 1 1 66864 1 > limit Esi-0.846 :12 6252 8704 10957 8609 7985 9000 6826 11034 9454 7191 1 9676 10631 7518 9288 7259 6463 1 8671 7536 1 9894 11663 1 1 145.9983@13.66 1 1 1 1 1 15169 1 1 15399 1 1 1 1 1 1 1 14878 1 1 1 1 1 1 1 1 208.0959@12.946 7146 1 17390 13121 8885 76242 21522 12211 21176 10157 1 10950 17472 1 14402 7099 10325 1 21265 1 1 1 1 1 1 1204.4275@0.842 1 7487 6461 1 6860 7577 6159 1 1 7765 1 1 1 6687 1 1 6565 1 1 7132 6983 1 1 1 1 Succinic acid Esi-1.7749999 :1 18402 33817 48081 38278 1 29755 12901 20937 19871 1 1 19880 41359 22955 28180 29465 31636 20832 39086 18848 1 33218 18717 1 26558 1112.4176@0.8488 1 1 1 1 1 6956 6069 7612 8306 6219 1 1 7875 1 1 6107 1 1 1 5943 1 1 6269 1 6960 1202.4167@0.846 1 6598 1 6019 1 7086 1 1 1 1 1 1 7219 1 1 1 1 1 6451 1 1 1 1 1 1 > limit Esi-0.84300023 :12 7530 7479 7971 7884 8851 9382 7117 6434 6774 6778 1 7310 7943 7352 8724 9132 8860 1 7426 5930 8525 6090 8028 1 1 C28 H20 N11 O21 24282 26970 20646 22746 30977 52143 24994 25664 37721 24490 23776 33907 20511 38158 25823 34761 48307 32011 26816 25068 23675 24793 27820 77767 23107 973.5976@0.872 1 1 1 1 1 6447 1 7198 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 707.4673@0.87600017 1 1 7622 9634 1 6011 7331 7073 6072 1 1 9907 1 7072 7002 6505 5536 7157 5965 6360 1 1 5780 7564 6427 C41 H22 Cl3 N2 O4 S 22445 38315 39820 43457 49712 12221 37513 39149 35654 33236 38665 39394 29404 47873 45909 43704 47313 43838 43639 44083 28072 32692 50449 47474 40963 741.7009@0.88600004 1 6842 1 9412 1 9923 1 7938 1 6740 1 1 1 1 1 1 1 1 8623 8113 1 1 10327 1 1 C6 H12 O3 Esi-5.174905 1 1 10569 10261 8668 16619 7286 11795 13425 21116 1 10584 1 10627 17286 10342 9290 12723 6749 20562 12560 12650 22563 11849 23812 C4 H6 N O S2 Esi-1.2409997 :1 17126 58756 71556 56665 40559 45053 49375 24888 49455 48513 1 49615 67092 11425 60974 64952 77619 45413 62286 54996 77538 75795 82490 50167 59470 166.0627@5.5019994 1 41102 1 18308 1 29701 7394 1 17014 1 1 1 1 22693 1 14201 1 21266 1 8267 13834 9230 10870 1 13213 326.1919@13.386999 1 1 1 19763 1 11466 17709 11293 10697 1 1 18463 1 1 9965 1 32269 14778 18101 1 1 13079 1 1 1 C20 H3 Cl3 N6 O S2 11841 1 14861 15189 1 22134 19481 13570 26327 1 1 10493 13928 1 13310 14081 20566 15853 1 1 1 1 15452 1 1 Hypoxanthine Esi-1.2309995 35193 14586 43311 20958 20506 22281 35149 27472 31207 18109 1 24810 39122 22087 30859 23760 11948 71002 15670 12458 38634 28731 55306 107181 12219 C10 H2 N Esi-0.9589998 :1 24201 29929 29949 29610 27818 31694 24744 38018 10080 31951 1 31405 26795 32411 30368 26313 17059 16675 40772 27964 23290 26281 31751 16944 30179 C20 H32 O4 Esi-9.921001 :2 165942 40534 166777 179376 1 343805 9190 231081 146338 42145 1 118443 132906 203001 100725 235590 310417 267524 218414 72130 80810 134123 37670 167955 51970 821.4237@0.875 1 1 1 5440 1 5512 5509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260.3907@0.8460001 7267 1 6859 1 7232 7404 1 1 1 1 1 6026 1 6938 7177 6046 1 1 7010 1 1 1 6558 1 8540 C15 H7 Cl3 N2 O10 S 154337 191920 152082 142444 145199 161485 172833 135428 118342 169281 1 131288 127101 164073 135734 156850 161189 289808 152135 154891 117594 139955 113594 283276 87421 > limit Esi-0.846 :13 6746 9245 7240 8495 7658 7193 8743 7115 6466 8331 1 6815 7879 7536 6085 8383 9735 1 7199 7448 7924 6871 7777 1 1 Esi-0.87 5953 6037 8472 7362 5563 5480 6445 6866 8341 7584 1 6026 6238 5756 7373 6126 1 1 5593 6047 7036 6877 6561 1 8433 334.102@12.988 1 1 1 1 1 14572 27842 1 9598 1 1 1 1 1 1 1 12324 1 1 1 1 1 1 1 1 C5 H7 N2 O2 S Esi-1.2322916 15304 16129 27017 45971 19003 18622 24728 18156 34133 35114 1 33224 45878 36400 15738 17709 19618 26768 44917 15103 24026 23954 40608 32568 45283 C7 H2 Cl2 N O6 S 199795 259956 227523 222313 208540 235962 233635 233228 191014 232421 1 213552 201306 222144 204784 215270 208235 266659 219271 209932 179307 195945 193505 259094 161529 C28 H45 N6 O9 Esi-11.4400015 :1 16943 12901 1 16107 1 186256 19852 34896 43782 10380 1 1 14445 1 17297 17628 31714 18706 15551 15045 17355 14356 1 1 1 C31 H23 N3 O24 13130 58804 10659 23997 22556 58693 47484 25723 52298 91854 49042 69492 9704 78433 74761 56409 102340 52964 86455 8612 21075 68697 41226 8923 136258 C9 H18 O3 Esi-7.413471 76383 1 146998 72566 13086 43681 1 77322 209655 60105 245652 57328 219190 243925 195633 205960 186768 229369 1 1 35484 1 222532 1 73117 C8 H5 Cl O13 S 199345 240700 210622 203849 205512 216541 227224 206650 185826 231248 1 188483 188448 219285 187783 206686 204691 290614 200486 206368 179096 204884 182362 293786 150031 C18 H34 O3 Esi-11.5859995 17506 1 48042 24294 1 72848 1 32367 29575 1 1 33786 36080 1 24561 34496 39054 23831 39220 1 35141 40284 1 23291 1 C19 H28 N6 O3 Esi-11.684002 46742 7223 22091 8345 1 24436 1 11827 18037 6615 1 10895 23035 21897 8627 10097 11516 19208 13707 6278 7290 27401 1 6230 1 322.2506@12.221 1 1 14927 38424 1 82305 1 19710 1 1 1 1 1 1 1 1 16152 10012 7055 1 1 1 1 1 1 C8 H6 S Esi-1.0960001 33410 32209 38454 46046 29187 37378 24583 38134 33061 26906 1 23398 27465 27606 46148 37539 41132 88338 37806 27859 24691 28601 31110 90594 27288 1145.2893@0.848 1 7531 6520 1 1 6841 6780 1 1 1 1 1 1 7410 1 6857 7159 1 6465 6867 1 1 1 1 1 Esi-0.79100007 :1 1 18541 7283 10100 6580 13035 6435 12813 11571 6993 1 10801 12851 15679 17046 14708 14656 1 16695 9832 10057 9745 16566 1 13433 188.03@1.1380002 40561 1 1 11971 1 26206 1 19495 1 1 1 1 11641 13564 16731 30093 20216 1 20074 12657 1 15433 1 1 24042 C24 H7 Cl3 N4 O4 S5 61752 62188 71638 72764 59125 68145 59638 75212 75291 58655 1 71474 71878 60800 71506 61152 51293 10132 68942 61154 68223 59510 82117 12361 81334 164.0676@1.0290002 24947 14755 1 1 10618 11905 1 1 1 1 1 1 10707 1 10247 13716 1 13426 1 1 16155 1 1 13816 9694 C44 H14 N10 O11 60327 25019 42900 17873 29308 88361 52967 17729 48949 37685 69382 27622 33484 30160 33310 27487 45907 35829 30205 69002 69150 37508 39738 34520 49160 913.6344@0.866 1 1 6864 1 1 6711 1 6125 6086 5673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H25 Cl3 N6 O8 S3 19734 17954 17871 16556 21311 16979 17908 18330 18426 17705 1 35128 19493 15060 15186 21998 22978 1 28376 20783 26002 23838 20550 1 28578 1118.4327@0.8506999 1 1 6775 1 1 6927 6177 6526 6137 1 1 1 1 6619 1 6938 1 1 8131 1 1 1 1 8605 6755 958.976@2.546 1 1 1 1 1 47342 1 77980 19353 1 20590 1 1 68718 1 1 1 1 1 1 1 52699 1 86167 1 703.1187@11.419 1 1 1 1 1 27317 17560 1 17660 1 1 1 1 1 1 1 1 1 18680 14809 21107 1 1 1 1 C9 H30 N9 S 124491 1 45022 43889 1 94590 1 52426 22235 1 1 20793 65305 14890 14762 35556 30714 18801 46671 17386 10602 29005 1 28131 11332 C14 H6 N4 O3 20778 9254 10649 6824 9799 15393 16862 12006 14828 1 1 9197 14864 14354 11875 26085 1 1 1 11261 16294 14135 9815 1 10153 60.021@1.2590001 12865 1 14389 1 1 18729 19131 19589 7558 14170 1 1 1 10261 1 1 10829 17283 12696 11173 1 23352 16344 16375 12991 C8 H14 N O5 S5 75706 134757 100651 90073 85278 117494 103769 101289 103266 109972 1 78354 102792 107412 112946 77198 86507 27306 107901 79602 77869 94437 97903 34524 73281 C19 H26 N7 Esi-9.666 :2 201216 15391 1 17939 1 69778 1 74489 1 1 1 1 59133 1 22443 94234 1 15163 108770 1 27562 63059 1 67099 1 C31 H22 N14 O18 S 17189 17464 18853 16539 34371 60593 21941 21223 39635 21038 19535 30483 49314 20798 65139 36396 29415 25323 19883 45216 19572 28083 18563 24142 20496 348.2663@12.068 38070 1 28805 30203 1 16402 1 14738 1 1 1 1 22411 1 1 19880 11144 1 1 1 1 1 1 15102 1 C18 H32 O4 Esi-11.395998 :3 50751 15744 10789 65392 1 8093 13980 31539 51642 21137 1 23365 18566 24208 21447 27776 69987 11296 26344 34601 19551 18744 1 6861 1 C25 H7 Cl N2 O6 S4 13284 26913 19799 17853 14648 31358 20897 30651 17066 38194 1 11103 22532 36250 18009 31387 25977 1 19363 27635 18891 19617 19865 24339 13301 C16 H31 N3 O S2 8642 1 13813 25470 1 25154 20769 15498 38506 14267 1 1 15256 1 21778 14758 29135 15077 14517 1 1 11716 1 1 1 362.2449@9.819 164852 1 62608 1 1 96289 1 77706 1 1 1 1 114726 1 29440 1 37369 1 69000 1 34208 32819 1 74872 1 827.6877@0.875 1 9071 8375 1 1 9930 7084 6820 6350 8637 1 1 7164 8022 1 1 1 1 1 1 1 1 6115 1 1 318.2187@11.0014 62982 1 63401 24594 1 100940 1 23771 21440 1 1 12692 224018 24037 1 29768 21356 1 53617 16302 43221 1 1 20832 1 160.1099@5.56 106439 1 1 1 1 7902 1 1 1 1 1 1 1 1 1 1 1 1 13751 1 1 1 1 1 1 131.999@4.709 1 49177 65126 53950 58824 60435 1 60905 56314 57206 1 1 64341 1 1 1 1 64003 60955 57245 1 65610 1 1 61928 610.1163@11.367999 1 1 1 1 1 49016 18802 16888 39273 1 30370 1 24913 1 15852 88825 44673 1 29804 1 16227 31190 1 1 1 C42 H4 O6 S3 15287 1 24073 8605 1 266841 89751 36799 128037 32972 1 38016 15186 1 26299 12027 111918 35050 26974 54521 1 31719 35207 33978 1 C27 H32 Cl3 N4 O29 32619 42929 52608 1 1 23589 17144 46740 55530 38032 1 48940 44049 58442 53556 38055 40375 1 39644 33749 42471 38826 27057 58998 24612 C22 H40 N7 O3 Esi-13.3569975 26031 33558 1 1 25941 141205 101173 86511 220742 1 17066 37493 1 34943 1 57388 1 77227 92239 26847 28337 55542 53904 28463 31958 450.3682@13.395 1 1 1 1 1 139237 1 1 118854 1 1 1 1 1 17059 1 70376 1 1 1 1 1 1 1 1 565.8457@0.8660001 11566 11787 1 1 1 14496 1 18457 13630 12478 1 1 10828 13369 13425 1 1 1 12093 1 1 6968 14164 1 1 C19 H28 N7 Esi-8.895998 :1 84541 1 37687 58102 1 172230 1 139941 41341 1 1 33661 78758 45676 40435 55466 44939 40818 94137 16917 1 68392 1 53351 24718 C4 H6 O3 Esi-0.9290002 :1 41012 53190 48774 44397 63648 50115 56358 46459 50737 40722 1 45560 47401 55155 61048 104785 19388 56394 34695 45983 66686 35705 32974 49199 51117 C13 H29 Cl N O2 S 36756 42228 33131 41967 37706 36989 37020 41508 43129 35478 35355 34324 23930 31359 34999 37737 40389 43009 42474 44038 40870 31040 46509 36199 35240 Esi-0.8649999 :2 9307 1 10508 10353 7393 9455 9252 12357 7306 9756 1 8572 10526 1 8952 9263 1 1 9370 8711 6820 7479 12807 1 9314 1066.7893@0.8389998 6201 6485 1 1 6918 5798 1 1 1 5938 1 1 1 7606 1 5739 7342 29402 6620 7415 1 1 1 31531 1 C5 H12 N2 O2 Esi-0.9220002 45313 54202 11320 46423 36520 34985 53114 40715 45454 40150 1 30500 37219 37621 30155 28761 27402 38156 31331 39531 24995 34340 37076 38943 43060 Adenosine Esi-3.1999998 27810 40360 33750 36345 42114 39023 39186 34715 41768 40032 1 34491 41969 43458 40967 39793 43294 51608 41998 48507 45594 42281 50819 39666 49066 C11 H2 N4 Esi-1.0130002 :1 21709 16307 31296 31032 1 34267 10739 26254 23913 15831 1 8708 22637 30555 21481 20187 14856 1 26362 12890 9038 20248 36134 1 16516 C19 H28 N6 O4 Esi-9.5859995 46039 1 21185 28440 1 31427 1 39379 19633 1 1 21473 31261 13967 17489 31120 26028 15273 33426 20142 21122 18849 1 32105 1 362.2442@9.895002 34479 1 16037 45697 1 18059 1 15769 1 1 1 32338 26640 1 29440 50689 37947 1 11491 44446 34208 32819 1 16935 1 172.1101@7.632 16910 1 1 1 1 43661 1 20739 1 1 1 1 23730 1 1 20828 48571 1 1 1 1 1 1 1 1 C17 H26 O4 Esi-13.627003 :2 19806 15563 17264 108411 22843 149090 105149 96275 170514 94556 1 83350 42357 18010 89718 119868 146390 64189 70520 52448 45981 66025 81038 24819 51764 C23 H34 O6 8497 1 11369 12983 1 22322 1 17977 10234 1 1 9007 22958 15238 8079 16072 21346 59494 16838 1 1 8741 1 12686 1 C25 H55 Cl N15 O11 S2 1 10389 17099 14038 10416 11925 10877 19102 17394 9789 1 16590 15218 10340 11807 14452 7359 1 16955 12671 14503 15615 15790 1 11989 376.225@7.87 1 1 1 1 1 61654 1 1 1 1 1 1 1 1 1 1 34362 1 1 1 1 1 1 1 1 981.0205@2.698 1 1 1 1 1 