smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)sc1C(=O)[O-] ZINC000476755057 515183015 /nfs/dbraw/zinc/18/30/15/515183015.db2.gz GMIWKGANWJFZEO-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000544096477 516579010 /nfs/dbraw/zinc/57/90/10/516579010.db2.gz OUGWQDPTWLBPMW-VIFPVBQESA-N -2 2 369.420 2.825 20 0 FFADLL C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)[C@@H](C)C(=O)Nc1ncccc1O ZINC001449195908 1058872485 /nfs/dbraw/zinc/87/24/85/1058872485.db2.gz QKRBLECZXPFCCR-NXEZZACHSA-N -2 2 363.801 2.539 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)sc1C(=O)[O-] ZINC000319600081 511809771 /nfs/dbraw/zinc/80/97/71/511809771.db2.gz LXEHRBRGYLKNEK-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL Cc1c(NC(=O)c2cccc(Br)c2O)cccc1-c1nn[nH]n1 ZINC000822108492 742699119 /nfs/dbraw/zinc/69/91/19/742699119.db2.gz KCEGHALOVKWOMP-UHFFFAOYSA-N -2 2 374.198 2.896 20 0 FFADLL O=C([O-])Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000834262439 606100832 /nfs/dbraw/zinc/10/08/32/606100832.db2.gz QSJYFUPOAPYPLD-UHFFFAOYSA-N -2 2 372.305 2.554 20 0 FFADLL C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])s2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000903687686 736153259 /nfs/dbraw/zinc/15/32/59/736153259.db2.gz JISYDMUCXXAKAY-AUTRQRHGSA-N -2 2 364.389 2.724 20 0 FFADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001185869360 1003104310 /nfs/dbraw/zinc/10/43/10/1003104310.db2.gz ZYFSOWPFLWXSGB-UHFFFAOYSA-N -2 2 357.391 2.680 20 0 FFADLL C[C@H](NC(=O)c1ccc(O)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1O ZINC001449195913 1058870155 /nfs/dbraw/zinc/87/01/55/1058870155.db2.gz QKRBLECZXPFCCR-UWVGGRQHSA-N -2 2 363.801 2.539 20 0 FFADLL Cc1ccc(OCc2ccc(C(=O)NCc3nc(O)cc(=O)[nH]3)o2)c(C)c1 ZINC001585949615 1079517162 /nfs/dbraw/zinc/51/71/62/1079517162.db2.gz ADJRYAKESQXMOI-UHFFFAOYSA-N -2 2 369.377 2.607 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)sc1C ZINC000548526357 517035770 /nfs/dbraw/zinc/03/57/70/517035770.db2.gz IRSHWSHKUYOQBJ-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000832874527 602116017 /nfs/dbraw/zinc/11/60/17/602116017.db2.gz LWRNNCYNQSSHMX-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000547547125 516402204 /nfs/dbraw/zinc/40/22/04/516402204.db2.gz LXUUWHKTYRWOGS-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL CC[C@@H](C)[C@H]1C[N@@H+](Cc2ncccc2O)CCN1Cc1ncccc1O ZINC000520604129 517451180 /nfs/dbraw/zinc/45/11/80/517451180.db2.gz MELYZXRJVVJDJX-CRAIPNDOSA-N -2 2 356.470 2.620 20 0 FFADLL COC(=O)[C@H](Oc1nc2nc[nH]c2c(=S)[nH]1)c1ccccc1Cl ZINC001226784530 1034839120 /nfs/dbraw/zinc/83/91/20/1034839120.db2.gz GUZVUDXZRHRPNK-SNVBAGLBSA-N -2 2 350.787 2.588 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000478680832 515922359 /nfs/dbraw/zinc/92/23/59/515922359.db2.gz MHROJLQFDGCEPH-UHFFFAOYSA-N -2 2 369.420 2.871 20 0 FFADLL O=C([O-])CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1cccc(F)c1F ZINC000563277047 517790035 /nfs/dbraw/zinc/79/00/35/517790035.db2.gz BQAOABQKAMCYAO-UHFFFAOYSA-N -2 2 363.364 2.815 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830232292 601250534 /nfs/dbraw/zinc/25/05/34/601250534.db2.gz LSRQYUSVMPINSH-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc(C(=O)[O-])c1 ZINC000795365153 740010823 /nfs/dbraw/zinc/01/08/23/740010823.db2.gz GFDMAJQZVYVPKR-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL CC[C@@H](O)C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229772055 1036882944 /nfs/dbraw/zinc/88/29/44/1036882944.db2.gz UXQLMUATFPFGFD-GFCCVEGCSA-N -2 2 356.330 2.548 20 0 FFADLL CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)s1 ZINC000547547378 516401045 /nfs/dbraw/zinc/40/10/45/516401045.db2.gz YRQMVSQQOJVHAX-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL