smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)s1 ZINC000430986364 933611415 /nfs/dbraw/zinc/61/14/15/933611415.db2.gz CUGHNDRHJFYVEA-NSHDSACASA-N -1 2 371.505 3.731 20 0 FHADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000582426147 935693337 /nfs/dbraw/zinc/69/33/37/935693337.db2.gz BWMRTPPHVGOJKK-UHFFFAOYSA-N -1 2 371.817 3.687 20 0 FHADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000181770619 941382935 /nfs/dbraw/zinc/38/29/35/941382935.db2.gz KLEVTGUNFYZTKT-GFCCVEGCSA-N -1 2 351.399 3.513 20 0 FHADLM Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C)sc1C(=O)[O-] ZINC000048382851 946654277 /nfs/dbraw/zinc/65/42/77/946654277.db2.gz MEBLRLQNINOXDE-UHFFFAOYSA-N -1 2 369.464 3.651 20 0 FHADLM COC(=O)c1nc2ccc(NCc3c(C)cc(Cl)cc3Cl)nc2[nH]1 ZINC001167795708 947700102 /nfs/dbraw/zinc/70/01/02/947700102.db2.gz KGMBVHKOKIVVIJ-UHFFFAOYSA-N -1 2 365.220 3.972 20 0 FHADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000390952243 599852744 /nfs/dbraw/zinc/85/27/44/599852744.db2.gz ITZOXFYVWMCNHD-UHFFFAOYSA-N -1 2 374.245 3.811 20 0 FHADLM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000737337363 600101303 /nfs/dbraw/zinc/10/13/03/600101303.db2.gz ZGKQAYQYDGZEAV-UHFFFAOYSA-N -1 2 365.183 3.521 20 0 FHADLM Cc1ccsc1S(=O)(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738798873 600893729 /nfs/dbraw/zinc/89/37/29/600893729.db2.gz QQFUVAPRAHKOTR-UHFFFAOYSA-N -1 2 371.505 3.565 20 0 FHADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cs1 ZINC000833306059 600977613 /nfs/dbraw/zinc/97/76/13/600977613.db2.gz ALFKGDQEVURQRP-UHFFFAOYSA-N -1 2 374.852 3.510 20 0 FHADLM Cc1cccc2sc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)nc21 ZINC000832975089 601359010 /nfs/dbraw/zinc/35/90/10/601359010.db2.gz YYLFATYTZZAXOQ-JXMROGBWSA-N -1 2 374.443 3.503 20 0 FHADLM O=C([O-])c1csc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000833343568 602118530 /nfs/dbraw/zinc/11/85/30/602118530.db2.gz IEUBOVVZHYEXGU-UHFFFAOYSA-N -1 2 352.220 3.554 20 0 FHADLM Cc1[nH]c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2[nH+]1 ZINC000536192134 938541247 /nfs/dbraw/zinc/54/12/47/938541247.db2.gz KHIPPLWBFHDNPG-UHFFFAOYSA-N -1 2 371.340 3.571 20 0 FHADLM O=C([O-])c1sc2ccccc2c1CNC(=O)c1c(O)cc(F)cc1F ZINC000740280061 599882405 /nfs/dbraw/zinc/88/24/05/599882405.db2.gz GRTDKSXLEKKRQW-UHFFFAOYSA-N -1 2 363.341 3.513 20 0 FHADLM CCSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737230296 600258679 /nfs/dbraw/zinc/25/86/79/600258679.db2.gz TWJXCUDGVOGMEF-UHFFFAOYSA-N -1 2 373.402 3.576 20 0 FHADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000740140184 600473234 /nfs/dbraw/zinc/47/32/34/600473234.db2.gz DDSUIMYODQVEIP-UHFFFAOYSA-N -1 2 374.852 3.510 20 0 FHADLM Cc1cccc(Oc2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509596834 600671384 /nfs/dbraw/zinc/67/13/84/600671384.db2.gz VDDBUMJZKGKHSN-UHFFFAOYSA-N -1 2 372.402 3.614 20 0 FHADLM CCSCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737231212 600896983 /nfs/dbraw/zinc/89/69/83/600896983.db2.gz HUNQYISMGPJPHB-UHFFFAOYSA-N -1 2 357.478 3.500 20 0 FHADLM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-] ZINC000827456654 604278986 /nfs/dbraw/zinc/27/89/86/604278986.db2.gz ZTRJPSSBZVBBOR-NSHDSACASA-N -1 2 365.788 3.548 20 0 FHADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000833449103 604927618 /nfs/dbraw/zinc/92/76/18/604927618.db2.gz HCNSOWZAYQSUEW-UHFFFAOYSA-N -1 2 354.453 3.936 20 0 FHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000548149683 