18643 17144 1 9132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27793 1 888.1331@11.884001 1 1 1 14678 1 22581 1 15579 16053 1 1 13855 1 1 1 1 15352 14198 11700 1 14555 15333 1 1 1 C9 H16 O3 Esi-7.2259984 20709 129042 32858 43822 1 75785 1 26298 48100 128084 1 118051 40890 30785 21758 21255 47247 83876 42593 101218 43345 28441 85350 12606 26292 C5 H12 O2 S2 23599 47996 1 35772 16340 12919 1 32021 1 23056 1 53681 25166 39957 39983 13976 1 21899 21906 1 30328 55767 39751 18359 1 C20 H30 O3 Esi-11.556 :1 92795 9184 59741 20217 1 91232 1 42468 17118 1 1 19994 85339 10174 22711 53412 10122 7529 43938 22941 1 18858 1 10856 8868 958.9752@2.9035 1 1 1 1 1 20584 1 1 21097 1 1 1 1 60917 1 1 1 1 1 1 1 1 1 51523 1 368.2191@8.425001 1 1 11445 41336 1 20659 1 15685 1 1 1 1 1 1 1 1 17323 14949 14429 31920 1 20094 1 20025 1 C18 H30 N3 O5 Esi-8.07206 1 20483 1 150054 1 76733 1 72749 70580 38840 1 64272 42202 11990 60801 55092 77413 117555 71640 26300 1 55844 1 56196 1 557.3319@8.550001 1 16757 1 20343 15985 18141 15112 1 1 1 1 1 1 1 13240 1 1 27575 1 36642 1 16422 17326 13532 1 338.2427@9.641999 52150 1 24403 1 1 26121 1 43613 1 1 1 1 32276 1 1 21867 1 9110 22237 1 1 1 1 25368 1 334.2141@9.467 17868 1 55817 11614 1 69556 1 13400 33687 1 1 10971 42335 46076 1 23039 16293 34588 44561 8431 27698 9546 1 29685 1 C20 H32 O3 Esi-11.756 :1 618414 98310 725362 134295 16963 1979080 65127 428177 359460 116147 1 158674 484370 349990 143406 473312 1006254 279695 530290 125650 232832 237234 86482 284526 107840 785.7084@0.8719998 1 8670 8171 5994 7098 11098 9299 14256 10386 9235 1 7536 9964 10616 1 1 1 1 10976 1 1 1 13248 1 6416 C8 H13 Cl2 N O4 12086 12973 1 9302 12589 13947 1 9840 15274 11700 1 12003 13986 11070 12267 12065 15684 1 22028 10735 1 12882 16181 1 24252 621.327@7.916 1 1 22836 23518 1 30910 1 45848 32244 1 1 12941 1 28747 1 23962 47537 42473 31297 1 1 1 1 12456 1 Esi-1.1359999 1 81397 66221 136447 47123 1 104350 1 59001 65312 1 44407 34032 25095 1 12453 7403 1542968 1 149501 39561 54003 105793 1011190 77949 146.0691@0.89999986 1 411918 1 88263 917656 1 556101 1 13571 236393 1 79488 1 1 27590 8542 31597 63759 1 600200 263654 67549 204716 40055 12306 967.0076@4.6819997 155721 114896 1 625822 1 1 1 1 241733 1 1 1649095 1 1 51472 89992 201280 1 1 1 1 1 1 1 102266 967.008@4.11 1 429182 109157 157993 128798 1 1 1 1 271786 1 1 1 1 89700 1 1 1 1 1 1 1 1 1 1 967.0078@8.941 1 1 53633 133771 70592 1 1 1 312773 2344404 639071 1 516818 67797 100946 1 974312 136980 106109 1 428085 1 1 1 77879 181.8855@1.1369998 1 41587 30240 73179 25459 1 56116 1 30728 36516 1 22696 17050 13778 1 7193 1 825784 1 74812 21294 26805 53528 548582 37872 967.0076@13.632003 53713 1 877937 149882 812735 1 1 1 1 255033 1 1 1 1 87883 1 1 1 381178 1 266097 1 918438 158032 306862 202.0296@6.195 38844 24831 1 10113 1 1 9220 1 291477 45087 1 1 16819 651812 1 1 114264 1 1 1 1 1 1 1 14074 806.9915@3.0592003 1 28594 1 31681 69245 1 82789 1 1 1 20985 1 1 199810 395059 1 1 1 1 1 1 1 2086766 367460 15795 806.9922@14.36 1 55380 111352 46078 1 1 1 35821 1 24585 1 1 1 1 1 1 117945 1 1 1 1 1 1 468545 1 806.9923@2.9414284 40207 35910 15383 38513 98599 1 44255 1 1 1 25245 1 1 446346 74461 15069 25493 1 126532 1068304 1 1 1 372161 1 C4 H8 O3 Esi-2.1329997 149042 1 355408 779514 437202 1 545159 182844 481163 523231 1 478293 290629 507406 215958 430111 944527 1294661 409916 1 320674 365578 494098 222154 1 806.9918@14.263 1 59114 58576 33384 34924 1 37303 1 1 1 1 1 1 1 10631 1 89496 1 1 1 1 1 1 794395 1 Esi-1.163 24951 24755 26637 15714 43001 1 29082 10723 38289 34371 1 36620 40431 53402 32759 42513 45477 160847 31111 42925 65186 65917 65208 251036 60174 147.9729@11.558 64572 1 1 382225 1 1 1 93286 123221 1 1 1 86886 1 70687 1 342723 1 1 1 1 1 396115 1 1 465.3076@8.029 1 11664 15449 414220 1 1 1 66006 1 1 1 1 49593 20360 1 41917 1 10249 16174 31508 1 16216 1 1 109554 517.297@9.054 1 1 7945 406886 1 1 1 10010 1 1 1 1 11354 14215 1 1 1 1 1 1 1 8814 1 1 11402 979.9851@8.258556 13462 1 1 277032 1 1 18746 11185 13564 1 105878 27865 21645 1 1 1 405478 1 1 1 1 1 1 1 1 584.262@13.691 1 21371 1 324202 26531 1 79179 1 386348 22017 1 1 1 1 45364 1 1 37125 1 1 22021 1 28639 1 35578 314.0668@1.2322001 1 1 79197 50822 1 1 1 8741 1 88542 1 1 1 1 1 21860 49361 1 1 1 34858 94326 53447 1 44236 C3 H4 N6 O3 Esi-2.1119998 140812 144948 243611 241675 275881 1 280105 1 185228 210090 1 156485 94256 191365 119800 184065 269210 355973 310422 59699 1 213004 375396 95923 148617 529.2701@7.666 12418 10371 15952 294435 1 1 1 1 1 10368 1 7817 15994 16310 1 1 1 10357 8783 46316 1 1 11532 1 51210 967.0078@15.479002 173773 1 1 54617 1 1 1 1 1 1 251033 915156 1 121009 31137 1 1 126175 1 1 1 1 1 1 1 139.9476@1.1330001 1 61677 23715 170055 10033 1 74997 1 18042 37273 1 10872 1 1 1 1 1 268559 1 74082 1 8471 33433 68123 22209 Esi-1.1620002 22879 22223 25383 11756 38430 1 19979 1 34445 29990 1 36877 32537 45015 26313 33842 37347 94771 23527 37721 57861 54603 53699 225960 49957 449.3134@8.071 1 10373 1 237670 1 1 1 13331 1 1 1 7729 30198 1 1 6853 1 10161 1 8156 1 1 1 1 45895 217.9415@2.914 1 1 145299 127108 1 1 45429 1 1 32951 1 23663 46655 47936 54870 36432 82739 1 1 100063 1 65580 10002 485218 1 230.8678@1.131 1 25072 8171 160059 1 1 28608 1 1 1 1 1 1 1 1 1 1 202277 1 17078 1 1 1 17125 1 156.8808@1.2919999 1 26286 26637 39014 1 1 18578 1 1 1 413029 1 1 1 1 1 1 360746 1 19733 1 1 1 170152 1 967.0082@2.9401429 1 1 1 89338 1 1 935151 1 1168037 1 395236 1 1 5252783 1 1 1 1 119751 1 1 1 1 1825514 1 58.9826@13.177001 1 1 1 507526 1 1 1 1 1 41196 1 1 1 1 267577 1 31419 1 358111 488407 1 1 1 390550 351798 312.2291@11.058 1 19571 18595 172855 42505 1 20808 1 35352 37421 1 14973 1 24997 25812 21829 59910 22349 26288 49821 13748 1 34385 1 1 156.8809@4.583 1 16488 1 105102 1 1 61521 78945 1 24391 1857193 48247 78906 1 1 29490 1 1 1 15657 168058 40462 1 1 75786 806.9921@10.401 1 158323 28767 38504 1 1 1 84989 1 1 1 1 65029 1 1 1 44015 1 63811 19475 1 74357 1 93196 1 806.9921@10.746001 1 1 1 35786 26291 1 894729 1 221481 109098 1 27226 65829 36106 1 1 92272 79412 1 34610 65670 115294 144963 49044 37385 219.9393@2.9160001 86463 62018 1 90503 67094 1 78619 57085 1 1 1 1 1 1 49029 27414 1 1 1 90467 1 1 1 310876 1 200.8882@17.865332 127503 1 1 103764 18222 1 1 122509 83212 63020 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Esi-1.1329999 26391 99935 62949 146834 56264 1 102994 8405 61842 72413 1 50367 38268 42560 23231 38453 19905 205383 30830 129527 64108 52484 96688 94072 83728 347.1839@7.872001 1 1 1 16981 1 1 1 19825 39883 20708 1 28149 7743 26786 22699 1 1 119947 8414 1 1 25606 13828 29398 9764 334.2142@10.496 1 1 1 121364 1 1 1 1 1 1 1 1 1 1 56408 1 1 1 1 38347 1 1 1 1 1 C33 H12 N10 O27 Esi-1.1369997 20766 78457 64798 102959 56041 1 68311 1 56548 61760 1 51069 46621 57062 27302 36667 43915 90040 22641 80166 49881 49111 70261 79545 74530 Esi-1.163 :1 24951 24802 26637 15719 43001 1 29082 10723 38589 32944 1 36620 43351 53556 28446 38647 45477 160847 31111 42925 62313 64564 65208 251036 60266 104.0472@3.411 12516 1 1 7915 1 1 1 1 1 1 114350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H30 O3 Esi-10.701002 99449 18317 94411 38002 1 1 16189 36080 16977 17438 1 23426 80853 35340 48750 21277 37492 18862 54871 44816 21190 51332 1 60393 30451 230.0761@2.111 1 1 21819 18880 28946 1 24200 1 17331 24169 1 20672 1 16923 21227 1 93844 124909 36407 1 1 1 31663 1 1 C3 H2 N3 O S3 Esi-1.323 1 114429 7474 15423 1 1 42469 1 35466 1 1 12078 78729 22216 39697 1 39418 171117 14225 24047 16822 26809 58010 175099 28684 202.0459@1.545 1 8720 15441 17077 1 1 1 10444 1 1 1 1 9166 1 11373 17074 29287 1 10139 12290 20709 19208 20425 1 7732 Esi-1.1580002 19473 22223 25383 11739 38430 1 9072 1 36628 29990 28604 37089 32406 44962 26313 33842 37347 91944 23511 37721 57895 54608 53699 225960 49957 C11 H20 N2 O5 1 93117 15006 26999 19126 1 54536 50585 43988 69230 1 34555 14028 45062 24138 26695 30577 52809 18039 24737 41837 52538 90390 55941 52240 625.3457@7.766999 24878 14134 14404 48065 7600 1 1 1 24659 47974 1 6766 1 23299 1 1 8153 36871 1 133269 1 1 39335 10819 11480 708.0934@11.923998 42161 65381 74171 79962 43155 1 96046 1 1 82697 65687 1 1 1 45614 1 108883 97156 1 1 79482 66349 73981 65248 137165 C20 H42 O4 S Esi-13.627002 1 14168 8563 35418 10188 1 33286 35848 45884 31323 1 37672 15749 12294 27796 43818 51682 29427 31648 23226 32764 23821 32801 11819 21282 C6 H9 N3 O 31945 38633 108906 82865 75473 1 132826 81816 538321 99664 1 21527 98633 119129 39340 77565 1086993 68195 32323 86883 212771 53507 36962 99590 148642 225.0684@13.548998 1 1 1 43577 1 1 1 32935 32578 1 1 1 1 35335 34602 1 37496 42333 1 1 1 1 1 1 1 C29 H15 N5 O14 38721 50018 93991 74860 57547 1 137483 35168 88210 53647 114151 98615 23200 112407 27307 22472 10109 95260 29308 46858 52296 34696 39121 50183 46353 967.0082@13.645998 1 1 914654 66315 836325 1 1 1 1 1 1 1 1 1 1 824545 1 1 1 1 1 1 245183 149011 308447 1165.7218@0.83799994 9296 12200 1 6722 1 1 9551 10844 1 12545 1 1 1 1 1 13530 15482 60609 1 13849 1 1 1 63229 1 143.9605@13.15 1 1 1 43275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H23 N O21 Esi-11.800998 34559 75090 37578 92727 63759 1 31153 37453 68776 73480 92559 38433 74088 26266 75518 97124 67184 36545 84565 40593 29589 42296 88246 52572 58677 806.9933@10.572999 223007 176842 1 17676 62612 1 1 1 41970 1 1 1 1 1 89356 23526 44015 1 1 1 62191 176102 84674 149645 33028 979.9852@13.55546 40126 1 1 30717 1 1 1 1 22456 31544 1 1 77377 63574 55586 31975 1 1 99259 21588 22283 1 103368 1 89538 Esi-0.984 12521 16235 19694 47743 22904 1 18675 13388 1 11077 1 85245 14998 1 16237 9874 27883 54428 13890 49450 12346 15258 1 40593 9648 396.198@8.492 1 10602 1 15555 1 1 1 1 17114 9687 1 1 1 1 60352 1 1 15361 1 1 1 1 8597 1 1 205.074@7.591 1 1 1 74458 1 1 1 1 11680 1 1 1 1 1 1 1 9370 12198 1 1 1 1 1 1 1 225.0684@13.278 54771 1 1 19316 1 1 37041 45639 58796 1 27132 36436 1 1 81516 45850 53422 1 51690 1 37735 1 1 1 1 C21 H N O15 S 20059 19921 22863 27909 13483 1 15419 18331 26883 11917 1 30033 25834 98265 18728 20371 35773 16726 14456 12560 18130 25189 26252 18507 28061 C3 H2 N3 O S3 Esi-1.323 :1 1 114429 7369 15423 1 1 42469 1 34997 1 1 12039 77713 22216 39697 1 39418 171117 14225 24047 16801 7016 35616 175099 28684 166.0488@3.19 95020 78231 27970 31443 1 1 34597 20468 1 1 1 27999 1 1 1 20751 28005 1 25602 56563 1 28186 1 1 40169 370.2355@7.807999 1 22503 108010 77264 1 1 1 1 1 67140 1 78916 104578 1 62448 173058 1 100254 1 46321 61660 55714 1 64140 27870 110.0482@13.395002 1 1 1 95207 1 1 1 1 17678 1 45810 1 9423 1 19574 1 16094 1 1 1 1 1 1 1 25034 258.0625@0.9379999 22638 1 1 21412 16123 1 13840 1 1 13028 1 18380 14319 18038 1 1 1 58816 1 39613 17626 19112 14145 66668 31066 699.1064@13.553 1 1 1 9457 1 1 22109 1 1 25583 1 31846 1 1 32962 1 33948 1 1 1 1 15476 1 23682 21533 310.1086@7.0019994 59496 1 1 10241 1 1 1 8422 12308 1 1 10029 1 1 11232 1 1 1 1 1 1 1 10451 1 9215 979.9851@15.541 368056 1 1 32556 1 1 1 1 23390 1 16081 55616 1 102031 1 1 1 284571 1 154873 48194 1 165379 1 1 C18 H30 O3 Esi-10.701998 167657 18196 94411 32969 1 1 16189 36080 16454 17438 1 23212 67279 38382 47597 23691 37146 18790 38599 44816 20917 51332 1 48257 30451 214.0223@11.653 18431 1 32649 19727 1 1 13530 36326 45658 1 1 25098 23889 1 18128 24806 30938 25801 31754 