smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(C)c1 ZINC000005906582 204157433 /nfs/dbraw/zinc/15/74/33/204157433.db2.gz DHUZUOYIYPSBOD-UHFFFAOYSA-N 0 1 380.400 2.722 50 10 GFCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000009348914 204308615 /nfs/dbraw/zinc/30/86/15/204308615.db2.gz DIASJXVRAARSKU-UHFFFAOYSA-N 0 1 386.791 2.677 50 10 GFCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccncc4)C3)CC2)cc1 ZINC000064131819 136156727 /nfs/dbraw/zinc/15/67/27/136156727.db2.gz GOLCTOJIIGFHHV-HXUWFJFHSA-N 0 1 380.492 2.517 50 10 GFCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001195138 536598443 /nfs/dbraw/zinc/59/84/43/536598443.db2.gz KWUCFKXODXVEKB-MHWRWJLKSA-N 0 1 382.441 2.844 50 10 GFCAMN COc1cc(Br)cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c1O ZINC000018218196 551113760 /nfs/dbraw/zinc/11/37/60/551113760.db2.gz FCPBUDBBAKOAKP-AWEZNQCLSA-N 0 1 388.225 2.609 50 10 GFCAMN CN(C)c1ccc([C@@H](CNC(=O)NC2CCCCC2)N2CCN(C)CC2)cc1 ZINC000022417536 570889881 /nfs/dbraw/zinc/88/98/81/570889881.db2.gz HBFPUPNUUFVARC-OAQYLSRUSA-N 0 1 387.572 2.673 50 10 GFCAMN COc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 ZINC000004819381 204079628 /nfs/dbraw/zinc/07/96/28/204079628.db2.gz HMDPMSSIPLNPBJ-OAQYLSRUSA-N 0 1 382.504 2.746 50 10 GFCAMN CC(=O)Nc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009089830 204298138 /nfs/dbraw/zinc/29/81/38/204298138.db2.gz AJRUFIHVYJZQEG-MHWRWJLKSA-N 0 1 398.419 2.528 50 10 GFCAMN CN1CCN([C@H](CNC(=O)c2cccs2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734779 136204621 /nfs/dbraw/zinc/20/46/21/136204621.db2.gz YPULMPNGJODRNG-HXUWFJFHSA-N 0 1 398.576 2.849 50 10 GFCAMN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000100727523 570435889 /nfs/dbraw/zinc/43/58/89/570435889.db2.gz AHITVKXZFHBIHN-UHFFFAOYSA-N 0 1 383.473 2.980 50 10 GFCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 ZINC000055370574 570693171 /nfs/dbraw/zinc/69/31/71/570693171.db2.gz QNJVKRWROMTWGH-FQEVSTJZSA-N 0 1 394.519 2.825 50 10 GFCAMN COc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000013546927 570757397 /nfs/dbraw/zinc/75/73/97/570757397.db2.gz ICSVYTZXAXAZMW-DHDCSXOGSA-N 0 1 384.363 2.505 50 10 GFCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1OC ZINC000013775638 570789413 /nfs/dbraw/zinc/78/94/13/570789413.db2.gz TVQLDDBXYZVHHN-KAMYIIQDSA-N 0 1 388.420 2.507 50 10 GFCAMN CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005098862 204111643 /nfs/dbraw/zinc/11/16/43/204111643.db2.gz KISCLWNUXKBHCJ-HXUWFJFHSA-N 0 1 391.537 2.733 50 10 GFCAMN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000048367485 570246832 /nfs/dbraw/zinc/24/68/32/570246832.db2.gz AAJFKKUXMFHAAH-OAHLLOKOSA-N 0 1 398.463 2.846 50 10 GFCAMN COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(O)c1 ZINC000022853412 570331406 /nfs/dbraw/zinc/33/14/06/570331406.db2.gz YIALBQZDFDJXAA-QGZVFWFLSA-N 0 1 392.446 2.748 50 10 GFCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CCN(C)CC3)ccc21 ZINC000022733658 570541520 /nfs/dbraw/zinc/54/15/20/570541520.db2.gz