O=S(=O)(Nc1nc2c(cccc2O)s1)c1ccc2nsnc2c1 ZINC001186217205 1003243872 /nfs/dbraw/zinc/24/38/72/1003243872.db2.gz LAVQMKOJIQRNDE-UHFFFAOYSA-N -2 2 364.433 2.807 20 0 FFADLL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000476395192 515032809 /nfs/dbraw/zinc/03/28/09/515032809.db2.gz WJWNDGRVGWBLAU-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000509659993 515278533 /nfs/dbraw/zinc/27/85/33/515278533.db2.gz VZDOLXNDBARLIZ-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1 ZINC000512735639 516340623 /nfs/dbraw/zinc/34/06/23/516340623.db2.gz YQAYZDUGORAPFI-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL CCn1ncc(NS(=O)(=O)c2cc(O)cc(F)c2)c1C(F)(F)F ZINC000634792502 523663866 /nfs/dbraw/zinc/66/38/66/523663866.db2.gz VBHACBXHJVDLKC-UHFFFAOYSA-N -2 2 353.297 2.567 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000738477036 599853124 /nfs/dbraw/zinc/85/31/24/599853124.db2.gz AFJKNFIWEIOARW-UHFFFAOYSA-N -2 2 369.420 2.573 20 0 FFADLL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736232072 600678672 /nfs/dbraw/zinc/67/86/72/600678672.db2.gz CEBCLQUXZJVGBH-UHFFFAOYSA-N -2 2 369.420 2.609 20 0 FFADLL COc1cnc([C@@H]2CCCN2C[C@@H](C)C(=O)c2ccc(O)cc2)[nH]c1=O ZINC000934271348 966176399 /nfs/dbraw/zinc/17/63/99/966176399.db2.gz FEWSGUPQEHEBSA-DOMZBBRYSA-N -2 2 357.410 2.552 20 0 FFADLL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833297696 600684658 /nfs/dbraw/zinc/68/46/58/600684658.db2.gz LTBFHMZBDSXZSR-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL O=C(NCCc1n[nH]c(=S)o1)c1cc(Oc2ccccc2)ccc1O ZINC001154900732 1028502370 /nfs/dbraw/zinc/50/23/70/1028502370.db2.gz ICKJMPUXFUIOHB-UHFFFAOYSA-N -2 2 357.391 2.829 20 0 FFADLL O=C1OCCC[C@H]1Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229772182 1036885369 /nfs/dbraw/zinc/88/53/69/1036885369.db2.gz XVYJSGUGTMKIEH-CQSZACIVSA-N -2 2 368.341 2.956 20 0 FFADLL COc1cnc([C@H]2CCCN2C[C@H](C)C(=O)c2ccc(O)cc2)[nH]c1=O ZINC000934271355 966176004 /nfs/dbraw/zinc/17/60/04/966176004.db2.gz FEWSGUPQEHEBSA-SWLSCSKDSA-N -2 2 357.410 2.552 20 0 FFADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000315374484 511799820 /nfs/dbraw/zinc/79/98/20/511799820.db2.gz CKBUBEQBCIZQOL-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832872260 601335448 /nfs/dbraw/zinc/33/54/48/601335448.db2.gz NHLBZEJTDHXJFP-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL C[C@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CN1C(=O)OC(C)(C)C ZINC001226787316 1034841306 /nfs/dbraw/zinc/84/13/06/1034841306.db2.gz XCLGZHNYOHHPTE-UWVGGRQHSA-N -2 2 365.459 2.808 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000067659988 506967960 /nfs/dbraw/zinc/96/79/60/506967960.db2.gz PGBSXYCXWSCJNQ-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ncccc2O)CCN1Cc1ncccc1O ZINC000520604131 517452386 /nfs/dbraw/zinc/45/23/86/517452386.db2.gz MELYZXRJVVJDJX-QAPCUYQASA-N -2 2 356.470 2.620 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc(C(=O)[O-])c1C ZINC000832903671 602114525 /nfs/dbraw/zinc/11/45/25/602114525.db2.gz MKRQEJOZTKEYSH-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL COc1cnc([C@H]2CCCN2C[C@@H](C)C(=O)c2ccc(O)cc2)[nH]c1=O ZINC000934271350 966176369 /nfs/dbraw/zinc/17/63/69/966176369.db2.gz FEWSGUPQEHEBSA-IUODEOHRSA-N -2 2 357.410 2.552 20 0 FFADLL Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nc2ccccc12 ZINC001185566728 1002988363 /nfs/dbraw/zinc/98/83/63/1002988363.db2.gz RRDASMBLASERIU-UHFFFAOYSA-N -2 2 366.406 2.524 20 0 FFADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(cccc2O)s1 ZINC001185869080 1003103877 /nfs/dbraw/zinc/10/38/77/1003103877.db2.gz JWEXNWVMSDXHGU-UHFFFAOYSA-N -3 2 364.404 2.809 20 0 FFADLL O=c1c(OC[C@H]2COCO2)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC001229771487 1036883475 /nfs/dbraw/zinc/88/34/75/1036883475.db2.gz