1 1 22970 1 1 15978 127.9116@13.511001 19443 33825 1 17017 1 1 1 1 11806 1 31507 24092 36637 1 1 1 13952 32126 1 1 16826 19767 1 25002 1 143.9205@17.785334 106325 1 1 142036 16188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 558.1044@12.948999 1 8802 32247 25522 11399 1 1 1 1 1 1 1 1 1 10825 28060 32982 42086 1 1 1 32207 16526 6632 1 492.367@12.824 1 1 8350 44082 1 1 1 1 1 1 1 1 39360 1 1 1 72200 1 1 1 1 1 1 1 1 Esi-0.84900004 12674 17669 27752 26004 20731 1 1 29887 30845 20128 1 32375 29640 11262 27537 1 17446 1 20448 18675 27838 22833 34238 1 46515 205.0737@7.334 1 1 1 43577 1 1 1 1 10034 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6735 229.0809@13.873999 1 1 1 112270 1 1 110101 1 110736 105910 30794 1 1 1 43637 1 84361 72340 119876 1 1 1 82425 1 1 293.0955@1.2309996 1 27874 56622 67577 14414 1 15843 36619 1 1 1 1 27263 60361 19495 13291 42513 17559 60896 45953 11086 59215 73461 14842 58759 311.8452@8.176001 1 20934 21195 33973 1 1 52694 1 24358 1 1 1 20652 18386 19517 1 26295 13711 16403 1 1 15809 26395 18490 22310 C11 H10 N4 O10 7989 19297 1 14501 28552 1 48024 12918 37690 8407 1 33455 1 14010 17867 1 1 11798 10238 42124 13502 28824 20918 16822 28904 402.9317@12.948 1 61267 25450 17619 1 1 1 28081 28064 9588 1 1 1 1 21884 1 19626 1 1 49018 30327 1 1 1 1 C10 H16 N2 O7 27773 32602 1 35620 1 1 14851 16136 30390 43336 1 15950 1 8063 12962 6767 12557 16825 1 8030 17099 14577 47244 9632 12480 275.1109@0.967 1 24592 1 8269 45523 1 41630 1 1 22957 1 1 1 1 1 1 1 1 1 21345 13903 1 18883 1 1 979.9829@17.447002 1 1 1 288295 1 1 61798 127119 1 1 24417 31739 17369 188220 1 1 132677 1 1 1 1 1 709102 1 47012 C14 H6 N2 O16 S2 Esi-12.947002 91769 43215 30614 36380 1 1 26249 56588 17096 27375 1 58821 414839 38499 471043 52360 15146 41054 106992 77410 101699 470143 32016 31109 1 318.1215@5.9460006:1 1 1 1 44150 1 1 1 1 19731 1 1 1 1 1 1 1 1 17207 1 1 1 1 1 1 1 229.081@12.888999 1 34624 1 10252 45388 1 40497 13403 16281 7094 1 1 1 7594 50827 1 16975 1 24607 1 1 1 1 1 1 92.0109@1.08 41952 92397 107958 128562 132363 1 1 69302 108051 95945 36672 112917 1 1 1 115105 1 76295 1 86812 68945 103288 116553 1 1 C24 H27 N3 O26 16720 33360 1 25533 43251 1 20957 25584 1 31216 43788 35713 180376 36306 21665 1 1 28551 43306 31255 49124 45347 30278 31301 37737 314.0695@1.2329285 1 1 85228 62798 1 1 1 47901 1 42818 1 1 67327 1 69772 80779 103240 17753 1 1 93987 74395 79883 22275 69924 Esi-1.1329999 :1 26391 99935 62949 146834 56311 1 89642 8405 56353 71558 1 50367 38268 42560 23313 38453 19890 205383 29828 129527 64046 52349 96847 94072 83728 242.0989@0.86699986 1 9048 1 6482 1 1 7054 6788 9427 11339 1 1 6390 7012 1 1 7398 45365 10668 11970 1 8576 5780 48876 7100 128.0584@0.95500004 11704 34730 1 10907 59246 1 38002 8173 10641 24176 1 1 1 18010 1 8282 1 10327 8572 50297 40206 24149 22731 10414 10476 529.2701@7.763 12418 10371 15952 294435 1 1 1 1 1 20642 1 7817 10160 16200 1 1 1 10357 14135 59690 1 1 11419 1 26747 318.1215@5.721 1 1 1 41546 1 1 9501 1 19351 1 1 1 1 7899 1 1 7215 15491 1 1 7405 1 1 1 6971 C30 H25 N6 O23 Esi-11.974 114259 43181 133360 91400 60853 1 38407 104520 103518 113073 44183 24285 50191 70571 35326 121079 127276 143116 48809 52032 32218 47855 71846 154409 112888 C4 H4 S3 Esi-1.3279997 10718 16064 1 45079 1 1 1 13672 34864 82455 1 7817 74084 49724 15426 32808 1 292804 54949 7547 24380 15308 96517 94295 1 622.1181@12.949999 8456 1 12133 14921 1 1 1 1 1 15234 1 1 1 1 19727 1 38639 1 8380 1 1 9872 1 1 13125 C9 H15 N O3 10838 10944 21968 13213 10976 1 41155 18800 8085 7964 1 12217 28771 10429 6192 17145 11006 14739 23394 22890 38083 17638 23349 18240 13429 188.0475@1.2299998 1 133787 169613 11832 80334 1 94440 1 90746 101465 1 92491 1 1 1 27043 199738 107168 1 117580 164720 169799 196284 129831 124219 C9 H12 N4 O2 Esi-13.630002 :1 1 10263 9691 15258 13509 1 20796 14118 24679 19983 1 13775 9574 11836 21138 17873 22772 17508 19248 12907 10534 19717 20472 1 11954 267.8953@7.9479985 1 15489 15156 10404 1 1 42001 1 10961 11068 1 1 13233 18081 12102 1 27210 1 15002 1 1 11619 19740 13329 14063 979.9831@12.6050005 1 1 1 121531 1 1 54766 128516 1 1 1 1 26972 47691 210533 97757 1 1 1 1 1 1 1 1 1 116.0279@1.32 1 1 1 11924 1 1 163766 1 1 1 1 1 1 24366 1 1 1 1 1 1 54988 176656 229040 1 1 224.8557@0.981 13086 12682 17410 41774 18520 1 14893 10696 1 10070 1 73916 1 1 11920 1 23577 41788 1 42258 1 13948 1 39249 1 15-Keto-protaglandin F2? Esi-8.503 1 14677 45048 53825 1 1 1 44734 17431 15449 1 25524 1 41778 19128 47117 23892 53275 38746 21910 21537 25623 13051 33070 17071 606.8924@13.354003 1 1 14392 18937 1 1 9055 10284 15004 11232 1 1 19911 18099 12963 12057 21938 17946 12874 13847 1 18097 12448 11262 18134 172.0846@0.9209999 1 1 29481 19901 1 1 1 19143 19399 1 1 12782 12922 1 14357 1 1 1 1 1 19501 1 40836 1 18113 > limit Esi-11.651 17279 1 18390 30726 1 1 22879 29829 33632 18944 1 21478 26373 1 27081 33335 53878 45251 38242 31240 32691 35425 26745 25043 30589 983.9947@14.815 1 1 13339 95419 1 1 1 1 1 1 5922 10255 1 1 1 1 1 1 1 1 1 13835 1 195809 1 137.9186@0.97299993 28872 1 23375 32312 22486 1 17284 18742 1 1 1 39399 1 1 17504 1 22348 1 1 28308 1 1 1 1 1 203.0404@3.972 1 1 8391 15158 1 1 1 8497 1 9434 1 9205 1 8794 8362 13275 1 38704 1 8914 12046 12430 19103 9808 11917 C11 H20 N2 O5 Esi-3.9680002 1 26447 15006 8571 19126 1 18075 21136 16135 22746 1 10551 14028 21763 11230 11857 10409 13148 9765 24824 9756 20461 35837 18967 17643 294.1831@12.822 1 1 8286 34710 1 1 1 1 1 1 1 1 1 1 1 1 55645 1 1 1 1 1 1 1 1 558.1072@11.045999 383086 1 1 263917 282963 1 157735 29329 1 1 231471 264869 304013 266829 265092 1 1 1 1 1 275676 1 1 302496 1 983.9956@15.098 1 1 30943 22580 1 1 1 1 1 1 1 17405 1 1 1 1 35768 1 1 1 1 1 1 1 1 Esi-0.985 21711 16235 19694 47743 22904 1 18675 13388 1 11077 1 88713 14998 1 16237 9874 27883 54428 13890 49450 12346 15258 1 40593 9648 224.8552@0.98299986 18872 12682 17410 41774 18520 1 14893 10696 1 10070 1 73916 1 1 11920 1 23577 41788 1 42258 1 13948 1 38935 1 470.9196@12.947001 83079 65731 25704 15923 26214 1 18822 1 36589 37965 1 1 32252 1 38299 1 12617 1 1 1 1 15691 32438 86018 1 C7 H9 N3 Esi-13.628 11746 9007 7764 22540 20665 1 22514 16631 23273 16580 1 19116 21928 8099 20086 14744 25293 9529 14499 15682 16259 15177 20675 10787 16417 699.105@11.808 18040 1 19350 47285 50092 1 1 136064 1 54150 42133 44685 85164 45042 1 17238 56363 26289 1 1 13443 66816 29073 1 24851 C33 H12 N10 O27 Esi-13.255998 107496 116749 27306 86242 71461 1 35705 1 1 1 34529 1 1 83491 43246 100584 62394 78392 87314 65984 81176 118415 81618 124436 135143 721.0743@11.749 1 1 1 16107 1 1 26045 1 1 1 186258 16824 1 32141 21858 14940 1 27786 1 33278 35194 1 1 1 27098 354.2399@9.814 35797 1 1 19294 1 1 1 1 1 1 1 1 22298 32034 18700 1 1 25845 23587 1 1 1 1 1 1 246.1213@3.2490003 1 24662 1 11849 1 1 20424 17654 13009 21981 1 11001 1 15357 8836 10810 1 19269 1 10917 13807 17800 34498 18061 17136 268.0866@0.949 14411 1 1 15465 9458 1 1 1 1 1 1 11134 7885 9772 1 1 1 27325 1 22986 1 10375 1 36527 17189 C30 H25 N6 O23 Esi-11.804 25837 20852 21820 22701 29678 1 34201 1 1 32733 46063 16028 1 36741 19315 20913 20785 27274 30023 1 28069 35538 31271 36360 38262 339.2042@9.008 1 1 1 28817 1 1 1 22793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 143.9604@12.889 37197 1 14401 43275 24270 1 1 1 1 1 1 15282 1 21951 20170 1 1 1 1 85566 33446 1 1 19189 1 819.6079@13.382999 1 1 12283 28528 1 1 33741 31865 20465 21476 1 13673 14318 24332 20535 32613 40371 30095 24754 1 1 22856 36683 1 33030 C5 H4 O6 S2 1 16321 32787 9341 10642 1 29449 14537 18004 15281 1 10498 18363 20602 18287 14266 23524 14498 20014 1 11284 17684 24897 15895 27607 C22 H29 N3 O23 36965 29228 26830 53221 21036 1 36354 47090 1 34227 1 40646 14341 25728 35330 44972 67666 33480 40198 35731 33417 39805 1 35650 44862 451.2023@7.7050014 1 33787 1 21175 1 1 1 1 44039 22913 1 39287 38402 20112 1 1 33355 1 1 35290 31779 19849 20375 1 1 C24 H24 N8 O21 Esi-13.360997 11520 11367 13931 30277 1 1 22559 17524 29385 15537 1 13780 13502 12411 20872 21767 17040 24829 19903 1 11089 17533 14692 12386 12397 400.1552@6.337 1 1 1 30695 1 1 1 15375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23874 1 Esi-13.364001 11188 15527 13896 29188 15696 1 1 23666 17713 21663 82238 17116 14457 28763 20090 11826 23709 14252 13808 19343 10844 11238 22641 19993 18168 135.0794@12.95 1 1 1 27703 1 1 1 1 1 1 1 1 1 1 1 1 39835 1 1 1 1 1 1 1 1 312.2298@9.045999 1 1 18088 119688 1 1 1 45723 60473 1 1 43199 54628 27144 47696 30996 27962 42701 32844 53219 23214 48525 1 46271 1 84.0322@13.360999 27049 74417 22694 23799 28791 1 1 1 24483 1 1 53371 1 27121 122695 29283 1 32065 47937 1 1 29150 1 1 30698 696.0937@13.367 1 1 15168 17083 1 1 1 12603 23246 10889 1 1 19075 1 17816 19087 22533 14777 14169 9781 1 14508 17522 1 1 263.138@13.356 1 1 1 18689 1 1 14224 13279 1 1 1 1 1 1 13781 1 19264 1 11326 1 1 1 1 1 1 309.8472@8.174 1 1 10167 17213 1 1 30392 1 1 1 1 1 1 1 1 1 13265 1 1 1 1 1 14236 1 11360 202.0632@1.544 1 1 27244 8293 8263 1 7359 1 17874 21097 1 1 9165 14497 24687 1 32316 8355 20226 1 1 1 17419 1 1 762.2883@11.655999 1 1 1 19872 1 1 1 21689 39108 1 1 1 1 1 1 19645 36611 20838 1 1 1 1 1 1 1 377.9837@0.963 1 1 30658 22389 1 1 1 25201 27760 1 1 21327 21617 1 26804 1 1 1 1 1 17486 1 30551 1 28087 528.8788@13.364999 1 1 16378 25166 1 1 23467 1 35081 1 1 1 25273 1 13879 1 21371 1 16710 1 1 1 1 1 1 171.8773@1.044 9717 10333 10795 12096 1 1 1 1 1 1 1 19343 1 1 10383 1 15089 1 1 14323 1 1 1 1 11634 322.0119@13.629999 1 1 1 8528 1 1 1 6930 1 7539 1 10215 1 1 7490 10220 15188 1 7640 1 1 7672 7819 1 1 158.0408@0.969 14585 1 1 20392 1 1 1 1 12817 1 1 17768 1 1 1 41171 6673 20869 1 13981 1 9926 1 7933 1 C24 H21 N13 O17 23298 40441 29588 40727 59206 1 52209 43259 1 52976 39348 38817 48370 30438 29688 18031 1 41139 10267 43403 41518 45110 70365 52405 71435 286.2142@10.543 9047 1 1 25520 13803 1 1 1 9905 13762 1 1 7721 9384 9381 1 9838 11946 9627 11850 1 1 9136 1 1 1093.1786@0.8520002 1 9501 11339 8242 8950 1 1 9695 7473 7656 1 9693 1 1 1 7877 1 20793 11358 1 1 9115 9035 24340 1 C31 H43 N4 O S 20024 23913 20434 17904 21358 1 12996 13920 19119 12524 19313 16988 18201 19470 19406 14723 15664 24942 27186 25665 27169 27930 28013 24793 27169 597.3267@9.155 1 1 1 10714 1 1 1 10048 10183 7992 1 1 1 11538 1 8159 10195 22095 6240 10563 1 1 1 28011 1 312.2295@9.044999 1 1 17064 34764 1 1 1 45723 61372 1 1 21473 56042 27144 47696 18622 15679 37681 32840 51539 26655 27899 1 47141 1 210.8411@0.992 21744 1 13279 23424 13077 1 12009 1 1 1 1 24299 1 1 1 1 16375 24460 1 26817 1 1 1 22040 9535 910.0955@12.281001 1 26131 1 26123 31709 1 1 1 28678 16117 24104 31416 39688 1 1 1 31534 21554 1 32707 1 19300 23663 16271 17296 555.8962@13.363999 1 1 42035 17227 1 1 15680 1 1 57104 1 1 16882 1 24590 1 30813 263247 93214 1 1 38789 114651 1 1 364.2609@10.322 54510 1 1 22393 1 1 1 24290 1 1 1 1 1 1 1 8808 1 1 16911 1 1 1 1 19745 1 202.0454@1.545 1 8554 15441 17077 1 1 1 10445 1 1 1 1 9166 1 11373 17074 29287 1 10139 12290 20709 19208 20425 1 7732 539.3218@10.526 1 17002 1 30229 1 1 1 19834 11739 1 1 1 1 1 15692 11883 12797 26070 11898 1 1 1 1 13087 9987 558.1044@12.949001 17085 9237 10198 20730 12659 1 31848 11645 86859 20131 1 13626 1 1 9051 18519 31999 32010 1 1 8168 40697 11391 6957 1 > limit Esi-0.846 :14 16954 19749 