KPGVNBVKXWQMTE-JOCHJYFZSA-N 0 1 396.510 2.537 50 10 GFCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330499 570574567 /nfs/dbraw/zinc/57/45/67/570574567.db2.gz ULKRVZKJAJDTOC-NRFANRHFSA-N 0 1 394.519 2.953 50 10 GFCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)N2CCCC2)cc1 ZINC000004330577 570575081 /nfs/dbraw/zinc/57/50/81/570575081.db2.gz LSUGNHSCOBDHBK-FQEVSTJZSA-N 0 1 380.492 2.644 50 10 GFCAMN COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S ZINC000004739253 204072381 /nfs/dbraw/zinc/07/23/81/204072381.db2.gz HBPLTCWYKOASTA-DHZHZOJOSA-N 0 1 388.832 2.886 50 10 GFCAMN COc1cccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)NC2=S)c1 ZINC000006786896 204205565 /nfs/dbraw/zinc/20/55/65/204205565.db2.gz FXYWKBAADFLGAG-RAXLEYEMSA-N 0 1 378.413 2.814 50 10 GFCAMN COc1ccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)NC2=S)cc1 ZINC000006786725 204206534 /nfs/dbraw/zinc/20/65/34/204206534.db2.gz UAFZSDZPKAWSIO-RAXLEYEMSA-N 0 1 378.413 2.814 50 10 GFCAMN CC(=O)Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000009111562 204299387 /nfs/dbraw/zinc/29/93/87/204299387.db2.gz XVKBZOYYJCOJCM-SSZFMOIBSA-N 0 1 396.447 2.910 50 10 GFCAMN COc1ccc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000011853378 204357531 /nfs/dbraw/zinc/35/75/31/204357531.db2.gz ZWKIZVCNSPYWLS-UHFFFAOYSA-N 0 1 383.492 2.646 50 10 GFCAMN COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 ZINC000100401514 136189111 /nfs/dbraw/zinc/18/91/11/136189111.db2.gz WKWMIEMGDCWMFA-KAMYIIQDSA-N 0 1 397.456 2.756 50 10 GFCAMN Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CC[NH+](C)CC4)o3)C2=O)c1 ZINC000025180163 524534155 /nfs/dbraw/zinc/53/41/55/524534155.db2.gz SWBDMHJCXXGUKO-GHRIWEEISA-N 0 1 394.431 2.847 50 10 GFCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000653726 570214267 /nfs/dbraw/zinc/21/42/67/570214267.db2.gz QWWCFUGGDAQZJN-NTUHNPAUSA-N 0 1 386.816 2.900 50 10 GFCAMN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccccc1 ZINC000000726015 570306925 /nfs/dbraw/zinc/30/69/25/570306925.db2.gz KAGAMCCGZCDKMX-GXDHUFHOSA-N 0 1 390.180 2.753 50 10 GFCAMN Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330621 570575112 /nfs/dbraw/zinc/57/51/12/570575112.db2.gz IARCDNJWUSTONF-OAQYLSRUSA-N 0 1 394.519 2.953 50 10 GFCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 ZINC000055370577 570693144 /nfs/dbraw/zinc/69/31/44/570693144.db2.gz QNJVKRWROMTWGH-HXUWFJFHSA-N 0 1 394.519 2.825 50 10 GFCAMN CCc1nc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n[nH]1 ZINC000014709519 570716675 /nfs/dbraw/zinc/71/66/75/570716675.db2.gz AGBFHDBMXALHIP-UHFFFAOYSA-N 0 1 392.440 2.873 50 10 GFCAMN CCc1n[nH]c(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000014709519 570716678 /nfs/dbraw/zinc/71/66/78/570716678.db2.gz AGBFHDBMXALHIP-UHFFFAOYSA-N 0 1 392.440 2.873 50 10 GFCAMN Cc1cc(=O)oc2c(C)c([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409413650 231202406 /nfs/dbraw/zinc/20/24/06/231202406.db2.gz JQWPLZQCYRQAOX-CVEARBPZSA-N 0 1 392.455 2.896 50 10 GFCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1O