931410159 /nfs/dbraw/zinc/41/01/59/931410159.db2.gz SLQQOPWVLXRYNE-UHFFFAOYSA-N -1 2 369.464 3.559 20 0 FHADLM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435501569 943458093 /nfs/dbraw/zinc/45/80/93/943458093.db2.gz MMFUDUWOHHXCAI-UHFFFAOYSA-N -1 2 364.181 3.632 20 0 FHADLM C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)[C@@H]2C1 ZINC000436968807 944850628 /nfs/dbraw/zinc/85/06/28/944850628.db2.gz VNUKCBGDZPGEGZ-HNAYVOBHSA-N -1 2 370.880 3.879 20 0 FHADLM O=C([O-])c1csc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000015243322 206314841 /nfs/dbraw/zinc/31/48/41/206314841.db2.gz IBMXJGGFVGJXDR-UHFFFAOYSA-N -1 2 352.220 3.554 20 0 FHADLM O=C([O-])CCN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(F)c1 ZINC000833231849 600975224 /nfs/dbraw/zinc/97/52/24/600975224.db2.gz CDVWQQIKYMBTGH-DENIHFKCSA-N -1 2 367.420 3.928 20 0 FHADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)c1C(=O)[O-] ZINC000832898180 600988290 /nfs/dbraw/zinc/98/82/90/600988290.db2.gz FHRZVFYHQYZZJY-UHFFFAOYSA-N -1 2 374.418 3.560 20 0 FHADLM Cc1cc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c(C(=O)[O-])[nH]1 ZINC000832899767 601234041 /nfs/dbraw/zinc/23/40/41/601234041.db2.gz QCCYMVBZGZZOLD-UHFFFAOYSA-N -1 2 370.839 3.690 20 0 FHADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000833345987 601603168 /nfs/dbraw/zinc/60/31/68/601603168.db2.gz CNBYAJYRIRSQEM-UHFFFAOYSA-N -1 2 366.464 3.690 20 0 FHADLM O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000740715677 602653355 /nfs/dbraw/zinc/65/33/55/602653355.db2.gz HEGNTHKZPWVAJJ-UHFFFAOYSA-N -1 2 360.313 3.596 20 0 FHADLM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000833214188 604666749 /nfs/dbraw/zinc/66/67/49/604666749.db2.gz QTZGKUVBOFAXRA-AWEZNQCLSA-N -1 2 359.809 3.792 20 0 FHADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000161142616 604923952 /nfs/dbraw/zinc/92/39/52/604923952.db2.gz DJTFIWGLTJVJGK-UHFFFAOYSA-N -1 2 357.428 3.684 20 0 FHADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1O ZINC000683650281 929690167 /nfs/dbraw/zinc/69/01/67/929690167.db2.gz TVADMYOOBWNWSN-UHFFFAOYSA-N -1 2 369.464 3.559 20 0 FHADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1)C(=O)[O-] ZINC000430986197 933622581 /nfs/dbraw/zinc/62/25/81/933622581.db2.gz BYFXIBDSBQSRMR-AWEZNQCLSA-N -1 2 367.492 3.819 20 0 FHADLM CCCCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000511278703 938981027 /nfs/dbraw/zinc/98/10/27/938981027.db2.gz YNCAAPVWESLEKR-UHFFFAOYSA-N -1 2 369.464 3.734 20 0 FHADLM CCc1ccc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000504673035 943738977 /nfs/dbraw/zinc/73/89/77/943738977.db2.gz IVJKOXZKZNNNNY-SNVBAGLBSA-N -1 2 371.505 3.677 20 0 FHADLM O=C([O-])c1cc(NC(=O)CCC(F)(F)F)c(Br)cc1F ZINC000833096827 600975176 /nfs/dbraw/zinc/97/51/76/600975176.db2.gz VMDZMKKEYPTKIL-UHFFFAOYSA-N -1 2 358.085 3.567 20 0 FHADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1C(F)(F)F ZINC000832955777 602116294 /nfs/dbraw/zinc/11/62/94/602116294.db2.gz DLPOTTYYLJIXHQ-UHFFFAOYSA-N -1 2 365.354 3.574 20 0 FHADLM O=C([O-])Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000740712851 602645720 /nfs/dbraw/zinc/64/57/20/602645720.db2.gz CWJPMDSFCLDHAG-UHFFFAOYSA-N -1 2 361.206 3.884 20 0 FHADLM O=C([O-])c1ccnc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)c1 ZINC000833334848 604972471 /nfs/dbraw/zinc/97/24/71/604972471.db2.gz MPJGSCLYWXFOMG-UHFFFAOYSA-N -1 2 367.361 3.551 20 0 FHADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1F ZINC000511242608 