19233 25566 19959 1 18212 26449 24458 16679 1 21183 23544 20677 19866 21701 18048 1 23983 21157 23591 20292 26055 1 21962 222.1113@13.382001 1 1 9674 19532 1 1 16245 1 51514 16395 1 1 1 1 1 1 1 1 15624 1 1 1 1 1 1 179.0695@13.362 1 1 1 22330 1 1 16667 10878 1 1 1 1 1 1 11947 1 25556 10437 1 1 1 1 1 1 1 821.0661@12.255001 56451 58921 1 64378 57397 1 1 56212 53048 59433 51133 1 1 55152 45464 56851 1 54049 1 24395 14421 41770 45306 66572 37434 205.9517@1.0 26259 1 1 25830 1 1 1 1 1 1 1 28833 1 1 1 21634 24732 1 1 23166 1 19869 1 1 1 772.1065@13.982 1 1 1 8629 1 1 1 1 14674 1 1 1 1 1 8393 10695 1 11187 1 1 1 1 1 1 1 597.3271@9.155 1 1 1 23435 1 1 1 10048 10183 7992 1 1 1 11680 1 8159 20402 20508 7420 10563 1 1 1 23871 1 294.219@10.788001 1 1 26425 32470 1 1 1 1 1 1 1 23212 67282 1 1 1 1 1 38624 1 1 1 1 48115 1 494.0918@13.982001 1 1 1 15282 1 1 56978 1 20183 1 1 1 1 1 11730 1 11437 1 1 1 15234 24042 1 1 1 674.1289@11.495001 29606 1 1 25298 1 1 1 26441 24382 1 1 1 24041 1 1 24540 24431 16037 1 1 1 1 1 1 1 C27 H13 N8 O13 39052 50018 155940 100099 57547 1 138006 18825 86810 11786 169725 174902 22784 55461 9048 9691 10464 95169 9392 49085 52296 14363 15055 50201 50905 120.9541@13.623 56698 1 1 18853 1 1 17013 21995 10565 36073 1 49143 1 9001 25354 34208 19372 1 1 13833 29010 28982 24615 1 63630 696.0956@13.367 1 1 15168 17151 1 1 1 12614 23736 10891 1 1 19075 1 17816 19052 22252 14777 13286 9781 1 14508 16464 1 1 202.0621@1.5419999 1 1 27244 8293 8263 1 18853 1 17874 21097 1 1 9165 14497 24687 1 54770 8355 20226 1 1 1 17419 1 1 217.89@1.131 8058 9841 1 20204 1 1 10716 1 1 1 1 1 1 1 1 1 1 22081 1 7769 1 1 1 7919 1 230.0764@2.575 1 1 1 40820 1 1 1 1 1 1 1 1 1 1 1 32996 22035 18729 20613 1 20696 20319 24913 1 1 313.8433@8.175 1 1 1 17293 1 1 26158 1 1 1 1 1 9589 10494 1 1 12141 1 1 1 1 1 12956 1 10867 614.3655@7.6500006 10061 6971 1 20552 1 1 1 1 1 1 1 1 1 15317 1 8036 1 9055 1 23672 1 1 1 1 8826 C26 H25 N6 O20 S 20104 28837 22140 23820 41857 1 24571 10655 1 25163 36699 21790 15563 29544 22589 17723 1 21163 22721 20303 28812 24560 25700 41728 40636 C20 H13 N12 O14 22135 26994 8066 19725 18470 1 21339 19143 17083 19391 23826 22762 19086 6411 27318 22719 21278 27025 23634 28725 28831 22006 20661 18030 30055 251.042@0.945 1 16064 1 18420 11402 1 1 16768 1 17083 1 16975 1 1 19240 1 1 11670 1 1 1 1 11295 14358 1 C30 H67 N12 O3 S 9398 10157 10435 9180 10164 1 11121 1 8906 1 1 8143 9260 8675 1 11195 9262 15605 1 10101 10356 10251 9362 12587 1 316.1647@13.362 1 1 1 13044 1 1 1 1 20539 1 1 1 1 1 1 1 17380 1 1 1 1 1 1 1 1 859.556@12.474999 1 1 1 46376 1 1 1 15163 31379 1 1 1 1 1 1 1 43805 22570 1 1 1 15529 17075 1 1 487.9084@13.382001 1 1 71486 26594 1 1 1 9945 1 1 1 1 1 1 24051 1 20241 1 1 1 1 1 1 1 1 300.2664@12.108001 13457 12175 1 15156 1 1 17399 1 16047 59618 1 1 1 1 14003 1 1 1 49179 15965 1 14824 28187 1 1 1195.7322@0.842 23228 25188 1 20056 21670 1 22455 19701 1 26854 1 1 1 23392 1 23603 22416 20801 20040 20477 20553 20941 1 19301 1 579.8746@13.352998 1 1 10183 14285 1 1 16305 10773 19239 1 1 1 12498 1 11590 12925 13273 17928 1 1 1 17422 1 1 15292 596.8654@13.354002 43622 1 1 19160 1 1 1 1 25232 1 1 1 1 1 1 18411 18430 1 11331 1 1 53912 16085 1 184527 290.9302@1.0229999 1 9555 7055 10702 12933 1 1 7187 1 1 1 21287 10595 1 10643 6169 14890 1 9759 13205 12157 9729 1 1 9626 207.8618@1.13 1 11043 5894 21664 1 1 10574 1 1 1 1 1 1 1 1 1 1 16419 1 8379 1 1 1 1 1 364.2608@10.642 18210 1 7268 9047 1 1 1 8316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 188.1058@12.946 14937 1 16924 21178 1 1 34505 14155 20352 13839 1 1 9505 1 13255 10051 15859 12903 8115 1 1 18342 1 1 1 292.042@0.9440001 1 1 1 8587 1 1 1 8989 1 10757 1 18827 1 1 21918 1 12497 12246 5993 1 1 1 1 16999 1 326.9074@1.0200002 1 12215 12159 14194 15494 1 1 12545 1 1 1 24941 10419 1 15176 11597 17033 1 10660 14336 13956 13988 1 1 14297 979.981@13.779333 1 1 1 95714 1 1 46975 1 1 1 1 1 61862 47159 65812 1 1 1 138218 25259 1 1 63697 33981 1 338.2451@10.433 1 1 11542 22836 1 1 1 1 1 1 1 1 1 1 1 19700 1 16351 1 1 1 1 1 1 1 160.1098@6.5429997 1 1 1 46667 1 1 1 1 1 216188 80544 95265 203557 1 1 1 1 1 1 1 59470 45903 1 26321 1 258.9755@4.2239995 14135 14419 1 10257 1 1 21005 1 14522 1 1 1 1 22045 1 1 1 1 1 8459 1 1 1 1 1 260.8232@0.9 8564 1 1 12425 1 1 8173 1 1 1 1 20166 7570 1 1 1 8977 11812 1 12137 1 1 1 14524 7703 C51 H91 O4 15263 16957 1 21073 11037 1 16330 13449 1 15311 1 7876 1 11352 18056 10589 11686 8389 17981 17511 1 12515 12714 14671 10007 343.1262@1.231 1 1 7809 14037 1 1 1 9376 7182 1 1 1 7003 10562 1 16987 1 10197 6424 1 1 1 6874 1 6701 112.0636@13.627 1 1 1 14474 1 1 1 1 1 1 1 1 1 1 15286 1 1 9673 1 1 1 1 13800 1 1 94.0414@4.225 22058 11607 1 14594 1 1 20831 1 13252 1 1 1 1 23507 1 1 1 1 9570 11062 1 1 1 1 1 529.1844@10.319 1 1 1 21912 1 1 10480 1 8823 1 1 1 1 7521 1 1 7167 10246 1 1 6427 1 1 1 8903 232.8873@0.98200005 18418 9519 11460 28072 10814 1 1 1 1 1 1 48098 9171 1 9234 1 14759 19989 1 24675 1 1 1 17077 1 Esi-1.1539998 25237 24744 26637 15714 43001 1 29082 10723 38523 34371 1 36620 40467 53799 32759 38592 45477 143818 31340 42925 65082 64564 65208 163374 61716 Esi-0.8649999 :3 5624 11945 15137 10292 7138 1 9747 9947 9772 11887 1 8184 8683 6806 9304 9938 9390 1 9745 8479 7550 9991 12705 1 10805 294.1215@4.2610006 1 12354 1 15848 1 1 6710 12270 8347 8212 1 1 1 17486 1 8024 7625 8370 7765 1 8009 8699 11188 8286 8948 293.0958@1.2320001 1 27874 56622 67577 14414 1 19753 35756 1 1 1 1 18427 60361 21154 13291 43555 17559 60896 45953 60513 60998 73461 14842 58759 242.1514@8.249 19420 1 1 19253 1 1 1 1 17282 15604 1 1 1 1 1 9236 1 9844 20208 16847 1 17351 10451 12308 1 350.8798@13.658399 104986 94868 163856 97842 1 1 1 1 1 179823 1 118324 119384 137287 1 46766 43764 1 102775 125609 1 128907 1 132093 102165 C24 H21 O24 27441 35949 18080 25997 31478 1 27608 26604 1 23248 30909 32440 32263 33317 30841 27405 25693 17589 34857 34806 38239 32702 36348 34431 26075 216.8752@1.0060002 18275 1 14361 22484 17513 1 16831 1 1 1 1 40445 1 1 1 1 23299 12570 14507 22742 1 1 1 11569 15699 443.8732@0.889 9597 1 1 8786 1 1 1 1 1 1 1 6882 1 1 1 1 5732 9286 5657 10255 1 1 1 15437 1 C10 H14 N4 O10 S 1 11318 11884 12027 1 1 10987 12690 11122 9231 1 1 12585 6951 11606 14265 18230 1 8206 9381 14721 12333 17312 1 10103 312.2299@9.045999 1 1 17821 120161 1 1 1 45723 60473 1 1 43131 53580 27144 47696 31915 27249 42669 32396 47245 26655 48525 1 44646 1 C22 H29 N3 O23 Esi-11.630998 37019 53102 27165 52954 21036 1 36332 32619 1 34034 1 40558 17045 25680 35332 45010 30927 33459 40179 34764 33404 39989 1 35634 44835 957.2879@0.85000014 11037 11588 1 9973 8342 1 8238 9293 8885 10674 1 9835 8617 7973 10280 9648 9418 9882 10907 8126 1 1 1 12064 1 324.916@13.389 1 1 1 21223 1 1 1 1 1 1 1 1 1 1 16008 1 26708 1 1 1 1 1 1 1 1 248.1006@1.112 1 18649 1 10821 1 1 13805 1 1 17153 1 1 1 9551 1 1 1 1 1 1 1 8986 16221 1 8966 C14 H21 N O19 Esi-10.839001 21108 24007 1 27635 30881 1 25549 21653 21663 27743 1 27417 24056 23301 31375 25589 31109 30944 32398 24176 31823 27670 33326 23987 27585 C14 H5 N2 O11 11225 8874 7730 8430 9631 1 1 7622 17768 8644 1 1 8838 8708 8370 8365 9951 1 1 9750 14436 9434 8812 1 1 760.1072@13.985999 8164 1 1 13684 1 1 11912 13452 11418 1 1 1 1 1 10143 12925 12510 10262 11954 1 10915 15128 11417 1 11328 128.0582@0.95500004 11704 34730 1 11518 59246 1 38002 7907 10641 24176 1 1 1 18010 1 8287 1 10327 8572 50297 40206 24149 22731 10414 10476 229.0807@13.029 1 208666 1 52626 39249 1 1 11467 1 1 1 1 16049 1 108308 1 16975 1 23685 1 1 1 1 1 83867 819.6069@13.384002 1 1 11958 28653 1 1 33515 31784 21082 21295 1 1 14407 24332 20471 32541 40366 30138 24836 1 1 22938 36683 1 33030 170.9966@1.264 1 1 1 16299 1 1 1 1 1 1 1 1 1 1 1 1 1 19701 1 11935 1 1 1 1 1 342.9083@0.912 1 1 1 8915 1 1 1 1 1 1 1 11861 1 1 1 1 1 19648 1 1 1 1 1 14014 1 C28 H31 N4 O30 1 1 26086 24530 23122 1 1 20494 21923 23438 22315 1 1 25920 1 1 30487 30416 26424 33348 25446 29423 33392 27109 32504 490.9272@0.967 13686 1 1 12343 1 1 1 1 1 1 1 16878 1 1 1 1 1 1 1 1 1 1 1 1 1 772.1061@13.630001 1 1 1 9404 1 1 1 10786 9835 7055 1 9736 1 1 12462 13124 16537 11791 10114 9494 7487 11695 12088 1 8552 256.1672@8.972 1 1 1 19461 14863 1 1 1 1 20115 1 1 1 1 1 1 1 1 1 11311 1 1 1 1 1 511.3183@12.946 1 1 1 25462 1 1 40612 1 1 15277 1 1 1 1 1 20629 35784 1 11253 1 1 1 1 1 1 610.1175@13.628001 1 1 1 8430 1 1 1 9087 12991 1 1 8855 1 1 7255 1 9975 6928 6402 7206 1 9174 11177 1 7785 297.8871@0.7840001 9515 8436 7283 8830 1 1 6911 8070 8553 8874 1 10649 8652 1 8961 6776 8303 1 16410 10337 10518 9834 1 1 1 109.0638@13.362 1 1 36646 74938 1 1 1 1 14887 1 1 1 23754 31234 19121 96569 1 1 1 14913 30018 1 1 1 1 494.0915@13.627 1 1 1 16127 19304 1 25654 17697 1 1 1 14477 11196 15248 24058 19628 35960 23064 16376 23111 13843 21790 27660 9534 20499 760.107@13.628002 1 1 1 11743 6673 1 12382 7807 10211 1 1 10348 6792 7207 14623 14487 16214 8906 11699 11015 8064 12530 12711 1 8706 622.1164@12.949998 5724 1 13876 15351 1 1 1 14212 77751 14965 1 1 12505 1 7930 13860 46734 1 8529 33055 1 14389 15424 1 13975 C31 H65 N4 O8 S2 7975 10284 12209 7705 12269 1 10934 8567 1 11871 7287 9970 9473 9522 9436 8269 10401 17359 12337 7834 15548 13505 14221 13436 16841 789.0969@11.872 1 13313 1 20046 1 1 1 16319 19463 1 1 43206 15512 45724 15434 19554 19622 1 18920 1 1 1 47270 11607 14041 661.0728@11.694 1 1 1 24026 1 1 1 20727 14265 1 1 1 26296 1 1 60036 22725 26269 20845 1 1 26730 13504 1 1 C24 H37 N2 O27 S 25328 26218 26777 28122 30057 1 1 28227 1 1 24452 16666 15519 31514 15730 29850 43852 39922 35879 39435 23485 23371 21703 34344 41942 233.984@1.229 1 7655 12084 8807 1 1 1 10933 1 1 1 1 9837 1 8201 9238 16393 1 7053 1 11304 11330 12291 1 1 Esi-8.166 10285 9934 1 11217 13952 1 13264 12534 8779 9420 7934 1 8918 10896 10489 1 9514 1 1 11160 9730 11960 11358 1 11681 622.1156@12.951002 1 1 14638 20828 1 1 21038 1 73232 16310 1 12168 1 1 1 1 1 1 14744 1 1 1 1 12138 1 1115.0975@0.84700006 1 13350 10781 11899 1 1 1 1 1 11604 1 8447 10662 13682 1 10696 10344 13399 12879 1 1 12303 1 13026 7929 260.8234@1.0039998 8754 1 1 12425 1 1 8173 1 1 1 1 16718 7570 1 1 1 11787 11812 1 9898 1 1 1 14524 7703 460.8914@13.386999 95996 1 1 17881 1 1 1 1 25166 1 1 1 1 1 12679 1 19203 1 1 1 1 1 1 1 1 220.8525@0.9 1 1 1 8495 1 1 1 1 1 1 1 16896 1 1 1 1 10434 8343 1 6261 1 1 1 1 1 643.5168@0.8529999 7369 1 10722 11782 1 1 8569 9500 10112 8581 1 1 9685 1 8999 8412 1 1 1 7654 8200 8507 9302 1 9916 360.2301@9.959 96148 1 1 20575 1 1 1 1 1 1 1 1 119703 1 1 39766 54137 1 23954 26486 1 1 1 29383 1 C18 H23 O23 1 9805 10822 15267 13718 1 15149 13478 13074 13691 15834 11781 15162 14316 12707 15842 16908 8159 16917 23203 16348 18969 21191 15992 16287 111.9649@1.078 9474 1 1 16398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8306 1 1 1 1 1 316.2608@10.813001 1 1 11932 11363 1 1 1 1 15208 1 1 9866 8576 1 11868 1 6754 1 1 1 8227 1 10979 1 9701 C43 H79 N15 10703 13745 16053 11876 8031 1 13361 11829 7963 11094 1 8413 8256 1 10302 1 9808 10780 11915 1 7514 1 11531 10358 8612 714.0034@0.95100015 11459 10706 12347 19674 1 1 11960 12366 1 11033 1 1 1 10129 12331 1 1 1 1 11249 1 1 13946 1 1 766.6898@0.88500017 12930 16519 13943 16718 9779 1 15870 12653 1 1 1 1 1 1 14135 10101 10062 8700 15005 16773 1 11292 10651 13296 10469 Esi-1.1550002 19491 22223 25695 11771 38430 