GWNPXQYRTYTBHK-CYBMUJFWSA-N -2 2 356.330 2.623 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])sc1C(=O)[O-] ZINC000523589426 516513347 /nfs/dbraw/zinc/51/33/47/516513347.db2.gz KYIKWHLRTNWLEO-UHFFFAOYSA-N -2 2 369.420 2.871 20 0 FFADLL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)s1 ZINC000572747151 518342427 /nfs/dbraw/zinc/34/24/27/518342427.db2.gz VSXOMAXIRYDRRO-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL CC[C@H]1C[N@H+](Cc2ncccc2O)[C@@H](CC)CN1Cc1ncccc1O ZINC000564494274 518474255 /nfs/dbraw/zinc/47/42/55/518474255.db2.gz DOZSBOVESMTUTP-HOTGVXAUSA-N -2 2 356.470 2.763 20 0 FFADLL Cn1[nH]c(=NC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC(F)F ZINC000513571921 561943309 /nfs/dbraw/zinc/94/33/09/561943309.db2.gz JWZKQIUYKXIGFY-UHFFFAOYSA-N -2 2 366.353 2.606 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000507580588 729926663 /nfs/dbraw/zinc/92/66/63/729926663.db2.gz PAVXRSDEHYKILF-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL Cc1cccc2sc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)nc21 ZINC001185567012 1002988925 /nfs/dbraw/zinc/98/89/25/1002988925.db2.gz ZJQYTXZRWVTURV-UHFFFAOYSA-N -2 2 372.435 2.586 20 0 FFADLL CC[C@H](O)C(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229772056 1036883437 /nfs/dbraw/zinc/88/34/37/1036883437.db2.gz UXQLMUATFPFGFD-LBPRGKRZSA-N -2 2 356.330 2.548 20 0 FFADLL O=C1OCC[C@@H]1Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229771688 1036883079 /nfs/dbraw/zinc/88/30/79/1036883079.db2.gz NSOSLSBKNOABRR-ZDUSSCGKSA-N -2 2 354.314 2.566 20 0 FFADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000745978628 600816351 /nfs/dbraw/zinc/81/63/51/600816351.db2.gz ZYJSOQZKKUQQEW-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL S=c1[nH]c(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc2[nH]cnc21 ZINC001226787177 1034840419 /nfs/dbraw/zinc/84/04/19/1034840419.db2.gz VLFSJWSJFKEJSR-LLVKDONJSA-N -2 2 361.858 2.948 20 0 FFADLL CCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C(=O)[O-])c1 ZINC000496067912 516231602 /nfs/dbraw/zinc/23/16/02/516231602.db2.gz DVVLVPHYISLOIO-UHFFFAOYSA-N -2 2 369.420 2.816 20 0 FFADLL Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C(=O)[O-])c1 ZINC000512789940 516358542 /nfs/dbraw/zinc/35/85/42/516358542.db2.gz CUHIGRNCFUAVSR-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000544639731 516849975 /nfs/dbraw/zinc/84/99/75/516849975.db2.gz KZLZVLMOOUIZJJ-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1F ZINC000749144441 601224034 /nfs/dbraw/zinc/22/40/34/601224034.db2.gz XURUKYPGVWVRBK-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=c1c(OC[C@@H]2COCCO2)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC001229771591 1036883134 /nfs/dbraw/zinc/88/31/34/1036883134.db2.gz KJORICXYJMSYAN-AWEZNQCLSA-N -2 2 370.357 2.665 20 0 FFADLL O=c1c(OC[C@@H]2COCO2)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC001229771488 1036884878 /nfs/dbraw/zinc/88/48/78/1036884878.db2.gz GWNPXQYRTYTBHK-ZDUSSCGKSA-N -2 2 356.330 2.623 20 0 FFADLL CC(=O)c1cccc(NC(=O)c2ncc(Br)cc2O)c1O ZINC001450597050 1059033470 /nfs/dbraw/zinc/03/34/70/1059033470.db2.gz KGODFFKJVBFNBV-UHFFFAOYSA-N -2 2 351.156 2.710 20 0 FFADLL CCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000515630987 517429188 /nfs/dbraw/zinc/42/91/88/517429188.db2.gz PSCIBGLBJBZQHC-UHFFFAOYSA-N -2 2 369.420 2.898 20 0 FFADLL C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000542731152 517707320 /nfs/dbraw/zinc/70/73/20/517707320.db2.gz DNYRCDVDAWYLDN-VIFPVBQESA-N -2 2 369.420 2.510 20 0 FFADLL Cc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C(=O)[O-])c1 ZINC000738358871 599768677 /nfs/dbraw/zinc/76/86/77/599768677.db2.gz RHSAMYQFEFSXHM-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL O=C([O-])c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000740135506 599873870 /nfs/dbraw/zinc/87/38/70/599873870.db2.gz LVWNBKZXPKHORQ-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL O=C([N-]C[C@@H]1CCC[N@H+](Cc2c(F)ccc(O)c2F)C1)C(F)(F)F ZINC000293947169 510907415 /nfs/dbraw/zinc/90/74/15/510907415.db2.gz OSFQKFDWWFKFJY-VIFPVBQESA-N -2 2 352.303 2.561 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000530887917 518033680 /nfs/dbraw/zinc/03/36/80/518033680.db2.gz XARZYNRNVOFUFH-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000918065902 737791701 /nfs/dbraw/zinc/79/17/01/737791701.db2.gz XYBCAFAWXRQJNL-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL C[C@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CN1C(=O)OC(C)(C)C ZINC001226787320 1034841007 /nfs/dbraw/zinc/84/10/07/1034841007.db2.gz XCLGZHNYOHHPTE-VHSXEESVSA-N -2 2 365.459 2.808 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])sc1C(=O)[O-] ZINC000523980076 516620994 /nfs/dbraw/zinc/62/09/94/516620994.db2.gz ZURFEPXVHZEWPI-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL C[C@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C(=O)[O-] ZINC000542731151 517707197 /nfs/dbraw/zinc/70/71/97/517707197.db2.gz DNYRCDVDAWYLDN-SECBINFHSA-N -2 2 369.420 2.510 20 0 FFADLL O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000548525213 517036146 /nfs/dbraw/zinc/03/61/46/517036146.db2.gz UMFXCQWPPRDBRJ-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL O=c1c(O[C@@H]2COC[C@H]2F)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC001229771555 1036884549 /nfs/dbraw/zinc/88/45/49/1036884549.db2.gz IZIMUEIYPADQOY-IUODEOHRSA-N -2 2 358.321 2.987 20 0 FFADLL Cc1oc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000392142499 972414908 /nfs/dbraw/zinc/41/49/08/972414908.db2.gz FRRKBRBDDHTMBL-UHFFFAOYSA-N -2 2 373.770 2.747 20 0 FFADLL C[C@@H]1CC[C@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CN1C(=O)OC(C)(C)C ZINC001226787325 1034840971 /nfs/dbraw/zinc/84/09/71/1034840971.db2.gz XCLGZHNYOHHPTE-ZJUUUORDSA-N -2 2 365.459 2.808 20 0 FFADLL C[C@@H](O)CC(=O)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229772308 1036884804 /nfs/dbraw/zinc/88/48/04/1036884804.db2.gz ZXSQEPLKXDWZEN-SNVBAGLBSA-N -2 2 356.330 2.548 20 0 FFADLL C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)[C@H](C)C(=O)Nc1ncccc1O ZINC001449195918 1058871014 /nfs/dbraw/zinc/87/10/14/1058871014.db2.gz QKRBLECZXPFCCR-VHSXEESVSA-N -2 2 363.801 2.539 20 0 FFADLL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000496072145 516231833 /nfs/dbraw/zinc/23/18/33/516231833.db2.gz MVUKQJRJPKIAPI-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL O=C([O-])COc1ccc(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)cc1 ZINC001192685310 1004236916 /nfs/dbraw/zinc/23/69/16/1004236916.db2.gz KXDDMTSCXOXPPG-UHFFFAOYSA-N -2 2 362.407 2.613 20 0 FFADLL COCC(COC)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229771577 1036884087 /nfs/dbraw/zinc/88/40/87/1036884087.db2.gz KACWPMHBQWKZLJ-UHFFFAOYSA-N -2 2 372.373 2.911 20 0 FFADLL C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC001449195923 1058870262 /nfs/dbraw/zinc/87/02/62/1058870262.db2.gz QKRBLECZXPFCCR-ZJUUUORDSA-N -2 2 363.801 2.539 20 0 FFADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000063180330 507697616 /nfs/dbraw/zinc/69/76/16/507697616.db2.gz SZUXKGXLTOIOEI-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000747621108 601334954 /nfs/dbraw/zinc/33/49/54/601334954.db2.gz LZEGWPGFMUJHJU-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])cc1C ZINC000794607588 739910281 /nfs/dbraw/zinc/91/02/81/739910281.db2.gz ADUKTYNVADBYGA-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(cccc3O)s2)cc1 ZINC001251803600 1039303314 /nfs/dbraw/zinc/30/33/14/1039303314.db2.gz