938371649 /nfs/dbraw/zinc/37/16/49/938371649.db2.gz SPYOXYIWCJBADN-UHFFFAOYSA-N -1 2 355.362 3.587 20 0 FHADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000504688569 943746172 /nfs/dbraw/zinc/74/61/72/943746172.db2.gz ZXMUZZPBOLAYFO-LLVKDONJSA-N -1 2 369.439 3.500 20 0 FHADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000037375214 599874900 /nfs/dbraw/zinc/87/49/00/599874900.db2.gz DQOLRBAEMMOYOY-UHFFFAOYSA-N -1 2 366.247 3.862 20 0 FHADLM Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000320712975 599875143 /nfs/dbraw/zinc/87/51/43/599875143.db2.gz UPURWEMVWVRUTA-UHFFFAOYSA-N -1 2 365.354 3.574 20 0 FHADLM CCSCc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000737231678 600896760 /nfs/dbraw/zinc/89/67/60/600896760.db2.gz QAPUBGWKNBTZIC-UHFFFAOYSA-N -1 2 369.464 3.649 20 0 FHADLM Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(C)s1 ZINC000832904241 601362891 /nfs/dbraw/zinc/36/28/91/601362891.db2.gz BHAYWYBRMCPZPX-UHFFFAOYSA-N -1 2 374.509 3.618 20 0 FHADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1Cl ZINC000484505714 601987989 /nfs/dbraw/zinc/98/79/89/601987989.db2.gz QGQOFBPGZOMZOG-UHFFFAOYSA-N -1 2 374.245 3.730 20 0 FHADLM Cc1ccc(S(=O)(=O)Nc2scnc2-c2ccccc2)cc1C(=O)[O-] ZINC000833751014 605013460 /nfs/dbraw/zinc/01/34/60/605013460.db2.gz MHARTZDUHNQOCD-UHFFFAOYSA-N -1 2 374.443 3.618 20 0 FHADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000604305879 568247444 /nfs/dbraw/zinc/24/74/44/568247444.db2.gz IDSBDAIYRMDZPB-UHFFFAOYSA-N -1 2 369.464 3.733 20 0 FHADLM O=C([O-])CCN(C(=O)c1ccc(OC2CCC2)cc1)c1cccc(F)c1 ZINC000833231723 600975155 /nfs/dbraw/zinc/97/51/55/600975155.db2.gz KPLZUHYYGWNEPP-UHFFFAOYSA-N -1 2 357.381 3.879 20 0 FHADLM CSc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000832785915 601335550 /nfs/dbraw/zinc/33/55/50/601335550.db2.gz SDYIQBCTQIEQHV-UHFFFAOYSA-N -1 2 363.869 3.622 20 0 FHADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000035426850 601357158 /nfs/dbraw/zinc/35/71/58/601357158.db2.gz DZFDJAFAHBELFW-UHFFFAOYSA-N -1 2 352.220 3.554 20 0 FHADLM CC(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])c(C(C)C)c1 ZINC000827129529 601834306 /nfs/dbraw/zinc/83/43/06/601834306.db2.gz PTODJMBCQPEJEZ-UHFFFAOYSA-N -1 2 368.480 3.889 20 0 FHADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(C)C ZINC000471137000 927737120 /nfs/dbraw/zinc/73/71/20/927737120.db2.gz OSIVVBYWLRDOOK-UHFFFAOYSA-N -1 2 355.437 3.588 20 0 FHADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000531125967 938267629 /nfs/dbraw/zinc/26/76/29/938267629.db2.gz PMXBWJUWPWGOME-UHFFFAOYSA-N -1 2 357.790 3.541 20 0 FHADLM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])s1 ZINC000584090337 938596439 /nfs/dbraw/zinc/59/64/39/938596439.db2.gz SNGSULBNXVZTNZ-UHFFFAOYSA-N -1 2 353.465 3.573 20 0 FHADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172915524 941594813 /nfs/dbraw/zinc/59/48/13/941594813.db2.gz JJYNAVCCMGPGKP-MRXNPFEDSA-N -1 2 351.479 3.525 20 0 FHADLM CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000324354766 945744290 /nfs/dbraw/zinc/74/42/90/945744290.db2.gz GESONOGYJHDULT-UHFFFAOYSA-N -1 2 369.826 3.546 20 0 FHADLM O=C([O-])c1sccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000035306434 599873480 /nfs/dbraw/zinc/87/34/80/599873480.db2.gz WKTXKICNKVJTLO-UHFFFAOYSA-N -1 2 358.249 3.615 20 0 FHADLM O=C([O-])CCN(C(=O)[C@H]1SCCc2ccccc21)c1cccc(F)c1 ZINC000833232007 600975125 /nfs/dbraw/zinc/97/51/25/600975125.db2.gz IGHJSTVNEKUTNR-SFHVURJKSA-N -1 2 359.422 3.664 20 