1 19908 1 35861 30002 28604 37403 32406 45098 26313 34232 37347 74561 23496 37721 57895 57667 53699 134971 50086 352.2247@8.777 1 1 75608 110623 1 1 1 126502 67576 1 1 69010 1 57057 77232 154561 104103 1 1 77224 39966 72482 1 115889 34705 216.1726@9.2613325 212717 39985 1 17368 84905 1 61924 1 1 1 1 1 115683 170373 42559 76101 1 1 115950 1 102085 1 1 34487 1 360.0943@1.229 1 1 1 6527 6344 1 10247 1 13060 1 1 6928 1 6177 7659 1 1 1 5906 12705 7353 13181 1 1 9941 217.0632@1.226 16287 1 1 13871 1 1 1 1 1 1 1 6637 1 1 1 1 1 1 10345 9262 10078 1 15611 1 12901 58.0416@2.549 1 1 1 47404 1 1 1 1 1 1 1 1 1 1 1 1 1 34089 1 1 1 1 1 1 1 699.9171@13.630998 1 1 1 9068 1 1 11026 1 15565 1 1 9025 1 1 9652 1 29951 7937 8511 9351 10104 8596 10391 1 7490 351.9354@13.379001 1 1 1 33595 1 1 1 1 1 1 1 1 1 1 1 1 198378 1 28161 1 1 1 1 1 1 456.2547@9.062 1 1 12436 12760 1 1 1 1 1 1 1 1 1 1 15889 1 1 9433 1 1 1 1 15942 1 1 C27 H21 N7 O16 1 16599 19864 43197 18809 1 26477 36525 8330 33552 26888 44657 19232 33083 1 17895 40683 1 48652 27622 1 18741 47247 21261 1 132.0786@5.1739984 1 1 12396 10261 8674 1 8627 11716 12825 20373 1 7830 1 9464 10797 10134 9289 13285 6882 1 16354 13278 23970 1 12242 334.1019@13.628 1 1 1 8861 1 1 8507 8399 1 7057 1 1 1 1 8920 10091 10008 1 7212 1 1 6565 11640 1 1 218.0899@1.198 1 15928 1 12427 8767 1 11025 1 1 12274 1 1 1 1 1 1 1 1 1 6595 1 1 13399 1 1 983.9956@14.842 1 1 16411 48415 1 1 1 1 34064 1 10374 15063 1 1 1 1 1 1 1 39052 23071 117152 1 1 162320 120.9538@13.623997 42147 1 1 22813 1 1 16748 39932 10721 56160 1 47192 1 46321 30504 33638 19984 31041 25851 17988 1 39073 30813 1 1 C22 H52 N11 O17 6551 14196 15734 11744 12352 1 10593 13295 11134 7869 1 11451 13668 10231 11104 14920 8387 1 11516 7610 14187 14578 1 1 7398 601.5493@0.84999996 1 1 8287 8852 7364 1 1 7351 1 1 1 8801 1 1 1 1 1 1 1 1 7833 1 7575 1 1 116.0281@1.447 1 1 1 11924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50688 1 1 1 1 > limit Esi-11.651 :1 17279 1 18390 30726 1 1 22879 29829 33982 18944 1 21478 26373 1 27091 33335 53878 45251 38242 31240 32691 35503 27270 25043 27148 564.0281@0.9230001 1 6926 8650 6861 8621 1 7600 7544 8523 1 1 11550 7309 7334 9316 10057 1 1 1 7019 11415 7988 9286 1 10655 392.9028@13.379001 1 1 1 10362 1 1 1 1 22798 1 1 1 1 1 1 1 29985 1 1 1 1 1 1 1 1 351.0619@0.94200003 1 7708 1 10122 1 1 1 6595 1 7636 1 1 1 7240 8322 1 8158 1 9359 7614 1 1 8054 7198 1 275.1381@13.362 1 1 1 18594 1 1 1 12019 1 1 1 11896 1 1 16710 1 16379 1 11213 1 1 9645 1 1 1 127.9119@12.663001 1 48731 1 64938 448415 1 1 53851 27657 53109 1 1 1 1 1 67137 1 1 1 1 1 1 32363 1 1 558.1042@12.949001 1 1 29174 33793 12268 1 9906 17116 1 13963 1 8825 25855 1 14354 1 10915 26090 29054 6985 8217 42782 8167 6803 1 819.6056@13.384002 1 1 12283 24708 1 1 33914 31919 17073 21476 1 1 14336 24332 20471 32686 40395 28805 24993 1 1 22856 36683 1 33030 207.9503@7.384 1 1 14048 11783 1 1 1 1 12286 1 1 1 1 1 1 1 1 1 15254 1 1 1 1 1 13411 298.1776@7.8840003 1 1 16168 13724 1 1 1 1 1 1 1 1 1 1 1 1 1 15086 1 1 1 1 1 1 1 308.198@8.875 29047 1 1 16816 1 1 1 1 1 1 1 1 11821 1 1 1 1 1 13185 1 1 1 1 14262 1 C6 H9 N O5 Esi-0.91199994 71426 30319 29349 15778 42044 1 39503 1 70542 42011 1 1 50095 1 24821 52371 44011 7830 57706 45580 77911 63960 39464 10351 1 434.9441@0.896 8430 7841 8143 7624 6995 1 1 1 1 1 1 1 1 1 8098 6912 9175 1 1 9785 7261 1 1 1 1 312.2294@9.045999 1 1 16709 157187 1 1 1 45723 61852 1 1 69122 45520 27144 47696 29980 24175 42444 32842 53219 23266 44839 1 46271 1 149.9902@1.238 1 16972 1 9333 1 1 1 1 1 1 1 1 9374 1 13887 1 14146 1 1 1 10695 9785 12480 11485 1 546.1042@13.369001 1 1 1 22132 1 1 16444 1 32436 1 1 1 13172 1 12464 11628 22621 17361 13459 1 1 22833 1 1 1 216.8755@1.0060002 18275 1 14361 22820 17513 1 16831 1 1 1 1 40445 1 1 1 1 23299 12570 14507 22742 1 1 1 11569 15720 C23 H23 N14 O14 S 11127 16745 28922 17400 13903 1 22205 15536 1 11749 21978 7377 16141 21650 36460 20164 15771 15245 17261 12858 23619 18778 9408 22781 9996 781.0051@0.9440001 13756 8411 1 7890 1 1 8532 1 1 1 1 7536 1 1 7446 1 1 1 8562 9895 1 1 1 1 1 300.0636@1.2399999 1 1 8931 8155 1 1 1 8414 1 1 1 1 7636 1 1 7443 14223 1 7024 1 7758 1 8996 7853 1 231.0235@0.9440001 1 7557 1 9172 1 1 1 1 1 7629 1 9252 1 1 8382 1 8379 10113 8061 1 1 1 1 13217 1 393.8331@0.89300007 1 1 1 11585 1 1 1 1 1 1 1 1 1 1 10367 1 5823 1 1 1 1 1 7923 7341 5458 449.9387@0.9269999 1 1 9927 8478 1 1 1 12826 1 1 1 1 1 1 9260 1 1 1 1 1 1 1 13008 1 1 158.0594@13.377999:1 1 1 9041 21020 1 1 1 13463 20053 1 1 1 1 1 16487 10334 21910 1 1 1 1 1 1 1 1 352.2246@8.503 1 10792 45048 53735 1 1 1 44734 17431 15682 1 25411 1 41778 19128 1 30323 69005 38746 21028 22090 16208 13056 42183 17394 C23 H12 N4 O4 8628 9561 7397 7280 7712 1 9413 9005 1 10431 1 6405 7632 10707 11103 8832 7232 8452 12790 10906 6779 11528 11859 8278 9029 631.7483@0.8920001 12570 10050 1 15305 1 1 1 1 1 1 1 1 1 1 11487 1 1 1 9012 9782 1 1 1 14045 1 198.0428@1.191 1 1 1 7983 1 1 1 1 1 1 1 1 1 1 1 1 1 13118 1 7903 1 1 6055 1 5977 217.942@3.4249997 27969 67503 1 54114 1 1 1 12110 49429 8660 1 20402 47692 1 1 1 64191 1 1 1 1 1 26528 1 1 257.0904@13.379 1 1 1 15026 1 1 1 1 1 1 1 1 1 1 11080 1 1 1 1 1 1 1 1 1 1 857.657@0.867 1 1 8054 6653 1 1 1 1 5224 1 1 1 1 11063 1 1 1 1 1 1 1 1 9704 1 1 177.9062@0.8920001 13551 1 1 9710 1 1 1 1 1 1 1 1 7773 1 1 8445 8183 1 1 10940 1 1 1 13701 1 210.8406@0.992 21744 1 13279 23424 13077 1 12009 1 1 1 1 15782 1 1 1 1 16375 24460 1 26817 1 1 1 22040 9535 C18 H34 O4 8205 10780 15115 9795 11722 1 12308 10268 1 9474 11961 14888 9129 11349 10395 8748 11040 14288 10935 9015 1 13420 13073 11648 11157 314.2453@11.565999 1 1 1 17236 1 1 1 1 11495 1 1 1 1 1 1 1 17065 1 1 1 1 1 1 1 1 C50 H81 N7 O2 11721 16450 11598 14284 1 1 7104 10169 6801 10201 1 9511 9871 11361 9705 9164 10214 1 11298 10105 1 10160 11261 8696 8761 391.8375@0.89300007 1 1 1 10791 1 1 1 6244 1 1 1 5534 1 1 7336 1 1 1 1 1 1 1 8007 5985 1 194.0307@1.2229998 22034 1 1 9124 1 1 7606 9979 12203 12205 1 1 1 1 9672 10278 1 1 11888 8305 7995 8896 9687 1 8039 324.9092@1.0170001 1 6706 1 7322 9787 1 1 1 1 1 1 13112 1 1 1 1 8651 1 1 8504 8952 7677 1 1 1 C31 H33 N8 O26 S 15406 34961 1 31303 15774 1 37407 1 1 39067 12221 36980 37197 40433 35976 1 14305 35917 53065 47383 18704 30712 32804 13250 15954 258.1825@9.389714 9108 1 7503 14423 13473 1 17821 1 8197 17552 1 1 1 9432 8143 1 8831 1 9506 10310 1 8765 10187 1 1 126.9702@1.139 1 11268 8336 16164 1 1 14879 1 9073 10258 1 1 1 1 1 1 1 23494 1 13310 1 1 11642 14410 9711 324.0091@13.372 1 1 1 14137 1 1 1 10602 21951 1 1 1 1 1 1 1 14480 1 1 1 1 1 1 1 1 C27 H13 N8 O13 Esi-11.6950035 7621 55549 119410 85100 95693 1 161420 13424 7384 69228 153712 49936 10264 68300 12573 7361 9898 14226 12634 72183 67361 44755 52193 64841 61805 312.23@9.043 1 1 17064 34753 1 1 1 45723 60473 1 1 21473 56042 27144 47696 18622 15671 37681 1 13481 1 27899 1 47141 1 412.2095@8.065 1 1 1 14535 1 1 1 1 1 1 1 1 1 9971 1 11989 11465 21027 1 1 1 1 1 1 1 298.8283@0.895 1 1 1 6366 1 1 1 1 1 1 1 7327 1 1 1 1 1 8496 1 1 1 1 1 11359 1 C34 H21 N4 O18 20636 27539 22211 23996 39500 1 22667 10655 1 37184 35621 23337 15512 29852 22589 17723 1 21163 23849 27118 25292 24560 25439 41670 40656 696.0938@13.367 1 1 15168 17083 1 1 1 12603 23246 10889 1 1 19075 1 17816 19087 22533 14535 13150 9781 1 14508 17522 1 1 533.9306@13.363999:1 1 1 1 18788 1 1 33140 1 37134 18096 60860 1 1 1 1 1 28761 1 13286 1 1 16647 1 1 1 C24 H21 N13 O17 Esi-11.735996 24109 45154 20252 40163 59279 1 66466 40490 1 16965 38555 33306 48727 30526 29700 18031 1 41208 35628 33634 31954 75002 71488 46820 72047 676.0942@11.628999 1 1 1 20024 1 1 29363 1 1 1 1 1 28572 1 24661 1 32955 41651 37771 25895 24420 1 1 1 1 214.0103@1.217 1 1 1 8075 1 1 7914 1 1 12601 1 1 1 1 7282 1 1 1 7044 1 1 1 1 1 1 981.7928@0.8500001 1 1 6132 9163 1 1 1 9503 12112 6410 1 8858 6996 6849 9875 1 1 1 6983 1 1 1 11666 1 11698 419.806@0.86900014 6330 7622 7908 9142 6261 1 8412 7220 1 5951 1 1 1 1 1 7046 5839 6642 1 1 1 1 6233 7484 1 532.2618@5.347 1 7596 7101 7256 1 1 1 1 7214 1 7806 1 1 7412 1 1 7546 9714 7582 1 7677 8470 1 7633 8164 553.5575@0.88000005 1 1 8826 11366 1 1 1 9758 8846 1 1 10898 7156 1 6895 5871 1 1 5917 1 7749 6188 9266 1 12111 384.9946@6.5950007 9967 12985 1 11182 1 1 10643 10958 1 1 1 1 10813 11557 1 10845 11115 11411 1 1 1 12299 12429 1 1 378.9132@0.969 1 1 7241 8949 1 1 1 1 1 1 1 11248 1 1 1 1 1 6390 1 1 1 1 1 1 1 1229.2313@0.84700006 7072 1 8658 7845 1 1 1 1 8089 8861 1 6870 7383 7959 8872 1 1 1 6318 7571 8961 7983 10254 1 9200 136.9782@13.62 1 1 1 7424 1 1 1 1 1 1 1 8902 1 1 1 28306 1 1 1 1 1 1 1 1 1 Esi-11.076003 9114 9932 8325 8493 9576 1 9101 9179 1 7862 8091 9775 9131 11010 8778 1 8241 8326 9565 10241 11478 11991 10785 9996 12610 C36 H13 N4 O9 22135 22013 22528 22443 20714 1 16633 19770 20090 21296 25159 20229 18946 22202 27061 26993 22621 21279 24259 25114 15597 21338 28011 26897 29467 520.0115@0.958 1 9363 1 10420 1 1 1 8298 1 1 1 1 1 1 8181 1 1 1 9692 1 1 1 1 1 1 C50 H53 N O S3 1 6648 7464 7196 6960 1 5765 6382 7181 7137 1 6643 7415 1 6847 8296 7145 1 7340 7560 6177 7654 6293 1 6593 639.7407@0.86699986 1 11102 10535 10981 9764 1 10045 10468 7219 10496 1 8736 7529 8505 8915 6502 1 1 8565 10009 6844 1 1 1 1 250.1567@10.147 1 1 1 14883 1 1 1 1 1 1 1 1 1 1 8439 1 1 8539 7190 1 1 7552 7944 1 1 751.1247@11.781999 16421 1 27577 18849 17902 1 15355 1 1 1 17325 22462 19285 13152 17143 17159 1 20103 21575 19730 1 1 36517 31339 33760 174.1254@7.224 1 1 1 26487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 723.5854@0.861 1 7715 7209 6784 1 1 1 9004 1 7483 1 1 6903 1 7430 1 1 1 1 1 6572 1 1 1 1 1223.2513@0.84700006 1 1 6100 6833 6044 1 1 1 6844 1 1 6901 1 1 6979 1 1 1 1 1 5862 1 7394 1 8135 366.0774@0.9350002 1 6668 8825 6685 7587 1 7044 7322 1 1 1 9371 1 7513 10525 11403 1 10057 7650 7519 6847 7625 7525 10300 1 772.1087@13.362 1 1 12076 24169 1 1 17862 16547 1 18561 1 1 13059 18105 20798 13525 23113 13517 15895 1 1 14826 15818 1 13892 857.3443@0.868 1 8732 12164 11161 1 1 9234 9861 9925 8901 1 10645 9092 10149 9997 1 1 1 1 1 9273 9309 9697 10444 10117 220.8526@0.89799994 1 1 1 8495 1 1 1 1 1 1 1 11168 1 1 1 1 1 8369 1 5997 1 1 1 10526 1 173.8742@0.982 1 1 1 12436 1 1 1 1 1 1 1 11728 1 1 1 1 1 1 1 1 1 1 1 1 1 534.2593@5.347 1 1 1 7841 7639 1 1 7924 1 1 7376 1 1 7877 1 7491 1 8437 8033 1 9432 8500 7629 1 8246 1079.5581@0.9 7249 8864 10133 8262 1 1 11200 7605 1 9061 1 1 1 1 8340 1 1 1 10153 9042 1 1 1 8305 1 101.016@1.026 1 6979 9470 9791 1 1 1 7986 1 1 1 1 1 7558 1 1 1 1 1 1 1 1 10998 1 1 571.7554@0.86999995 6370 8322 7772 8131 9630 1 9422 7800 1 8789 1 6592 6012 1 1 1 6438 1 7457 8929 1 1 8330 7899 1 772.1059@13.630001 1 1 1 9404 1 1 1 10786 9835 7055 1 9736 1 1 12462 13124 16537 11791 10114 9494 7487 11695 12088 1 8552 166.0486@3.194 103480 89980 34098 43587 1 1 15752 19178 35292 1 1 41770 1 1 1 27882 40666 1 32936 59738 1 44234 1 25321 55394 1262.4119@0.8439999 1 7460 6281 6112 7025 1 1 6016 1 1 1 1 1 1 1 1 7660 8282 1 1 1 1 6836 8764 1 1076.2677@0.85099995 1 6844 1 6137 6618 1 6361 1 1 1 1 7454 1 1 1 1 1 1 6225 1 1 1 1 1 7700 549.5633@0.88 1 1 9402 7713 1 1 1 7345 7569 1 1 8053 6899 1 6263 1 1 1 1 1 6649 1 9129 1 10427 731.049@11.96 1 33058 1 33382 36461 1 1 1 1 1 1 1 1 18700 1 1 1 1 41866 17413 41670 14806 18935 42979 1 > limit Esi-0.8450002 :1 6846 7595 1 7244 