LAVMZFCADARUOK-UHFFFAOYSA-N -2 2 363.420 2.761 20 0 FFADLL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000544096476 516579473 /nfs/dbraw/zinc/57/94/73/516579473.db2.gz OUGWQDPTWLBPMW-SECBINFHSA-N -2 2 369.420 2.825 20 0 FFADLL Cc1cc(F)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826268357 609530514 /nfs/dbraw/zinc/53/05/14/609530514.db2.gz UDUVRKWBUMJAJX-UHFFFAOYSA-N -2 2 367.793 2.768 20 0 FFADLL Cc1ccc2nc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)sc2c1 ZINC001185566792 1002988756 /nfs/dbraw/zinc/98/87/56/1002988756.db2.gz UMSFMTIHLVKOQZ-UHFFFAOYSA-N -2 2 372.435 2.586 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)c1C ZINC000373088927 512166287 /nfs/dbraw/zinc/16/62/87/512166287.db2.gz UENIVDXMHHZDKR-UHFFFAOYSA-N -2 2 372.406 2.588 20 0 FFADLL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C(=O)[O-])c1 ZINC000749140930 601224187 /nfs/dbraw/zinc/22/41/87/601224187.db2.gz DUSDCDHZDISQIX-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000832868255 602117863 /nfs/dbraw/zinc/11/78/63/602117863.db2.gz KCBNIKPEKFDABO-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC001597562356 988306584 /nfs/dbraw/zinc/30/65/84/988306584.db2.gz WFCKNUANHOCWSK-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)sc1C(=O)[O-] ZINC000738477115 600100943 /nfs/dbraw/zinc/10/09/43/600100943.db2.gz QPNNLHGIALTNNB-UHFFFAOYSA-N -2 2 374.371 2.785 20 0 FFADLL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC000740187756 600395560 /nfs/dbraw/zinc/39/55/60/600395560.db2.gz UECJKVFVFZLRSN-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000833747859 605128434 /nfs/dbraw/zinc/12/84/34/605128434.db2.gz MARSYGXKRIVEAG-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL Cc1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc(C(=O)[O-])c1 ZINC000507586104 729926602 /nfs/dbraw/zinc/92/66/02/729926602.db2.gz TYUHTXMMZCKQPX-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=C1OCC[C@H]1Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229771687 1036882670 /nfs/dbraw/zinc/88/26/70/1036882670.db2.gz NSOSLSBKNOABRR-CYBMUJFWSA-N -2 2 354.314 2.566 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000830232332 601251038 /nfs/dbraw/zinc/25/10/38/601251038.db2.gz OPWMSRRSPKMWIW-UHFFFAOYSA-N -2 2 367.379 2.656 20 0 FFADLL O=C1CC[C@@H](COc2c(=O)c3c(O)cc(O)cc3oc2-c2ccccc2)O1 ZINC001229771448 1036884301 /nfs/dbraw/zinc/88/43/01/1036884301.db2.gz FUSDCQKVIBBVST-ZDUSSCGKSA-N -2 2 368.341 2.956 20 0 FFADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000833751148 605128291 /nfs/dbraw/zinc/12/82/91/605128291.db2.gz PMRJVEAWVHZFQP-UHFFFAOYSA-N -2 2 369.420 2.871 20 0 FFADLL CC(C)(C)OC(=O)N1CCC12CC(Oc1nc3nc[nH]c3c(=S)[nH]1)C2 ZINC001226784628 1034838212 /nfs/dbraw/zinc/83/82/12/1034838212.db2.gz HHKXDHLKTZXFHD-UHFFFAOYSA-N -2 2 363.443 2.562 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1F ZINC000749141065 735697312 /nfs/dbraw/zinc/69/73/12/735697312.db2.gz IQHJRHHZDKNWLI-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=C([O-])c1csc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000833343600 602116550 /nfs/dbraw/zinc/11/65/50/602116550.db2.gz JEYXBISEHXIWOK-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000751215182 601250579 /nfs/dbraw/zinc/25/05/79/601250579.db2.gz IYFAACSJFRYXOR-UHFFFAOYSA-N -2 2 367.354 2.585 20 0 FFADLL O=C([O-])c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000833343621 602118247 /nfs/dbraw/zinc/11/82/47/602118247.db2.gz KAGOZLYSMRUXIG-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL COC(=O)[C@@H](C)Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229771264 1036882246 /nfs/dbraw/zinc/88/22/46/1036882246.db2.gz BJHHCOSWDIBCSL-SNVBAGLBSA-N -2 2 356.330 2.812 20 0 FFADLL COC(=O)[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1O)c1ccccc1 