ZINC000004689866 204064248 /nfs/dbraw/zinc/06/42/48/204064248.db2.gz LLEUXCSBGQWHDV-NTEUORMPSA-N 0 1 382.441 2.849 50 10 GFCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006169178 204168183 /nfs/dbraw/zinc/16/81/83/204168183.db2.gz GLJURYRWEQCABW-UYRXBGFRSA-N 0 1 398.488 2.964 50 10 GFCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000015800017 204578811 /nfs/dbraw/zinc/57/88/11/204578811.db2.gz YHMGRTBDXVRWDA-BOPFTXTBSA-N 0 1 397.431 2.796 50 10 GFCAMN O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000065256988 205223604 /nfs/dbraw/zinc/22/36/04/205223604.db2.gz HMKOGLNZHQXQCJ-KRWDZBQOSA-N 0 1 386.883 2.701 50 10 GFCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1Cl ZINC000001194312 570713735 /nfs/dbraw/zinc/71/37/35/570713735.db2.gz AIXUOIQSOAMBHU-UHFFFAOYSA-N 0 1 386.791 2.677 50 10 GFCAMN C[C@H](NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccccc1 ZINC000017027250 570937469 /nfs/dbraw/zinc/93/74/69/570937469.db2.gz WBSKXLXJKAQVAA-ZDUSSCGKSA-N 0 1 393.399 2.533 50 10 GFCAMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000009356846 204308915 /nfs/dbraw/zinc/30/89/15/204308915.db2.gz JXTCMUNQMBEJOK-RVDMUPIBSA-N 0 1 385.420 2.850 50 10 GFCAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCN(C)CC3)ccc21 ZINC000022733661 205964095 /nfs/dbraw/zinc/96/40/95/205964095.db2.gz RLTCVJSFXZHJFC-QFIPXVFZSA-N 0 1 396.510 2.537 50 10 GFCAMN Cc1ccc(C)c(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 ZINC000002977053 206212905 /nfs/dbraw/zinc/21/29/05/206212905.db2.gz OIGPMVJXODDVQX-UHFFFAOYSA-N 0 1 380.400 2.511 50 10 GFCAMN CN1CCN([C@H](CNC(=O)c2ccccc2)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734857 136204558 /nfs/dbraw/zinc/20/45/58/136204558.db2.gz BUFLLWSYCJVTBD-HSZRJFAPSA-N 0 1 392.547 2.788 50 10 GFCAMN CCOc1cccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1O ZINC000020118491 570241507 /nfs/dbraw/zinc/24/15/07/570241507.db2.gz XUDDVNUVYXAABR-FQEVSTJZSA-N 0 1 385.508 2.563 50 10 GFCAMN Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000002978212 570321484 /nfs/dbraw/zinc/32/14/84/570321484.db2.gz FEGBDSYDICMBLY-UHFFFAOYSA-N 0 1 377.375 2.887 50 10 GFCAMN CC1=NN(c2nn[nH]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000012412863 570419148 /nfs/dbraw/zinc/41/91/48/570419148.db2.gz LFGHRKRFYYRIMG-XFFZJAGNSA-N 0 1 399.754 2.827 50 10 GFCAMN CN1CCc2cc([C@H](CNC(=O)C3CCCCC3)N3CCN(C)CC3)ccc21 ZINC000022733633 570541531 /nfs/dbraw/zinc/54/15/31/570541531.db2.gz YOQJMFIDJOPOML-QFIPXVFZSA-N 0 1 384.568 2.664 50 10 GFCAMN COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000001193130 570713691 /nfs/dbraw/zinc/71/36/91/570713691.db2.gz JIIXUHQEMQVEID-UHFFFAOYSA-N 0 1 386.791 2.677 50 10 GFCAMN CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)N2CCN(C)CC2)cc1 ZINC000022418594 205952828 /nfs/dbraw/zinc/95/28/28/205952828.db2.gz XUJAWIIEXXJLCD-QFIPXVFZSA-N 0 1 395.551 2.541 50 10 GFCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000013773803 136201379 /nfs/dbraw/zinc/20/13/79/136201379.db2.gz XOYHQOIXIIIRHD-ZROIWOOFSA-N 