6368 1 6387 7876 6580 1 1 6982 8501 6030 8493 7068 1 1 6380 1 7171 7875 6363 1 6548 1269.0667@0.84500015 6250 9216 1 7063 1 1 7025 1 1 1 1 1 1 1 6220 8171 7060 10930 1 1 1 1 1 6991 1 C18 H32 O4 Esi-11.058 1 24318 16347 170250 44297 1 22005 1 25576 35475 1 13809 15221 22589 25054 17257 57887 18891 23169 46425 14781 36503 32561 1 14136 140.0828@5.805 1 1 1 16244 1 1 1 1 11779 1 1 1 1 1 1 11628 8052 7745 1 7423 1 1 1 9094 1 489.874@0.85300004 1 6429 7133 7745 1 1 1 8646 8286 1 1 1 7738 1 8646 1 1 1 7571 1 7382 1 9053 1 9639 511.3203@13.370001 1 1 10527 21082 1 1 1 10863 1 13962 1 1 8664 1 1 1 1 11423 10332 1 1 9931 11530 1 1 C28 H19 N17 O14 25328 26218 26486 28122 30057 1 1 28227 1 1 24452 17275 15519 31184 15730 29850 43852 40719 35879 39435 23485 23268 21687 36347 41942 C49 H19 Cl2 O2 34927 66808 36567 92727 62520 1 31280 51466 71170 73480 128481 36415 73973 86999 78471 98178 70405 38431 86945 58917 29589 44373 88395 58536 36069 170.8812@0.8719998 1 7094 9618 5850 1 1 9420 1 1 1 1 1 6054 6707 8096 9002 6899 1 1 6600 10187 9448 1 1 9012 230.1884@10.0859995 1 1 1 140335 129413 1 1 1 138339 75503 1 1 1 1 1 1 1 165032 1 17393 148664 75449 1 1 26416 424.0277@0.95900005 8108 9687 1 9575 1 1 1 1 1 10525 1 1 1 1 8655 1 1 1 9189 11146 1 1 10216 1 1 C14 H13 Cl3 N2 S 1 6662 7928 6734 6868 1 7387 1 6240 6715 1 7321 7604 8190 7256 7863 7196 10027 6753 8646 6358 7496 6435 9158 1 1045.2302@0.86199987 6942 9229 9169 9634 7732 1 7321 9400 8194 1 1 9714 10241 1 8446 7277 1 6033 7685 7999 1 1 7259 1 1 1020.2596@0.864 1 1 7738 7889 7081 1 7452 11248 7878 1 1 10050 7375 6336 7356 1 1 1 1 1 8152 7286 9294 1 9377 513.7929@0.8690001 1 7662 1 8558 11240 1 9459 1 6390 5965 1 1 1 1 5777 1 1 1 6298 7668 1 1 7302 1 1 1033.2643@0.85799986 1 1 8473 9061 1 1 1 8990 7390 7171 1 1 1 7066 1 7309 1 1 6774 1 1 1 7482 5939 7299 166.0487@3.1920002 103511 90467 34673 43606 1 1 17745 20013 35340 1 1 40573 1 1 1 41009 37260 1 33065 61320 25420 44367 1 25321 52780 324.0091@13.625 1 1 1 8401 1 1 1 1 1 1 1 1 1 1 9494 1 1 1 1 1 1 1 1 1 1 457.9693@0.949 1 1 1 9991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7360 1 1 1 1 1 252.0354@0.948 1 8725 8425 10745 7673 1 1 7352 1 8569 1 9976 1 6708 9600 1 8334 1 8795 1 1 1 8080 10461 1 669.4779@0.88 1 1 7657 7762 1 1 1 7087 6880 1 1 7917 6261 1 6559 1 1 1 1 1 6378 1 7470 1 9128 309.7952@0.8730001 1 1 7544 6862 1 1 1 7298 6372 1 1 7631 6314 1 1 1 1 1 6205 1 1 1 8309 1 8382 507.0665@0.9169999 1 8687 7510 8863 1 1 1 1 1 6535 1 1 1 7827 9573 6389 1 1 1 6706 1 6766 8035 5621 1 334.2144@9.169 1 1 1 25047 1 1 1 1 87078 1 1 1 1 57106 1 1 1 1 1 13124 88305 1 1 56894 1 183.0526@3.2060003 1 32177 1 22583 29278 1 1 25166 24611 1 1 35145 28469 36482 37639 31259 1 35483 27632 25873 32725 35401 31466 1 34545 369.7513@0.884 9437 1 1 6851 1 1 1 6994 1 1 1 1 7659 1 1 1 1 1 1 6318 1 1 1 1 1 769.9905@0.94200003 1 9506 1 9369 1 1 7570 1 1 1 1 1 1 1 8364 1 1 1 1 7733 1 1 1 1 1 820.3026@0.848 1 1 6222 6175 1 1 1 6270 6363 1 1 1 1 7112 1 1 1 1 1 6251 6298 1 1 1 1 1081.5575@0.89500004 9253 8542 1 9892 1 1 10257 1 1 8961 1 1 1 1 9019 1 1 1 8310 8959 1 1 1 7328 1 333.8652@0.89300007 1 1 6704 9322 1 1 1 1 1 1 1 1 1 1 8894 1 5810 1 1 1 1 1 7486 7325 1 965.2733@0.85499996 1 1 8625 8621 6026 1 1 7356 8375 6936 1 7328 7933 1 8002 1 1 1 8124 6885 7374 1 1 1 7027 747.9879@3.888 1 1 1 9194 1 1 1 1 1 1 1 1 1 1 1 1 1 8803 1 1 8418 1 1 8021 1 667.4854@0.881 1 1 7815 6357 1 1 1 7080 6484 1 1 6690 6325 1 5995 1 1 1 1 1 1 1 6879 1 8870 1257.2295@0.84700006 1 1 1 7449 6108 1 1 1 1 1 1 6354 6774 1 7477 1 1 1 1 1 6895 7039 7382 1 7857 979.9839@3.6790004 1 1 1 46179 1 1 1 1 1 69643 1 21046 12593 40282 1 1 1 35142 1 1 56856 82574 1 1 1 672.4425@7.0089993 1 1 1 8392 1 1 1 1 1 1 1 1 1 1 1 1 1 9080 7991 7769 7986 7633 7705 1 8764 1505.6896@0.842 5756 5961 6053 5932 6668 1 6511 1 1 6657 1 1 1 6149 5935 5841 5640 1 1 6086 1 7258 1 1 1 70.0029@0.84 1 1 1 9990 1 1 1 1 1 1 1 1 8330 1 1 1 1 1 1 1 1 1 1 1 1 629.7101@0.86699986 1 7771 6679 7606 7982 1 1 7101 6770 6422 1 7589 6119 6037 1 5449 1 1 7651 8951 5712 6043 1 1 1 C20 H36 Cl N3 O15 S4 15682 28303 26245 73705 25284 1 25789 82774 76914 27463 28846 16958 134311 29876 27436 86740 79251 27767 24112 27258 30855 27306 108478 24994 27004 775.37@0.84099984 6563 7431 6336 6297 8251 1 8782 1 1 8928 1 1 1 8424 6427 7466 8127 8469 6137 7681 1 6761 1 7758 1 70.003@6.2928467 1 1 20048 54367 22378 1 1 15847 55505 1 1 52512 56410 1 24280 1 1 52086 1 46409 1 62559 28006 1 55472 699.4803@0.87299997 1 1 7302 6422 1 1 1 1 1 1 1 6419 1 1 1 1 1 1 1 1 1 1 1 1 1 > limit Esi-0.8489999 :7 7975 8548 11740 7521 7646 1 7153 9347 8593 1 1 7249 1 8767 8852 10639 7113 6039 11206 11277 8882 8059 9738 6531 7119 347.7778@0.879 10505 1 1 7137 1 1 1 8239 1 1 1 1 6473 1 1 1 1 1 1 1 1 1 6747 1 5875 904.7604@0.855 1 1 5484 5533 1 1 1 6087 1 6485 1 1 6507 1 1 1 1 1 1 1 1 1 6258 1 9347 158.0389@0.92 15300 1 8615 15765 7082 1 8320 1 14582 1 1 13102 1 7930 6919 23068 1 20108 1 15533 9169 5862 5880 14217 1 1101.2521@0.85400003 1 1 6758 8999 1 1 1 8309 6606 1 1 1 1 1 7460 6962 1 1 7188 1 6003 1 1 1 6955 957.7192@0.858 1 1 6367 7008 1 1 6873 1 5919 1 1 1 1 1 7125 1 1 1 1 1 1 1 1 1 8620 561.725@0.87100005 1 6294 7009 6628 5606 1 6777 5846 1 5549 1 7115 6685 5866 5625 6182 6039 1 6328 1 1 6126 1 1 1 1079.5631@0.90000004 7249 9392 10104 9739 1 1 9753 1 1 8348 1 1 1 1 7905 1 1 1 8873 11190 1 1 1 1 1 986.2662@0.867 1 7332 1 7392 1 1 7646 1 1 1 1 8198 7738 1 6928 1 6217 6560 1 7386 6892 1 1 1 8642 680.0001@3.885 1 8793 1 8916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1061.2188@0.87199986 1 1 6866 6886 1 1 1 7231 1 1 1 7618 1 1 1 6464 1 1 1 1 1 6172 7322 1 7027 145.9662@1.2340001 1 1 1 6773 1 1 1 7834 1 1 1 1 7496 1 1 1 9243 1 1 1 1 7329 8555 1 1 533.9306@13.363999:2 1 1 1 18788 1 1 35838 1 37134 18096 60860 1 1 1 1 1 28253 1 13400 1 1 16647 1 1 1 842.3053@0.8460001 1 1 1 6345 1 1 1 6674 6958 1 1 1 6063 1 6126 1 1 1 1 1 7063 1 6164 1 7366 223.9062@0.783 1 1 8175 7827 1 1 1 1 1 1 1 1 1 7463 1 1 1 1 7990 7497 1 1 1 7126 7640 999.2619@0.85799986 1 6743 7806 9824 1 1 1 1 7006 6891 1 7800 7288 7789 1 7895 1 1 7889 6922 1 1 1 1 7343 1015.0765@0.945 1 1 1 6404 1 1 1 8228 1 1 1 1 1 1 7296 1 1 1 7572 1 1 1 8156 1 7580 174.1257@7.058 1 190454 1 23423 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 58564 1 1 371.7511@0.876 6234 1 5941 6532 1 1 1 1 1 1 1 6005 1 1 1 1 1 1 1 1 1 1 1 1 1 601.578@0.875 6541 1 6615 6760 6106 1 1 7025 1 1 1 5640 6571 1 5771 6414 1 1 1 1 1 1 1 1 1 739.674@0.8660001 1 8725 8373 9333 8312 1 7673 8417 6790 1 1 8749 1 8217 8505 1 1 9925 1 1 1 6390 1 11151 7252 1075.1757@0.86 1 1 1 6999 1 1 1 7426 7393 1 1 1 1 1 7772 1 1 1 1 1 1 1 1 1 7371 1208.4056@0.84999996 7133 1 5958 7365 1 1 6516 8002 8113 1 1 1 5874 1 6973 1 1 1 1 1 1 1 7477 1 1 1097.5496@0.875 1 8616 1 9670 1 1 9083 1 1 8702 1 1 6033 1 1 1 1 1 1 1 1 1 1 1 1 C27 H13 N8 O13 Esi-11.6950035 :1 7372 61372 109699 84038 94544 1 61544 7568 6943 68569 149882 44805 21353 74438 51102 6396 11267 17999 12159 79104 64826 44361 67062 65079 61577 1198.4108@0.84700006 1 8963 7856 8996 6237 1 1 7347 7642 7623 1 7516 6560 7235 7503 1 1 1 1 5883 7413 1 7753 1 7761 817.6584@0.874 1 7701 7525 7364 1 1 1 1 7766 1 1 1 1 1 1 1 1 1 1 1 1 6421 7231 1 1 180.9101@0.8719998 1 7147 7948 7863 1 1 8619 1 1 1 1 1 1 7376 6867 8369 7737 1 6494 14106 7849 6595 1 1 8385 1001.2625@0.866 1 1 7836 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6890 6039 1 1 1 1 1 > limit Esi-0.84599996 :6 7243 7167 6515 7009 1 1 1 7206 1 1 1 1 8112 6666 1 6958 6556 1 7004 6739 7538 6428 5979 1 6552 347.1191@1.226 1 6284 1 6370 6299 1 6143 1 8627 1 1 6461 1 1 1 1 1 7086 1 8005 1 7673 1 6326 10507 727.4361@0.88 1 1 1 5916 1 1 1 6893 1 1 1 6731 1 1 1 1 1 1 1 1 1 1 1 1 7089 674.129@13.358001:1 1 1 1 18739 1 1 1 16280 1 1 1 1 12956 1 11431 1 18035 15404 1 1 1 1 1 1 10905 1213.0812@0.84999996 6437 1 1 6967 1 1 1 1 6763 1 1 1 1 1 6679 1 6898 1 6892 1 1 1 1 1 1 1054.2631@0.859 1 1 1 7680 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6831 1150.4366@0.8500001 6170 6878 1 6783 6947 1 7566 7253 1 7637 1 1 1 1 6574 7607 5745 6134 1 6522 1 1 1 1 1 Esi-0.9160002 :1 42819 24626 21462 21272 17362 1 20896 1 21958 1 1 17912 20581 20732 15438 27132 21822 19770 18271 26287 21549 24465 16546 18058 1 204.0211@1.229 1 7152 7643 6931 1 1 1 7228 1 1 1 1 6637 1 7093 8257 10266 7371 1 1 7356 8650 9320 10336 1 1289.0587@0.848 1 1 7585 7716 1 1 1 1 1 6620 1 1 8081 1 1 6956 1 1 1 1 6425 1 1 1 6576 470.9191@12.949 83079 65792 38955 23377 65998 1 23041 1 38387 29265 1 55477 1 1 1 1 15767 1 1 1 1 31123 32438 11244 1 C27 H13 N8 O13 Esi-11.882126 50417 55042 113156 81047 14871 1 149285 42105 76693 21307 30839 34084 30929 39440 19417 12417 89935 54790 52014 42742 29762 69120 20421 43415 50219 791.6818@0.87100005 1 6151 7280 5951 5747 1 8072 7208 7234 1 1 1 7534 6805 7054 7082 1 1 6186 1 1 6618 8756 1 6426 699.7115@0.874 1 1 1 7485 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7432 1 1 1 1 1 467.6931@0.8730001 7594 1 6584 7827 1 1 1 7274 1 1 1 1 1 1 1 1 1 1 5574 6322 1 1 1 1 1 392.0663@0.9370001 1 10910 1 6960 8945 1 7975 8427 1 8447 1 8122 7169 9285 11388 1 1 7391 10507 1 1 6866 8573 6865 9376 1007.2568@0.86 1 1 1 7208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6389 1 7842 1 6919 205.9515@1.0 26250 1 1 25745 1 1 1 1 1 1 1 28833 1 1 1 21634 23118 1 1 23166 1 19869 1 1 1 877.61@0.866 1 1 6914 7064 1 1 5553 1 6653 7464 1 5637 1 1 1 1 1 1 1 1 1 1 1 1 1 837.6275@0.866 1 1 6863 6688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.647@0.866 1 1 1 6190 1 1 1 1 1 1 1 6328 1 1 1 1 1 1 1 1 1 1 1 1 1 545.6271@0.876 7089 1 1 6075 1 1 5652 5876 1 1 1 6180 1 1 5968 1 1 1 1 1 1 1 1 1 1 1078.4407@0.8500001 1 7055 1 7088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6559 1 1 1 1 1 1 136.9184@0.7810001 1 1 6532 8414 1 1 1 1 1 1 1 1 1 6260 1 7137 8047 1 1 9740 5597 8485 1 1 5944 C27 H13 N8 O13 Esi-11.720127 39201 50018 191097 11439 57729 1 9072 43167 88835 47930 113927 39101 20581 56796 9048 15409 83996 95049 9392 48901 52296 49311 15126 50956 50905 625.3445@7.766999 24878 14134 14404 37046 7600 1 1 1 24659 10080 1 6766 1 6717 1 1 8153 36871 1 27288 1 1 39335 10819 19996 897.2883@0.84699994 1 1 1 6902 1 1 1 1 1 1 1 6645 6554 1 1 1 1 1 1 1 1 1 1 1 1 853.3861@0.875 1 5544 6860 6509 1 1 1 6380 1 1 1 6553 8707 1 1 1 1 9244 1 1 1 1 6611 7592 5689 1197.4244@0.84700006 6573 8488 1 7452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6418 6595 1 6440 1 1 1186.4279@0.84799993 1 7390 6371 6459 1 1 1 7574 8300 1 1 6832 7228 1 1 7055 1 1 1 1 6423 1 7927 1 6787 427.7112@0.87800014 7157 1 1 6792 1 1 1 5956 5802 1 1 1 6290 1 6278 1 1 1 1 1 1 1 6237 1 6026 1118.2618@0.85 6834 7045 8415 6953 6745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1231.0665@0.85 1 5868 1 6531 1 1 1 6093 1 6180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.129@13.358001:2 1 1 1 20286 1 1 1 16172 1 1 1 1 14225 1 11431 1 18360 15667 1 1 1 1 1 1 10080 1253.0643@0.848 6044 1 1 6508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318.1215@5.9460006:2 1 1 1 44150 1 1 1 1 19731 1 1 1 1 1 1 1 1 17207 1 1 1 1 1 1 1 895.5926@0.87700003 1 1 7955 7544 1 1 1 1 1 1 1 1 1 1 6875 1 1 1 1 1 1 1 1 1 1 1101.2612@0.85400003 1 1 6758 8032 1 1 1 7673 6104 1 1 1 1 1 7460 6962 1 1 6743 1 6003 1 1 1 6955 294.2188@10.788001 83666 1 32273 38533 1 1 1 1 1 1 