ZINC000477526971 515491555 /nfs/dbraw/zinc/49/15/55/515491555.db2.gz PHOQFBHUIFELBE-CYBMUJFWSA-N -2 2 369.826 2.744 20 0 FFADLL O=C([O-])Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000833283525 600815778 /nfs/dbraw/zinc/81/57/78/600815778.db2.gz SDHFAADAGRDMGX-UHFFFAOYSA-N -2 2 372.305 2.554 20 0 FFADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000833741966 605127567 /nfs/dbraw/zinc/12/75/67/605127567.db2.gz XUIDXTRVLIXYAF-UHFFFAOYSA-N -2 2 369.420 2.573 20 0 FFADLL O=C1OC[C@@H](COc2c(=O)c3c(O)cc(O)cc3oc2-c2ccccc2)O1 ZINC001229771637 1036883023 /nfs/dbraw/zinc/88/30/23/1036883023.db2.gz MIPITWIFMIKPLT-GFCCVEGCSA-N -2 2 370.313 2.785 20 0 FFADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000392186592 600810754 /nfs/dbraw/zinc/81/07/54/600810754.db2.gz NEQIZNPJUSAZAN-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)sc1C(=O)[O-] ZINC000319993208 511812682 /nfs/dbraw/zinc/81/26/82/511812682.db2.gz GLQDHYJMJRENMC-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL CC[C@@H]1C[N@H+](Cc2ncccc2O)[C@H](CC)CN1Cc1ncccc1O ZINC000564494276 518474693 /nfs/dbraw/zinc/47/46/93/518474693.db2.gz DOZSBOVESMTUTP-HZPDHXFCSA-N -2 2 356.470 2.763 20 0 FFADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000740145939 600383794 /nfs/dbraw/zinc/38/37/94/600383794.db2.gz ZYMVCFASICTECM-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000833751011 605128485 /nfs/dbraw/zinc/12/84/85/605128485.db2.gz MCKOZWPZVUSATN-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL COc1cnc([C@@H]2CCCN2C[C@H](C)C(=O)c2ccc(O)cc2)[nH]c1=O ZINC000934271357 966176456 /nfs/dbraw/zinc/17/64/56/966176456.db2.gz FEWSGUPQEHEBSA-WFASDCNBSA-N -2 2 357.410 2.552 20 0 FFADLL COC(=O)c1cc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)ccc1O ZINC000327154140 511870077 /nfs/dbraw/zinc/87/00/77/511870077.db2.gz GFXUVVDOEQYHPG-UHFFFAOYSA-N -2 2 358.375 2.528 20 0 FFADLL CC[C@H](C)[C@H]1C[N@@H+](Cc2ncccc2O)CCN1Cc1ncccc1O ZINC000520604130 517452588 /nfs/dbraw/zinc/45/25/88/517452588.db2.gz MELYZXRJVVJDJX-MAUKXSAKSA-N -2 2 356.470 2.620 20 0 FFADLL COc1ccc(O)c(S(=O)(=O)Nc2ccc(N=S(C)(C)=O)cc2)c1 ZINC000821110822 742589693 /nfs/dbraw/zinc/58/96/93/742589693.db2.gz AJBAGOFIFLWODI-UHFFFAOYSA-N -2 2 370.452 2.561 20 0 FFADLL C[C@@H]1CC[C@@H](Oc2nc3nc[nH]c3c(=S)[nH]2)CN1C(=O)OC(C)(C)C ZINC001226787309 1034841846 /nfs/dbraw/zinc/84/18/46/1034841846.db2.gz XCLGZHNYOHHPTE-NXEZZACHSA-N -2 2 365.459 2.808 20 0 FFADLL O=C1OC[C@H](COc2c(=O)c3c(O)cc(O)cc3oc2-c2ccccc2)O1 ZINC001229771638 1036882810 /nfs/dbraw/zinc/88/28/10/1036882810.db2.gz MIPITWIFMIKPLT-LBPRGKRZSA-N -2 2 370.313 2.785 20 0 FFADLL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000438754412 514435341 /nfs/dbraw/zinc/43/53/41/514435341.db2.gz KLTBAXHSVPGMPL-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467765793 515109587 /nfs/dbraw/zinc/10/95/87/515109587.db2.gz BFTQOOAGUFHCGL-UHFFFAOYSA-N -2 2 371.392 2.507 20 0 FFADLL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000512753316 516347134 /nfs/dbraw/zinc/34/71/34/516347134.db2.gz XJMFNNGPBWPTHM-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000536197621 516671985 /nfs/dbraw/zinc/67/19/85/516671985.db2.gz LOBSTKYKCIWUSD-UHFFFAOYSA-N -2 2 369.420 2.654 20 0 FFADLL Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000833744608 605169533 /nfs/dbraw/zinc/16/95/33/605169533.db2.gz KIZXJLYPEZTAAS-UHFFFAOYSA-N -2 2 368.342 2.723 20 0 FFADLL CCc1ccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC001597562940 988311950 /nfs/dbraw/zinc/31/19/50/988311950.db2.gz ZMENKYJUGQHOIR-UHFFFAOYSA-N -2 2 369.420 2.816 20 0 FFADLL O=C([N-]C[C@H]1CCC[N@H+](Cc2c(F)ccc(O)c2F)C1)C(F)(F)F ZINC000293947163 510907712 /nfs/dbraw/zinc/90/77/12/510907712.db2.gz OSFQKFDWWFKFJY-SECBINFHSA-N -2 2 352.303 2.561 20 0 FFADLL