0 1 398.440 2.544 50 10 GFCAMN COc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023129803 570345797 /nfs/dbraw/zinc/34/57/97/570345797.db2.gz OSODXLBUXSYQFB-KRWDZBQOSA-N 0 1 392.446 2.748 50 10 GFCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCc1ccc(F)cc1 ZINC000100401312 570358678 /nfs/dbraw/zinc/35/86/78/570358678.db2.gz GXHHFNLDLPVBNI-JXAWBTAJSA-N 0 1 385.439 2.811 50 10 GFCAMN COc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1OC ZINC000016183830 570916360 /nfs/dbraw/zinc/91/63/60/570916360.db2.gz HIOQLJQHWLEQRE-WJDWOHSUSA-N 0 1 398.390 2.547 50 10 GFCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)ccc1O ZINC000004690268 204064694 /nfs/dbraw/zinc/06/46/94/204064694.db2.gz WAIPVYPGVKVWQF-RIYZIHGNSA-N 0 1 386.404 2.761 50 10 GFCAMN COCCN1C(=O)C(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)SC1=S ZINC000005530920 204139334 /nfs/dbraw/zinc/13/93/34/204139334.db2.gz PXFZJSXNFPFWNJ-UVTDQMKNSA-N 0 1 375.475 2.734 50 10 GFCAMN COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000009108870 204298573 /nfs/dbraw/zinc/29/85/73/204298573.db2.gz GVUVCXVCFPFFEE-SFQUDFHCSA-N 0 1 383.473 2.583 50 10 GFCAMN Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000002977595 209118998 /nfs/dbraw/zinc/11/89/98/209118998.db2.gz WJIQIVHHTOSRJF-UHFFFAOYSA-N 0 1 380.400 2.511 50 10 GFCAMN COc1ccc(N2C(=O)C(=CNc3cccc(N(C)C)c3)C(=O)NC2=S)cc1 ZINC000002892778 570317496 /nfs/dbraw/zinc/31/74/96/570317496.db2.gz ZHBBSHVIMROJFJ-ATVHPVEESA-N 0 1 396.472 2.505 50 10 GFCAMN COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2 ZINC000012467493 570671826 /nfs/dbraw/zinc/67/18/26/570671826.db2.gz AJVXTWCIANLWRV-AUWJEWJLSA-N 0 1 396.424 2.564 50 10 GFCAMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O ZINC000001200336 206366399 /nfs/dbraw/zinc/36/63/99/206366399.db2.gz OYCGQTWXNBSRKM-MDWZMJQESA-N 0 1 389.205 2.625 50 10 GFCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCSC)C3)CC2)cc1 ZINC000019837892 207166056 /nfs/dbraw/zinc/16/60/56/207166056.db2.gz BZTWPKRUVZCDEG-SFHVURJKSA-N 0 1 377.554 2.561 50 10 GFCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc[nH]c1=O ZINC000085875490 570262883 /nfs/dbraw/zinc/26/28/83/570262883.db2.gz XRDUIPMBHJBVSZ-UHFFFAOYSA-N 0 1 392.371 2.971 50 10 GFCAMN COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccccc1Cl ZINC000002775425 570515733 /nfs/dbraw/zinc/51/57/33/570515733.db2.gz ODAAVUONNJCGRA-UHFFFAOYSA-N 0 1 386.791 2.677 50 10 GFCAMN Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 ZINC000008837312 570542270 /nfs/dbraw/zinc/54/22/70/570542270.db2.gz FXXQPDDEIOQLBR-VBKFSLOCSA-N 0 1 397.456 2.667 50 10 GFCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000004330501 570574782 /nfs/dbraw/zinc/57/47/82/570574782.db2.gz ULKRVZKJAJDTOC-OAQYLSRUSA-N 0 1 394.519 2.953 50 10 GFCAMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1O ZINC000012868126 570725736 /nfs/dbraw/zinc/72/57/36/570725736.db2.gz ZPVIXJXRGAIQCQ-KPKJPENVSA-N 0 1 378.812 2.849 50 10 GFCAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731941 570766900 /nfs/dbraw/zinc/76/69/00/570766900.db2.gz PYABLLZFIORIDT-ZBFHGGJFSA-N 0 1 392.455 2.842 50 10 GFCAMN COc1ccc(OC)c(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1 ZINC000002316139 136193466 /nfs/dbraw/zinc/19/34/66/136193466.db2.gz DPUKJPCOFBLQDB-VWQNNZLTSA-N 0 1 384.413 2.684 50 10 GFCAMN COc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1 ZINC000002977358 570321459 /nfs/dbraw/zinc/32/14/59/570321459.db2.gz JAUMTELAHYZCNS-UHFFFAOYSA-N 0 1 382.372 2.743 50 10 GFCAMN CN1CCc2cc([C@H](CNC(=O)NC3CCCCC3)N3CCN(C)CC3)ccc21 ZINC000035597251 570399877 /nfs/dbraw/zinc/39/98/77/570399877.db2.gz YVVBNPVEDFOWIC-QFIPXVFZSA-N 0 1 399.583 2.599 50 10 GFCAMN CCc1cc(C(=O)COc2ccccc2)c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1O ZINC000005092957 570541144 /nfs/dbraw/zinc/54/11/44/570541144.db2.gz MLXYYCAWSWRSNG-GOSISDBHSA-N 0 1 399.443 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COC(=O)c1cc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc(C(=O)OC)c1 ZINC000006366405 570545900 /nfs/dbraw/zinc/54/59/00/570545900.db2.gz WXVMIBJWMBRTJM-PDGQHHTCSA-N 0 1 393.399 2.978 50 10 GFCAMN COC(=O)c1cc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc(C(=O)OC)c1 ZINC000006366405 570545903 /nfs/dbraw/zinc/54/59/03/570545903.db2.gz WXVMIBJWMBRTJM-PDGQHHTCSA-N 0 1 393.399 2.978 50 10 GFCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000101346769 570820975 /nfs/dbraw/zinc/82/09/75/570820975.db2.gz VLNVQSCPPZVTRG-WQLSENKSSA-N 0 1 396.338 2.622 50 10 GFCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(I)c1 ZINC000016488400 221364120 /nfs/dbraw/zinc/36/41/20/221364120.db2.gz JAGUDTQMBCOXJX-UVTDQMKNSA-N 0 1 390.180 2.753 50 10 GFCAMN Cc1cc(C)cc(N2C(=O)C(=CNCCc3ccccc3)C(=O)NC2=S)c1 ZINC000101184202 136196122 /nfs/dbraw/zinc/19/61/22/136196122.db2.gz JZTWTWZSWPYUDT-QGOAFFKASA-N 0 1 379.485 2.767 50 10 GFCAMN CSc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000067621563 222152163 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50 10 GFCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccccc1F ZINC000005024607 570399189 /nfs/dbraw/zinc/39/91/89/570399189.db2.gz IRZWBSFVDXWTFQ-BOPFTXTBSA-N 0 1 393.374 2.931 50 10 GFCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCCC2)cc1 ZINC000004330556 570574512 /nfs/dbraw/zinc/57/45/12/570574512.db2.gz JBZWDJIIJBEURC-FQEVSTJZSA-N 0 1 398.482 2.784 50 10 GFCAMN CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)N2CCCC2)cc1 ZINC000004330540 570574576 /nfs/dbraw/zinc/57/45/76/570574576.db2.gz SZXKNIUWYQKJNH-FQEVSTJZSA-N 0 1 398.482 2.784 50 10 GFCAMN CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)N2CCCC2)cc1 ZINC000004330551 570574839 /nfs/dbraw/zinc/57/48/39/570574839.db2.gz JBZWDJIIJBEURC-HXUWFJFHSA-N 0 1 398.482 2.784 50 10 GFCAMN CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000004455976 570785078 /nfs/dbraw/zinc/78/50/78/570785078.db2.gz UMQPKRNOZUUTGA-NTEUORMPSA-N 0 1 386.795 2.776 50 10 GFCAMN C[C@H](CCc1ccccc1)NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000008243682 221032855 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