1 26539 80345 1 1 1 1 1 46530 33106 1 1 1 56229 1 1134.2343@0.851 1 1 1 6150 1 1 1 1 1 1 1 1 1 1 6392 1 6800 1 1 6531 6853 1 7224 1 1 703.6421@0.86700004 1 6151 6956 6102 5963 1 1 5591 1 1 1 1 1 6669 1 1 1 1 1 5973 1 1 1 1 5922 725.4425@0.8809999 1 1 1 6070 1 1 1 5790 1 1 1 6946 1 1 5728 1 1 1 1 1 1 1 1 1 5780 708.0937@13.368 1 1 11360 15450 1 1 1 15880 1 1 1 1 1 1 1 1 1 13709 1 1 1 1 1 1 1 203.974@6.774666 40495 1 153617 146613 1 1 143184 112224 1 1 96997 1 1 180044 1 1 171988 1 1 38742 1 152226 78654 1 136716 759.606@0.86999995 1 5506 5787 6237 5853 1 6304 1 1 1 1 5735 1 5666 1 1 1 1 6181 1 1 1 5842 1 1 771.4194@0.877 1 1 5778 6485 1 1 1 5825 1 1 1 5781 1 1 1 1 1 1 1 1 1 1 1 1 1 369.7589@0.8820001 9005 1 1 6851 1 1 1 7482 1 1 1 1 7659 1 1 1 1 1 1 6318 1 1 1 1 1 615.5384@0.875 1 1 8410 8880 1 1 1 1 1 1 1 7225 1 1 1 1 1 1 1 1 1 1 8209 1 8745 246.044@1.0150001 28504 14571 6920 7023 11975 1 1 8195 11432 1 1 1 12418 1 11051 9629 1 1 15512 26545 1 13055 1 1 14413 751.1252@11.595134 40292 13859 1 10209 12536 1 1 1 1 1 1 1 27688 11733 34260 10579 1 12371 8762 11303 14642 11665 1 9496 8050 257.0905@13.368 1 1 1 14319 1 1 1 10590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1322.721@0.846 1 5984 1 6385 1 1 1 6553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 217.9419@2.933 1 1 148032 147516 1 1 1 1 1 22888 152243 77210 40347 1 168399 40933 115142 1 1 26697 1 22494 11125 219559 53844 170.8809@0.8719998 1 7094 9618 5850 1 1 9420 1 1 1 1 1 6054 6707 8096 9002 6899 1 1 6600 10187 9448 1 1 9012 158.0594@13.377999:2 1 1 9084 21022 1 1 12594 10784 20496 1 1 1 1 1 15610 10290 17581 1 1 1 1 1 1 1 1 316.1653@13.362 1 1 1 13044 1 1 1 1 21125 1 1 1 1 1 1 1 17378 1 1 1 1 1 1 1 1 533.9319@13.363999 1 1 1 18788 1 1 35783 1 37134 18096 60860 1 1 1 1 1 28593 1 13286 1 1 16647 1 1 1 294.2183@10.788001 1 1 26425 32470 1 1 1 1 1 1 1 23212 67282 1 1 1 1 1 38624 1 1 1 1 48115 1 C40 H21 N8 O4 S3 20636 27539 22211 23996 39500 1 22409 13798 1 37184 35621 23337 15371 29852 22589 17723 1 21163 23849 27118 25292 24560 25439 41688 40656 216.8755@1.005 18275 1 14361 22484 17513 1 16831 1 1 1 1 40712 1 8873 1 1 23299 12570 14767 22742 1 1 1 11569 15380 116.0285@1.3980001 1 1 1 11924 1 1 1 1 1 1 1 1 1 24366 1 1 1 1 1 1 44536 1 1 1 1 639.7394@0.86699986 1 9281 9250 10651 8860 1 9791 8985 6545 8961 1 8069 7977 8131 7412 5864 1 1 7469 1 6691 5512 1 1 6462 216.8739@1.0039998 17486 1 1 22015 16609 1 16623 1 1 1 1 39346 1 8606 1 1 1 12272 14520 21833 7493 1 6669 1 14824 232.0561@1.229 20093 1 10899 22902 9755 1 1 1 1 11065 1 12819 1 12747 1 10538 14619 10303 15947 13811 18233 12817 21856 16590 22012 967.0077@14.5339985 1 136007 1 1 3267140 1 371202 1 1 1 1 1 1 1 1 102443 1 360878 1 1 1 1 1 4527763 30948 967.0076@14.669 1 1 1 1 3328195 1 1 1 1 1 320744 1 1 1 1 95691 1 75322 1 153189 1 1 1 4527763 84612 967.0077@2.1512501 1 1 1 1 1 1 1 332721 1 6438771 1 1 1 4215058 1 1 1 1.56E+07 1 1 1 1 1 1 1 967.0078@3.6049998 523035 324354 1 1 1 1 1 1 1 1 1 1127958 405704 1 124681 1 1 523695 4830915 1 1 1 1 1 1 60.0216@0.9290001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9145144 1187834 1278852 1 1 1 1 1 1 1 956.9773@0.901 1 1 1 1 1 1 1 1 1 1 1 1 1 513899 455319 430918 855471 258570 325703 353689 377718 334554 307729 357563 308823 967.0079@14.359 1 136505 1 1 276413 1 304076 1 192551 1 1 1 1 1 1 1 818101 330434 57188 1 1 1 1 1.32E+07 139542 967.0077@11.904 1 1 87969 1 1 1 282088 1 1 794460 698271 1 1 1 98824 1 1 199622 1 1 1 1 1 1 1 979.9852@14.300874 1 1 21646 1 18413 1 1 1 17021 1 1 11052 80610 1 1 1 1 173563 84644 1 1 1 1 958252 1 967.0078@11.945 1 1 87969 1 1 1 1 1 1 794460 653974 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121963 16272 196394 239.0854@6.382 1 1 1 1 52025 1 1 39762 83168 43106 1 31420 1 1 75485 1 1 31849 1 1 28799 1 48505 31686 1 60.021@0.929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9145144 1 1278852 1 1 1 1 1 1 1 1034.9929@0.842 1 1 1 1 1 1 1 1 1 1 1 1 1 15152 11196 14743 39662 77487 45934 1 1 1 1 1 1 385.9419@11.467 9244 1 18433 1 1 1 16685 1 1 1 1 1 1 1 1 1 1 22697 1 1 1 1 1 1 22779 774.8643@0.84599996 33124 42628 1 1 1 1 1 1 40038 37701 1 48085 1 1 31327 46090 40589 54305 40832 41227 1 38693 51301 53686 58931 862.3508@0.84099996 9153 9780 1 1 8062 1 9383 1 1 7856 1 1 1 8344 1 8037 7428 46365 1 9350 1 1 1 47142 1 1233.7207@0.842 1 9601 1 1 8989 1 12143 1 1 13165 1 1 1 7936 1 1 12341 41078 1 1 1 1 1 42621 1 1036.7822@0.84000003 1 9125 1 1 5830 1 6204 1 1 1 1 1 1 1 1 1 5851 42515 1 6857 1 1 1 43102 1 970.8272@0.84000003 9717 8890 1 1 7407 1 9998 1 1 10599 1 1 6128 8496 1 1 11422 55745 1 1 1 1 1 55515 1 258.1076@3.971 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 49162 1 1 1 1 12677 1 1 956.9766@3.557 1 11872 1 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635.0934@13.611571 1 1 1 1 1 1 1 18809 15359 1 1 48109 1 1 26422 14987 1 17692 1 1 19498 1 1 1 1 169.085@0.86600006 38217 1 1 1 11200 1 20356 1 23762 1 1 1 14792 23136 1 1 1 17946 1 1 1 1 1 18777 14494 1613.9814@10.123 166619 1 1 1 1 1 1 1 1 1 9048 1 1 1 1 1 65117 17875 1 1 1 1 1 1 1 1032.3163@0.841 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26131 1 1 1 1 1 28870 1 237.0729@0.85099995 33672 1 1 1 9055 1 18616 1 19661 1 1 1 13700 21454 1 1 1 18364 1 1 1 1 1 18433 10607 635.0934@11.724 1 1 25557 1 1 1 1 1 1 35921 1 1 1 1 99318 1 1 38902 1 1 1 1 1 1 1 956.9771@1.962 1 1 1 1 1 1 1 1 1 302778 1 1 1 1 1 1 1 24347 6501 23429 1 1 1 1 1 1613.9799@4.688 1 1 1 1 1 1 1 1 1 1 1 16919 7640 1 1 18290 1 18669 1 160520 1 1 1 1 1 628.5452@0.84699994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15611 1 8428 1 1 1 15513 1 1132.2612@0.837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27570 1 1 1 1 1 26641 1 1153.2231@11.655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30334 27794 23151 20408 25040 23964 1 15779 19396 279.961@3.9630005 20384 27216 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21738 8386 1 7745 9775 1 20013 1 198.0889@5.8450003 26147 15511 1 1 9453 1 1 1 1 1 1 1 7352 7485 1 7847 1 8215 1 12061 1 1 1 1 7504 354.2395@8.2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11768 1 18401 17839 1 1 12631 1 1 1 > limit Esi-0.8430002 13625 12385 14380 1 1 1 12960 13451 11780 12850 1 1 11206 11231 1 12107 13364 20659 1 13009 12016 13146 12674 20356 1 824.1192@13.365999 1 10083 1 1 1 1 1 1 1 1 1 1 12700 1 12767 1 22319 14772 13769 1 1 1 16197 1 11140 540.2555@6.412 1 11916 1 1 11610 1 8610 1 8374 12217 1 7091 1 6845 17857 1 1 7998 1 1 23398 11423 18216 8317 14699 1142.2826@0.842 7777 6440 1 1 6249 1 1 1 1 7452 1 1 1 6520 1 6271 8190 17341 1 1 1 1 1 15281 1 801.3735@0.84 1 1 1 1 1 1 1 1 1 1 1 1 1 5985 1 1 6027 22960 1 1 1 1 1 20955 1 C37 H17 N8 O24 17276 17897 15491 1 17320 1 1 1 1 1 13435 12587 17953 16887 16831 11142 10442 15295 15375 16532 19654 21893 17442 16186 23515 757.9904@0.837 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18690 1 1 1 1 1 16396 1 571.0817@13.729998 28099 1 1 1 1 1 1 1 26292 1 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6669 1 12111 426.092@0.935 1 7392 1 1 1 1 7639 1 1 1 1 1 1 1 9196 8001 1 1 8442 1 1 1 1 6461 1 426.1304@1.1450001 1 1 1 1 7876 1 8258 1 8575 1 1 8177 8160 7569 1 1 1 1 6446 10074 8582 10102 7711 1 11680 827.9052@0.921 1 1 1 1 1 1 1 1 1 1 1 10014 1 1 1 1 1 1 9329 1 1 1 1 1 1 649.7639@0.86600006 1 1 1 1 1 1 11105 1 1 12199 1 1 8621 11128 1 8877 8408 1 11287 7990 1 9240 1 1 1 263.1376@13.628999 1 1 1 1 1 1 1 8608 1 7079 1 7512 1 1 1 12984 9202 1 6384 8261 1 1 6968 1 1 342.0844@1.231 1 1 1 1 1 1 8337 1 9360 1 1 1 1 1 1 1 1 1 6458 6701 1 6717 1 1 7424 646.1243@10.337999 7877 6698 1 1 1 1 8045 1 1 1 1 1 1 1 1 6190 1 1 8599 9825 7430 8066 7383 6704 7150 228.9017@0.784 1 1 1 1 8350 1 1 1 1 1 1 9537 1 7177 1 1 1 1 11319 1 1 6885 7561 1 11177 370.2344@7.079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 33022 1 13864 1 1 1 1 1 1 735.0862@11.8150015 45126 46840 1 1 40572 1 48111 1 1 1 31527 34568 26327 1 37220 1 1 1 54959 61616 9004 48857 41284 8155 18241 728.1592@11.757 7246 1 8925 1 1 1 1 1 1 1 1 1 1 1 1 1 9832 1 8246 1 1 1 1 1 1 1064.4578@0.844 1 1 1 1 1 1 1 1 1 7236 1 1 1 1 1 1 1 1 6378 1 1 1 1 1 1 193.9692@0.788 1 8425 1 1 1 1 1 7746 1 1 1 1 1 1 1 6803 1 1 8533 1 1 1 1 1 1 796.1464@11.757 6796 1 8266 1 1 1 1 1 1 1 1 1 1 1 1 1 9252 1 6601 1 1 1 1 1 1 636.7873@0.894 1 8406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9698 1 1 1 1 1 1 183.9041@0.782 1 1 1 1 1 1 1 6840 1 1 1 7519 6385 6794 6664 1 1 1 10689 6578 6957 7606 6781 1 9880 133.9881@0.79199994 1 7685 1 1 1 1 1 1 7916 7457 1 1 1 7192 1 1 1 1 9915 1 6578 1 1 1 7322 93.9272@0.78700006 6882 1 1 1 1 1 6590 1 1 1 1 7993 1 7095 1 6763 1 1 10362 7557 7274 6951 7291 1 8926 310.2138@8.44 16044 1 6895 1 1 1 1 1 1 1 1 1 10286 1 1 1 1 1 6521 7974 1 1 1 9748 1 1185.4146@0.847 6144 1 1 1 6540 1 1 7574 7898 1 1 6832 7633 1 1 6406 1 1 7033 1 7452 1 8084 1 1 652.7691@0.892 1 1 1 1 1 1 1 8078 1 1 1 1 1 1 1 1 1 1 8768 1 1 1 1 1 1 283.9181@0.849 1 1 1 1 1 1 1 11129 12785 1 1 1 1 1 1 1 1 1 11259 1 1 1 12056 1 11225 226.0703@1.08 1 1 1 1 1 1 93509 29876 1 1 1 1 11540 1 1 1 1 1 41367 1 1 45791 38968 1 36116 151.9575@0.7879999 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11363 1 1 1 11042 1 1 6817 1 1 1 > limit Esi-0.847 :8 7386 8623 6056 1 6196 1 7262 9345 8897 7453 1 7408 7377 7811 7610 8696 8160 1 8192 6862 8104 6366 7427 1 6807 711.8237@0.848 1 1 5968 1 1 1 1 1 1 1 1 1 6235 1 1 6320 1 1 6831 6632 1 1 7294 1 1 139.9138@0.78800005 6413 1 1 1 1 1 1 1 1 1 1 8004 1 1 1 1 1 1 8369 6756 7108 1 7069 1 9038 513.935@0.8249999 1 9543 1 1 1 1 1 1 5930 6460 1 1 1 6321 1 1 6480 1 8939 1 1 7186 1 1 1 1116.4429@0.8500001 5984 7383 7522 1 6202 1 6637 7560 1 1 1 1 6821 6865 1 7272 1 1 7462 6763 6451 6336 7045 1 1 663.9721@0.91600007 1 8626 7872 1 7207 1 8229 1 1 7341 1 7969 1 6562 7584 9482 1 1 7447 1 7625 6414 1 1 1 > limit Esi-0.8430002 :1 6754 7410 5729 1 8439 1 6918 1 7290 6852 1 7977 6292 6186 8786 7518 7528 1 6177 8225 6279 7347 7135 1 1 800.9487@0.934 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8945 7610 1 1 1 1 1 596.7934@0.9 1 1 1 1 1 1 1 9730 1 1 1 1 1 1 8539 1 1 1 12225 1 1 1 8469 1 8572 592.8096@0.8960001 1 1 1 1 1 1 1 8272 1 1 1 1 1 1 1 1 1 1 8458 1 1 1 1 1 7282 304.0757@1.229 1 5964 7306 1 1 1 1 6143 1 1 1 1 5931 1 6287 7963 7236 1 6378 1 7554 1 1 1 1 962.1482@0.945 1 1 1 1 1 1 1 6974 1 1 1 1 1 1 6466 1 1 1 6216 1 1 1 8063 1 1 1118.4272@0.8500001 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6395 1 1 8131 1 1 1 1 1 6699 477.1541@0.945 7118 6353 6121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6453 7049 1 1 1 1 1 825.3414@0.842 1 6534 8057 1 7159 1 6750 1 8755 7381 1 7663 7331 1 7546 6503 1 1 8135 6288 1 1 6045 1 6228 293.1062@1.262 13334 9742 1 1 10602 1 1 1 1 1 1 1 1 1 11838 7634 1 1 9396 8416 1 1 1 1 1 538.8455@0.90300006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7340 1 1 1 7939 1 8305 873.6524@0.86700004 1 8681 9283 1 1 1 1 1 7609 6644 1 6439 1 1 1 1 1 1 7366 1 1 1 1 1 1 224.1045@7.7251997 12090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8331 1 9862 8053 1 1 7242 1 1 1113.096@0.84999996 6107 6656 1 1 1 1 7661 1 1 1 1 1 6279 6760 1 1 1 1 6243 1 6674 1 1 6657 1 495.0423@1.197 1 1 1 1 1 1 1 1 1 1 1 1 1 6111 1 1 1 1 7799 1 1 1 1 1 1 1175.0887@0.8479999 6611 1 9289 1 6478 1 1 1 1 7926 1 7015 1 6795 1 6979 1 1 7182 6556 7009 6948 7260 1 