CCCCOc1ccc(C(=O)N=c2[nH][nH]cc2Br)c(O)c1 ZINC000412333965 513042117 /nfs/dbraw/zinc/04/21/17/513042117.db2.gz GEUYANBISHSMLK-UHFFFAOYSA-N -2 2 354.204 3.309 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000438723157 514430866 /nfs/dbraw/zinc/43/08/66/514430866.db2.gz NXWHPAOKXAQMGH-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL Cc1oc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])c1C(=O)[O-] ZINC000832871900 601335544 /nfs/dbraw/zinc/33/55/44/601335544.db2.gz BRDOSIANZKYXJZ-UHFFFAOYSA-N -2 2 367.379 2.710 20 0 FFADLL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000314751859 963804449 /nfs/dbraw/zinc/80/44/49/963804449.db2.gz PXHDEDBAZYOVTD-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL S=c1[nH]c(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc2[nH]cnc21 ZINC001226787178 1034841353 /nfs/dbraw/zinc/84/13/53/1034841353.db2.gz VLFSJWSJFKEJSR-NSHDSACASA-N -2 2 361.858 2.948 20 0 FFADLL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000516333765 517665071 /nfs/dbraw/zinc/66/50/71/517665071.db2.gz UTTDRTLJXRFWNW-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL O=C1C[C@H](Oc2c(=O)c3c(O)cc(O)cc3oc2-c2ccccc2)CO1 ZINC001229772114 1036882413 /nfs/dbraw/zinc/88/24/13/1036882413.db2.gz WZEHNMMNPICQIV-LBPRGKRZSA-N -2 2 354.314 2.566 20 0 FFADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])cc1C ZINC000478713461 515937963 /nfs/dbraw/zinc/93/79/63/515937963.db2.gz ZOGQVPLSCRRRBB-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL O=C([O-])c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833343494 602118160 /nfs/dbraw/zinc/11/81/60/602118160.db2.gz HIQBBRVYGXYLRJ-UHFFFAOYSA-N -2 2 361.784 2.599 20 0 FFADLL CC(C)C1(C(C)C)OC[C@@H](CCOc2nc3nc[nH]c3c(=S)[nH]2)O1 ZINC001226787471 1034841405 /nfs/dbraw/zinc/84/14/05/1034841405.db2.gz YKQAQRATEQVZAH-LLVKDONJSA-N -2 2 352.460 2.834 20 0 FFADLL O=c1c(OC[C@H]2COCCO2)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC001229771592 1036884149 /nfs/dbraw/zinc/88/41/49/1036884149.db2.gz KJORICXYJMSYAN-CQSZACIVSA-N -2 2 370.357 2.665 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])sc1C(=O)[O-] ZINC000476392078 515031022 /nfs/dbraw/zinc/03/10/22/515031022.db2.gz WZHCZFDHHHHIOS-UHFFFAOYSA-N -2 2 369.420 2.871 20 0 FFADLL C[C@@H](COc1ccccc1)OCCCOc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226786889 1034841770 /nfs/dbraw/zinc/84/17/70/1034841770.db2.gz SZRUKSDPCBRDNU-LBPRGKRZSA-N -2 2 360.439 2.895 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])sc1C(=O)[O-] ZINC000055587069 506790421 /nfs/dbraw/zinc/79/04/21/506790421.db2.gz TWDLMJPIHUGECF-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL CSc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000471993902 515079283 /nfs/dbraw/zinc/07/92/83/515079283.db2.gz XWSAPUVCCHSZIC-UHFFFAOYSA-N -3 2 353.421 2.922 20 0 FFADLL Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000740093174 602645475 /nfs/dbraw/zinc/64/54/75/602645475.db2.gz JKWSEZOGHWSYLL-UHFFFAOYSA-N -2 2 356.381 2.645 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1scc(C(=O)[O-])c1C ZINC000833670521 605124629 /nfs/dbraw/zinc/12/46/29/605124629.db2.gz NQLNXPJBHDEAFB-UHFFFAOYSA-N -2 2 369.420 2.816 20 0 FFADLL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000607030726 521238850 /nfs/dbraw/zinc/23/88/50/521238850.db2.gz ZKCPDBZTUDYPDY-UHFFFAOYSA-N -2 2 369.420 2.609 20 0 FFADLL Cc1oc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1C(=O)[O-] ZINC000738969274 600395376 /nfs/dbraw/zinc/39/53/76/600395376.db2.gz LERFUKPPEVLBPE-UHFFFAOYSA-N -2 2 373.770 2.747 20 0 FFADLL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C(=O)[O-])c1 ZINC000737264570 600536259 /nfs/dbraw/zinc/53/62/59/600536259.db2.gz DXRFQDYWEIVXDS-UHFFFAOYSA-N -2 2 355.393 2.508 20 0 FFADLL