0 FHADLM O=C([O-])CCN(C(=O)[C@H]1SCCc2sccc21)c1cccc(F)c1 ZINC000833232488 600975133 /nfs/dbraw/zinc/97/51/33/600975133.db2.gz WKHOPVSKCFPMRL-INIZCTEOSA-N -1 2 365.451 3.726 20 0 FHADLM O=C([O-])CCOc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1 ZINC000833239671 601210297 /nfs/dbraw/zinc/21/02/97/601210297.db2.gz SYYXGPNYTDAZJF-UHFFFAOYSA-N -1 2 370.188 3.805 20 0 FHADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccsc2)c(Cl)cc1Cl ZINC000090866942 601331783 /nfs/dbraw/zinc/33/17/83/601331783.db2.gz HAHBXPUTPBRKBB-UHFFFAOYSA-N -1 2 352.220 3.554 20 0 FHADLM CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000327467249 937149775 /nfs/dbraw/zinc/14/97/75/937149775.db2.gz INIOXZKGHHELPM-LLVKDONJSA-N -1 2 367.398 3.502 20 0 FHADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)s1 ZINC000431125673 933875324 /nfs/dbraw/zinc/87/53/24/933875324.db2.gz CZJZWJDSKJVURS-UHFFFAOYSA-N -1 2 353.465 3.573 20 0 FHADLM Cc1cc(Br)cn2cc(C[NH2+]Cc3cc(O)cc(F)c3)nc12 ZINC000472081316 934971779 /nfs/dbraw/zinc/97/17/79/934971779.db2.gz ZTXMWRCVOQHKER-UHFFFAOYSA-N -1 2 364.218 3.540 20 0 FHADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1Cl ZINC000515618381 944053285 /nfs/dbraw/zinc/05/32/85/944053285.db2.gz OJCRNFGNVGTQLI-UHFFFAOYSA-N -1 2 360.218 3.801 20 0 FHADLM Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000320367247 599874793 /nfs/dbraw/zinc/87/47/93/599874793.db2.gz SNGQRGMONFZZDR-UHFFFAOYSA-N -1 2 353.465 3.853 20 0 FHADLM CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833447392 605118783 /nfs/dbraw/zinc/11/87/83/605118783.db2.gz IRSFHLOELCQNRR-UHFFFAOYSA-N -1 2 373.427 3.564 20 0 FHADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000833741533 605124665 /nfs/dbraw/zinc/12/46/65/605124665.db2.gz QZRGZPFHHLFEGR-UHFFFAOYSA-N -1 2 365.354 3.574 20 0 FHADLM CCc1[nH]c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000833666838 605221653 /nfs/dbraw/zinc/22/16/53/605221653.db2.gz AVKJGPGYCLGIQM-UHFFFAOYSA-N -1 2 357.193 3.848 20 0 FHADLM O=C([O-])Nc1ccc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000834254982 605403513 /nfs/dbraw/zinc/40/35/13/605403513.db2.gz DBBNQKISZRUURY-UHFFFAOYSA-N -1 2 355.177 3.970 20 0 FHADLM CCc1ccc(CC)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000435967919 943891500 /nfs/dbraw/zinc/89/15/00/943891500.db2.gz ARPBTJKSLOFMCX-UHFFFAOYSA-N -1 2 353.465 3.680 20 0 FHADLM Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1C ZINC000436555932 944412767 /nfs/dbraw/zinc/41/27/67/944412767.db2.gz JVYIALQXMRYAFP-HZPDHXFCSA-N -1 2 368.477 3.871 20 0 FHADLM CN(C(=O)c1cc(F)cc(Cl)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436795987 944647354 /nfs/dbraw/zinc/64/73/54/944647354.db2.gz HNPWPQYEKNELOU-HNNXBMFYSA-N -1 2 362.832 3.531 20 0 FHADLM O=c1[nH]nc([C@H]2CCC[N@H+](CCCSc3ccccc3Cl)C2)[nH]1 ZINC000579122663 946046484 /nfs/dbraw/zinc/04/64/84/946046484.db2.gz NWRSDNRZVIRQLA-LBPRGKRZSA-N -1 2 352.891 3.526 20 0 FHADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000738276864 599966286 /nfs/dbraw/zinc/96/62/86/599966286.db2.gz FSUJNSUZDBUHJK-UHFFFAOYSA-N -1 2 374.443 3.618 20 0 FHADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000740133727 600473142 /nfs/dbraw/zinc/47/31/42/600473142.db2.gz BZXRWIDIQJLJEQ-UHFFFAOYSA-N -1 2 374.852 3.510 20 0 FHADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000833346760 601830877 /nfs/dbraw/zinc/83/08/77/601830877.db2.gz VJAVLENLFUKZQX-UHFFFAOYSA-N -1 2 374.399 3.542 20 0 FHADLM 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