1 1174.4209@0.848 7268 7580 6375 1 1 1 1 1 1 1 1 6307 1 1 1 1 1 1 6893 6645 1 1 1 1 1 869.5837@0.87099993 1 7135 1 1 1 1 6045 7204 1 6416 1 1 6458 1 1 6078 1 1 6243 1 1 1 1 1 1 1220.41@0.848 1 1 6922 1 6072 1 1 1 7276 1 1 1 1 1 1 1 1 1 7175 6061 1 1 6666 1 1 247.0741@1.025 1 1 1 1 1 1 1 6573 1 1 1 1 1 1 1 1 1 1 7149 1 1 1 1 1 1 1140.4077@0.847 1 7535 6421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7230 1 1 1 6606 1 1 1346.3993@0.84500015 6400 1 6227 1 6025 1 1 1 6097 1 1 1 1 1 6457 6864 7073 1 6671 1 6181 1 1 1 1 1185.0925@0.849 6325 1 1 1 1 1 1 1 6607 1 1 6668 7157 6071 7179 6790 6526 1 6411 6648 1 1 1 1 1 641.7838@0.879 7901 1 1 1 1 1 6891 6546 1 1 1 1 1 1 1 1 1 1 7320 1 1 1 8555 1 1 1134.4257@0.85099995 1 1 1 1 6919 1 7209 9666 1 7548 1 1 1 1 7119 1 1 1 6887 1 1 6893 1 1 1 1270.7256@0.8460001 6571 1 6608 1 1 1 6542 6533 1 1 1 1 1 1 7582 6324 1 1 6449 1 6948 1 6692 1 1 1122.4298@0.85099995 1 1 1 1 1 1 6956 7615 8450 1 1 1 6923 6539 1 7583 7532 1 7916 1 1 1 7231 8302 1 226.0676@1.079 1 8095 1 1 1 1 1 1 1 1 1 1 12230 1 1 1 1 1 42739 1 33953 47843 40814 1 1 1162.4264@0.84999996 1 7563 1 1 6401 1 1 7926 1 7374 1 1 1 7247 7887 6631 1 1 6980 8011 1 1 1 1 1 283.04@0.91 1 1 6199 1 1 1 6399 1 1 1 1 1 1 1 6376 1 1 1 6750 1 1 1 1 1 1 228.0387@1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6597 1 1 1 6223 1 6616 1 1 1 1 409.9178@0.827 1 1 1 1 1 1 1 1 7447 1 1 1 1 1 1 1 1 1 6588 1 1 1 1 1 1 849.6365@0.868 1 1 6176 1 1 1 6293 1 1 1 1 1 1 1 1 1 1 1 6090 1 1 1 1 1 1 527.0725@0.908 1 1 1 1 1 1 1 6181 6154 6276 1 1 1 6710 1 1 1 1 6721 1 1 1 1 1 1 1220.4207@0.84799993 1 1 6922 1 1 1 1 1 7276 1 1 1 1 1 1 1 1 1 7688 6523 1 1 6666 1 1 1248.3887@0.846 1 1 7559 1 1 1 1 1 6330 1 1 1 6506 1 1 1 1 1 6859 1 1 1 6598 1 1 208.0749@0.95839995 53883 6498 1 1 1 1 6943 6090 1 1 1 1 1 1 6950 9646 1 1 9850 12120 6983 1 1 6632 1 657.0621@11.885 29560 72659 1 1 31070 1 1 1 1 32008 1 1 38913 42091 19047 51221 1 1 49681 28567 8633 1 19964 44222 1 519.8915@0.852 1 9831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8142 1 1 1 1 1 1 967.0077@2.827 1 1 1 1 1 1 2990197 1 1108735 1 1 1 1 5507692 1 1 1 1 1 1 1 1 1 3966630 1 967.0078@7.6950912 93122 51952 1 1 1 1 1 316193 533524 1 815872 505755 479485 39318 1 342819 1 1 1 245300 1 1 63122 1 1 967.0079@6.6020007 1 1 170351 1 1 1 618341 99761 429919 1 157733 436253 1 1 1 1 1 1 1 155047 1 1 1 1 31471 967.0077@2.6727998 1 58339 1 1 1 1 1 1 194591 607216 1705115 1 1 960538 1 1 1 1 1 1 1 1 1 1 1 58.9826@12.895998 1 108912 1 1 1 1 24533 267302 82933 41196 1 1 380735 1 1 1 1 1 1 1 1 1 150211 1 1 247.0455@4.663001 52270 166690 20665 1 13010 1 37085 1 22865 8266 1 1 45696 24074 1 24387 1 1 1 11916 1 8940 14414 1 1 220.0036@4.417 14764 99808 13081 1 1 1 38271 22778 11214 13081 1 1 1 1 1 10666 1 1 1 1 1 11757 1 1 1 133.9991@6.343 37687 47166 44474 1 41728 1 41894 1 44770 44783 1 1 39331 39804 1 1 24141 1 1 1 121780 1 39514 1 1 983.9966@13.092 1 1 22586 1 1 1 14194 89273 22315 1 20510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9961@2.546 1 1 1 1 1 1 1 1 8294 1 7629 1 1 1 1 1 1 1 1 1 1 1 1 121873 1 983.9961@2.409 1 1 1 1 1 1 1 17608 8358 1 13176 1 1 1 1 1 1 1 1 1 1 11879 1 18726 1 979.9841@4.7449994 17218 1 1 1 1 1 17356 1 27353 1 1 73645 33785 1 1 1 1 1 1 1 1 150909 1 1 1 336.2295@10.304 96993 1 1 1 1 1 1 58945 52711 1 1 1 1 1 1 38226 87244 1 1 1 45669 1 1 30190 1 635.0938@13.743 1 1 1 1 1 1 1 1 44305 1 1 1 1 1 1 28252 1 1 1 1 1 1 1 1 1 143.9604@13.814001 1 1 142655 1 1 1 1 1 159885 1 1 1 1 1 105071 1 127025 1 1 81585 137859 1 95685 1 123425 956.9771@2.698 1 1 1 1 1 1 1 1 41648 38098 33159 1 1 92916 1 1 1 1 1 1 1 1 1 1 1 228.0452@6.9270005 1 1 9344 1 1 1 1 53640 15171 26488 1 1 1 1 1 12220 1 1 1 1 1 1 1 1 11761 983.9961@15.488 1 1 1 1 1 1 1 1 17339 1 1 25456 1 1 1 1 1 1 1 1 1 1 1 1 1 214.0285@6.511001 32155 25897 12264 1 16058 1 22553 27398 88192 12619 1 1 21804 18395 1 10490 1 1 1 11872 1 9095 1 14132 31681 635.094@13.270001 1 1 1 1 1 1 1 26276 43054 1 1 46857 1 1 1 27511 25491 1 1 1 1 1 1 1 1 270.8176@13.274 1 1 1 1 1 1 1 1 26642 1 1 1 1 1 1 1 44326 1 1 1 1 1 1 1 1 610.1176@12.947 1 1 1 1 1 1 11566 1 20277 1 1 1 1 1 1 1 10168 1 1 1 1 1 1 1 1 610.1162@13.977 1 1 1 1 1 1 1 1 12823 1 1 1 1 1 1 1 9928 1 1 1 1 1 1 1 1 272.8159@16.081 1 1 1 1 1 1 1 1 80255 1 1 87456 1 1 1 1 201178 1 1 1 1 74604 1 1 1 272.8156@15.777 31933 1 1 1 1 1 1 1 279263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 283.9473@13.447 1 1 1 1 1 1 1 137279 235942 1 1 1 1 1 137338 1 1 1 1 1 1 1 1 1 1 232.9433@13.49 1 1 1 1 1 1 1 1 25450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 239.9384@12.946 1 1 1 1 1 1 1 1 11110 1 1 1 1 1 1 1 8252 1 1 1 1 1 1 1 1 258.1828@9.204001 1 1 1 1 13636 1 1 1 13759 1 1 1 1 17895 1 1 1 1 1 14739 1 10647 11182 1 1 270.0617@1.024 1 1 1 1 1 1 1 1 9735 1 1 1 1 9514 1 1 1 1 1 11363 10436 1 16911 1 10770 981.0201@2.779 1 1 1 1 1 1 1 1 9850 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 649.9162@13.357 1 1 1 1 1 1 1 1 31721 1 1 1 1 1 1 1 23589 1 1 1 1 1 1 1 1 443.9005@12.945 110736 1 10496 1 1 1 1 1 17326 29559 1 1 1 1 1 1 11108 1 1 1 1 1 1 1 1 526.2757@6.611 1 9650 1 1 1 1 1 1 7821 1 1 1 1 1 1 1 1 1 1 1 13752 1 1 1 1 349.0811@0.94555557 9507 7967 1 1 1 1 1 8357 11566 1 1 1 1 1 1 17531 1 1 1 7323 10709 11345 8852 1 1 334.9448@12.947 1 1 33943 1 1 1 1 1 14827 1 1 1 1 1 1 1 11745 1 1 100994 1 1 1 1 1 419.9215@13.987 1 1 1 1 1 1 1 1 18191 1 1 1 1 1 1 1 1 1 1 1 1 10881 1 1 1 302.7901@13.786 1 1 1 1 1 1 1 1 26046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38381 1 178.009@0.966 1 1 1 1 1 1 10931 14451 13929 1 1 1 15110 1 1 7108 1 1 1 1 10032 13562 9722 1 12037 774.076@12.15 1 1 1 1 1 1 18359 1 66048 1 1 1 1 1 17174 1 26952 1 1 1 1 1 15956 1 1 448.0386@0.91599995 1 1 6330 1 1 1 1 1 8451 1 1 1 6362 1 9506 7695 1 1 1 1 12506 1 8576 1 13630 635.0934@13.270001 1 1 1 1 1 1 1 26276 43054 1 1 46857 1 1 1 27511 25491 1 1 1 1 1 1 1 1 156.053@0.988 1 1 1 1 1 1 1 1 13812 1 1 1 1 11419 1 8346 7209 1 1 1 13183 9585 10237 1 1 507.8954@0.8830001 1 1 1 1 1 1 1 11311 9220 1 1 1 1 1 1 1 1 1 1 1 1 1 13403 1 1 379.9817@0.96399987 1 1 12856 1 1 1 1 9749 11644 1 1 9668 1 1 11129 1 1 1 1 1 1 1 12499 1 10980 318.1791@13.366 1 1 1 1 1 1 1 1 19389 1 1 1 1 1 1 1 14035 1 1 1 1 1 1 1 1 772.1097@12.992 1 1 1 1 1 1 1 1 26800 1 1 1 1 1 1 1 19062 1 1 1 1 1 1 1 1 717.3071@8.96 1 1 1 1 1 1 1 12436 7855 1 1 1 1 1 1 1 8636 1 1 1 1 1 1 1 1 388.0886@0.941 1 1 1 1 1 1 1 1 7296 1 1 1 1 8422 1 1 1 1 1 1 1 6771 1 1 7408 587.3219@10.294 1 1 1 1 1 1 10592 1 12126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 621.682@0.86700004 1 9161 6732 1 1 1 1 1 7504 7997 1 1 1 7457 5935 1 1 1 1 1 1 1 8655 1 6665 754.028@0.893 1 1 1 1 1 1 1 1 8286 1 1 1 1 1 1 1 1 1 1 1 1 1 9930 1 1 263.1381@12.947 1 1 1 1 1 1 8467 1 16766 1 1 1 1 1 1 1 30079 1 1 1 1 1 1 1 1 184.1463@8.63 10561 1 7698 1 1 1 1 1 8153 1 1 1 1 1 1 1 9782 1 1 1 7284 1 1 1 1 543.9264@0.858 1 1 1 1 1 1 1 1 8082 8939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 273.9036@0.792 1 1 1 1 1 1 1 10592 10590 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11297 477.9488@0.887 1 1 1 1 1 1 1 1 10001 9424 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6405@0.875 1 7882 6598 1 1 1 1 8736 9470 8991 1 1 6473 7736 9036 1 1 1 1 1 1 1 7015 1 1 738.054@0.895 1 1 1 1 1 1 1 1 7674 1 1 1 1 7231 1 1 1 1 1 1 1 1 1 1 1 143.073@4.389 1 1 1 1 1 1 1 1 8032 1 1 1 1 1 1 1 1 1 1 1 9074 9271 1 1 1 324.0093@12.95 1 1 1 1 1 1 1 1 9718 1 1 1 1 1 1 1 21213 1 1 1 1 1 1 1 1 931.7142@0.85799986 1 5378 9326 1 1 1 6956 7656 9062 7211 1 6952 1 6983 6753 1 1 1 1 1 1 1 7817 1 9096 450.0355@0.916 1 1 1 1 1 1 1 1 6370 1 1 1 1 1 7101 1 1 1 1 1 8756 1 6670 1 8629 1112.4305@0.848 1 1 1 1 1 1 6069 8684 7496 1 1 1 7875 1 1 1 1 1 1 5943 1 1 6705 1 6960 847.6505@0.86700004 1 7629 8073 1 1 1 5252 5981 8479 6093 1 1 1 1 6933 1 1 1 1 1 1 5700 1 1 1 808.7841@0.855 1 1 6628 1 1 1 1 6380 5681 1 1 5340 6748 5661 1 1 1 1 1 1 7914 5890 1 1 7246 1226.4076@0.8460001 1 6696 7485 1 1 1 1 1 6577 1 1 6603 7132 6202 6692 7230 1 1 1 1 6762 1 6933 1 6516 883.3111@0.85 1 1 1 1 1 1 1 1 6157 1 1 1 1 1 8373 1 1 1 1 1 1 1 6523 1 8644 1249.0698@0.846 6234 6879 1 1 1 1 1 1 5820 6467 1 7184 1 6695 6707 6562 1 1 1 6540 7811 6845 6654 1 7961 1333.3876@0.846 1 1 1 1 1 1 1 1 6125 1 1 1 1 1 1 6203 1 1 1 1 6288 1 1 1 1 1096.4294@0.847 1 7370 1 1 1 1 1 6973 7416 1 1 1 1 1 6218 7205 1 1 1 1 1 1 1 1 1 836.7809@0.856 1 1 1 1 1 1 1 6219 6200 1 1 1 1 1 5714 1 1 1 1 1 1 1 1 1 7407 1090.4272@0.849 1 1 1 1 1 1 7759 8221 7198 1 1 1 1 6908 1 1 1 1 1 1 1 1 1 1 5878 1277.0603@0.848 1 1 1 1 1 1 1 1 6593 1 1 1 1 1 6862 6399 1 1 1 1 1 1 1 1 5993 1335.0555@0.848 1 1 1 1 1 1 1 1 6263 1 1 1 1 6520 1 1 1 1 1 1 1 6340 6083 1 1 1100.4185@0.849 1 1 1 1 1 1 1 1 6502 1 1 1 1 1 6126 1 1 1 1 6163 1 1 1 1 1 958.9753@2.601 1 1 1 1 1 1 1 1 12913 1 43656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 983.9971@2.7960002 1 1 1 1 1 1 9649 1 6761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186967 1 1084.433@0.849 6770 1 1 1 1 1 6247 6635 6397 1 1 6634 1 7227 1 1 1 1 1 1 1 1 1 1 1 649.9183@13.357 1 1 1 1 1 1 1 1 31721 1 1 1 1 1 1 1 23545 1 1 1 1 1 1 1 1 133.9987@6.315 45994 47166 44751 1 41728 1 41894 1 43082 44783 1 1 39331 39804 1 1 15694 1 1 1 121780 1 39514 1 1 70.0031@6.2589993 1 1 1 1 1 1 1 15847 54672 1 1 1 1 1 23775 1 1 1 1 1 1 13621 49636 1 55505 258.1824@9.204 1 1 1 1 13636 1 1 1 13759 1 1 1 1 17728 1 1 1 1 1 14739 1 1 11182 1 1 967.0077@7.802 1 1 1 1 1 1 1 1 1 1 1 1 530298 1 1 332560 1 1 1 249435 1 1 1 1 1 967.0077@5.9329996 460819 1 1 1 68869 1 1 1 1 567954 1 1 572406 147923 162543 314584 1176877 1 1 126552 1 1 1 1 1 205.9881@3.587 16108 548780 1 1 1 1 145162 1 1 34988 1 1 1 1 10138 31326 1 1 1 12333 1 1 1 1 1 806.9919@1.854 1 1 1 1 1 1 1 1 1 2880861 1 1 1 1 1 1 1 1 1 213498 1 1 1 1 55692 97.9753@0.906 1 1 1 1 1 1 1 1 1 1 1 287552 1 1 1 1 1 1 1 322105 1 1 1 1 1 174.9937@1.2329999 168018 24188 1 1 1 1 9417 1 1 1 1 1 1 1 1 38045 1 1 1 8654 1 122841 8194 1 1 231.0197@4.8839993 118480 1 1 1 1 1 81120 1 1 34522 1 1 8695 1 1 1 11539 1 1 124153 1 1 52459 12350 1 1613.9805@14.665333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15575 1 1 1 9248 1 1 1 122455 1 369.904@9.246 1 1 1 1 1 1 34054 1 1 93774 1 1 1 65998 1 1 1 1 1 10567 1 1 1 1 1 1613.9799@16.311 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 183591 82443 1 1 20769 1 1 1 1 1 979.9839@10.272 304825 1 1 1 1 1 108797 1 1 1 62339 1 1 42600 117627 1 68231 1 1 76782 1 259618 1 1 178333 958.9754@1.647 1 1 1 1 1 1 1 1 1 99300 1 1 1 1 1 1 1 1 1 20541 1 1 1 1 31123 482.2874@9.246001 1 21962 1 1 1 1 1 1 1 57902 1 8473 8574 10362 1 7416 1 1 1 12057 1 1 1 35513 59672 152.0467@5.2070003 29940 1 1 1 21315 1 1 1 1 1 1 1 1 1 1 18821 21161 1 1 15048 43377 1 1 1 1 1613.9814@13.172 1 1 1 1 1 1 1 23683 1 1 1 1 1 1 1 10222 32371 1 1 10330 1 1 1 1 1 979.9836@5.506 1 53248 1 1 1 1 23832 1 1 1 1 1 17727 1 1 18295 1 1 1 70987 1 1 1 1 1 149.0505@1.2299999 1 30446 10909 1 40072 1 38555 1 1 13974 1 1 1 1 8805 1 1 1 1 9694 12027 1 25095 1 21077 132.0525@0.8920001 1 18926 1 1 34725 1 18593 1 1 1 1 1 1 16242 1 1 1 1 1 15361 15339 1 11157 1 6252 188.1412@7.8089995 155985 112495 1 1 1 1 1 1 1 127619 1 1 1 1 1 1 1 1 1 36139 140893 1 1 1 1 785.084@13.557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22847 1 1 1 1 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