O=c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)nc(Cl)[nH]1 ZINC001190294283 1007576401 /nfs/dbraw/zinc/57/64/01/1007576401.db2.gz GCVRMLNFKNYFGR-UHFFFAOYSA-N -2 2 371.699 2.794 20 0 FFADLL COC(=O)[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1O)c1ccccc1 ZINC000477526972 515492041 /nfs/dbraw/zinc/49/20/41/515492041.db2.gz PHOQFBHUIFELBE-ZDUSSCGKSA-N -2 2 369.826 2.744 20 0 FFADLL Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000738358324 599768833 /nfs/dbraw/zinc/76/88/33/599768833.db2.gz LTVGKMWFLAJDDU-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1F ZINC000749146000 735698409 /nfs/dbraw/zinc/69/84/09/735698409.db2.gz POJWUARRAYGHRR-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=c1c(OC2COCOC2)c(-c2ccccc2)oc2cc(O)cc(O)c21 ZINC001229771664 1036885281 /nfs/dbraw/zinc/88/52/81/1036885281.db2.gz NBFTVFQLPVJTGB-UHFFFAOYSA-N -2 2 356.330 2.623 20 0 FFADLL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000512751794 516347047 /nfs/dbraw/zinc/34/70/47/516347047.db2.gz FJDYZJAONOXOLX-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL O=C1OCCC[C@@H]1Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccccc1 ZINC001229772181 1036883249 /nfs/dbraw/zinc/88/32/49/1036883249.db2.gz XVYJSGUGTMKIEH-AWEZNQCLSA-N -2 2 368.341 2.956 20 0 FFADLL CC[C@H](C)[C@@H]1C[N@@H+](Cc2ncccc2O)CCN1Cc1ncccc1O ZINC000520604132 517451382 /nfs/dbraw/zinc/45/13/82/517451382.db2.gz MELYZXRJVVJDJX-YJBOKZPZSA-N -2 2 356.470 2.620 20 0 FFADLL O=C(OCc1ccccc1)C1CC(Oc2nc3nc[nH]c3c(=S)[nH]2)C1 ZINC001226786869 1034840716 /nfs/dbraw/zinc/84/07/16/1034840716.db2.gz STEBRVWLQPSZML-UHFFFAOYSA-N -2 2 356.407 2.542 20 0 FFADLL COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(O)c1 ZINC001261059566 1040965920 /nfs/dbraw/zinc/96/59/20/1040965920.db2.gz MBFJVYXZWAVTCC-UHFFFAOYSA-N -2 2 365.791 2.834 20 0 FFADLL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000737266386 600536147 /nfs/dbraw/zinc/53/61/47/600536147.db2.gz LJXOSWMZWBIDMT-UHFFFAOYSA-N -2 2 367.354 2.585 20 0 FFADLL O=S(=O)(Nc1cc(O)cc(F)c1)c1cnn(-c2ccccc2F)c1 ZINC000161286387 509096734 /nfs/dbraw/zinc/09/67/34/509096734.db2.gz LZIYQFTXIWUFFO-UHFFFAOYSA-N -2 2 351.334 2.657 20 0 FFADLL Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000523586227 516513521 /nfs/dbraw/zinc/51/35/21/516513521.db2.gz ZBIGDSXTFFXITG-UHFFFAOYSA-N -2 2 355.393 2.562 20 0 FFADLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833297632 600816876 /nfs/dbraw/zinc/81/68/76/600816876.db2.gz KMADDCOEFWYUSP-UHFFFAOYSA-N -2 2 373.745 2.676 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c1F ZINC000829971881 604201987 /nfs/dbraw/zinc/20/19/87/604201987.db2.gz RDXROFBERCIIDZ-UHFFFAOYSA-N -2 2 368.342 2.723 20 0 FFADLL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000530648673 517899480 /nfs/dbraw/zinc/89/94/80/517899480.db2.gz OLPYBABFJDJGDY-UHFFFAOYSA-N -2 2 369.420 2.816 20 0 FFADLL CC[C@@H]1C[N@H+](Cc2ncccc2O)[C@@H](CC)CN1Cc1ncccc1O ZINC000564494281 518474662 /nfs/dbraw/zinc/47/46/62/518474662.db2.gz DOZSBOVESMTUTP-IYBDPMFKSA-N -2 2 356.470 2.763 20 0 FFADLL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c1F ZINC000832866562 601224603 /nfs/dbraw/zinc/22/46/03/601224603.db2.gz MDEBRTPVROBTGA-UHFFFAOYSA-N -2 2 368.342 2.723 20 0 FFADLL C[C@H](COc1ccccc1)OCCCOc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226786886 1034840470 /nfs/dbraw/zinc/84/04/70/1034840470.db2.gz SZRUKSDPCBRDNU-GFCCVEGCSA-N -2 2 360.439 2.895 20 0 FFADLL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000832918780 601224434 /nfs/dbraw/zinc/22/44/34/601224434.db2.gz LZQXGCLJECSISM-UHFFFAOYSA-N -2 2 367.354 2.640 20 0 FFADLL Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000833744835 605128360 /nfs/dbraw/zinc/12/83/60/605128360.db2.gz RJGMQOJFJHPZSH-UHFFFAOYSA-N -2 2 373.383 2.701 20 0 FFADLL