smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1 ZINC001592303731 977659770 /nfs/dbraw/zinc/65/97/70/977659770.db2.gz MBUBAZQHGVXDIE-KRWDZBQOSA-N -2 3 393.421 1.279 20 10 GDCDHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000828987634 978991105 /nfs/dbraw/zinc/99/11/05/978991105.db2.gz BGRMUCTYZIEJMK-UHFFFAOYSA-N -2 3 394.449 1.665 20 10 GDCDHL C[C@@H](CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)[O-] ZINC001592806425 979469674 /nfs/dbraw/zinc/46/96/74/979469674.db2.gz HHBFHZKUHYUNKD-SMDDNHRTSA-N -2 3 390.889 1.650 20 10 GDCDHL COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cc1 ZINC001599586113 993615098 /nfs/dbraw/zinc/61/50/98/993615098.db2.gz KZCYDVPCSDZXSO-SNVBAGLBSA-N -2 3 383.451 1.407 20 10 GDCDHL COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2)cc1 ZINC001599586112 993615175 /nfs/dbraw/zinc/61/51/75/993615175.db2.gz KZCYDVPCSDZXSO-JTQLQIEISA-N -2 3 383.451 1.407 20 10 GDCDHL COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)C[C@@H]3CC(=O)[O-])c2c1 ZINC001599636395 994294135 /nfs/dbraw/zinc/29/41/35/994294135.db2.gz OQAZOXLJKYCIFM-ZDUSSCGKSA-N -2 3 379.434 1.628 20 10 GDCDHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2nsnc21 ZINC000738343288 598596003 /nfs/dbraw/zinc/59/60/03/598596003.db2.gz WIVWNFPBPQALHJ-UHFFFAOYSA-N -2 3 377.386 1.811 20 10 GDCDHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2nsnc21 ZINC000738343288 598596004 /nfs/dbraw/zinc/59/60/04/598596004.db2.gz WIVWNFPBPQALHJ-UHFFFAOYSA-N -2 3 377.386 1.811 20 10 GDCDHL Cc1nn(C)c(C)c1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738912291 600144947 /nfs/dbraw/zinc/14/49/47/600144947.db2.gz XBLZLMMYOJOPEI-UHFFFAOYSA-N -2 3 380.832 1.921 20 10 GDCDHL CC(=O)N[C@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736150948 600313825 /nfs/dbraw/zinc/31/38/25/600313825.db2.gz WBFUSXWRJYVELJ-HNNXBMFYSA-N -2 3 397.859 1.059 20 10 GDCDHL C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000739005705 602460448 /nfs/dbraw/zinc/46/04/48/602460448.db2.gz FFOGXPNGBKQODU-SNVBAGLBSA-N -2 3 385.442 1.272 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000833738494 604705204 /nfs/dbraw/zinc/70/52/04/604705204.db2.gz YKKPQSBXUBPTTO-BPNCWPANSA-N -2 3 382.438 1.622 20 10 GDCDHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000833411974 604719845 /nfs/dbraw/zinc/71/98/45/604719845.db2.gz ROVYQVYSAWJFFE-BDJLRTHQSA-N -2 3 392.433 1.956 20 10 GDCDHL CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000392293191 677677966 /nfs/dbraw/zinc/67/79/66/677677966.db2.gz NRQWLTIIJAOMGT-UHFFFAOYSA-N -2 3 384.435 1.947 20 10 GDCDHL CCN1CCN(c2cccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c2)CC1 ZINC001596442628 984138916 /nfs/dbraw/zinc/13/89/16/984138916.db2.gz ZKNGWJFKUWAAFV-UHFFFAOYSA-N -2 3 390.465 1.723 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000833738505 604730677 /nfs/dbraw/zinc/73/06/77/604730677.db2.gz YQHJSSSZJZPFDR-OCCSQVGLSA-N -2 3 384.454 1.917 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833738150 604730873 /nfs/dbraw/zinc/73/08/73/604730873.db2.gz PSTIIHAEXRALER-AWEZNQCLSA-N -2 3 382.369 1.459 20 10 GDCDHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000821417642 607000831 /nfs/dbraw/zinc/00/08/31/607000831.db2.gz QMTFJXCOCILTOV-UHFFFAOYSA-N -2 3 387.381 1.602 20 10 GDCDHL O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc2nonc21 ZINC000823589020 607001079 /nfs/dbraw/zinc/00/10/79/607001079.db2.gz IQOYQCUOKVQODE-UHFFFAOYSA-N -2 3 377.773 1.857 20 10 GDCDHL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc2nonc21 ZINC000823589020 607001080 /nfs/dbraw/zinc/00/10/80/607001080.db2.gz IQOYQCUOKVQODE-UHFFFAOYSA-N -2 3 377.773 1.857 20 10 GDCDHL Cc1nc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n[nH]1 ZINC000751067710 654870774 /nfs/dbraw/zinc/87/07/74/654870774.db2.gz OJPLILFNINHXRG-UHFFFAOYSA-N -2 3 379.423 1.933 20 10 GDCDHL Cc1nnc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])[nH]1 ZINC000751067710 654870784 /nfs/dbraw/zinc/87/07/84/654870784.db2.gz OJPLILFNINHXRG-UHFFFAOYSA-N -2 3 379.423 1.933 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000728015217 654881950 /nfs/dbraw/zinc/88/19/50/654881950.db2.gz MGSQWPGUVYNCJJ-UHFFFAOYSA-N -2 3 388.398 1.696 20 10 GDCDHL Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)n2)cn1 ZINC000822604291 599234473 /nfs/dbraw/zinc/23/44/73/599234473.db2.gz BWTPSYYTZZKPJQ-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)n2)cn1 ZINC000822604291 599234474 /nfs/dbraw/zinc/23/44/74/599234474.db2.gz BWTPSYYTZZKPJQ-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1[O-] ZINC000790408454 655048332 /nfs/dbraw/zinc/04/83/32/655048332.db2.gz ZYHZRRZUNIRTMT-UHFFFAOYSA-N -2 3 376.843 1.755 20 10 GDCDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000765099577 655229885 /nfs/dbraw/zinc/22/98/85/655229885.db2.gz VOIBIYNDPFUKNR-UHFFFAOYSA-N -2 3 382.423 1.704 20 10 GDCDHL C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114901 956087810 /nfs/dbraw/zinc/08/78/10/956087810.db2.gz JPUPOPQQIHEIPC-JIMOISOXSA-N -2 3 384.454 1.629 20 10 GDCDHL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001599888541 984666267 /nfs/dbraw/zinc/66/62/67/984666267.db2.gz KUXLYXBKWVFHFH-GFCCVEGCSA-N -2 3 392.433 1.879 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832699239 600780647 /nfs/dbraw/zinc/78/06/47/600780647.db2.gz ARLPFNJLGAZRAH-CQSZACIVSA-N -2 3 378.406 1.362 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC000833738529 604725523 /nfs/dbraw/zinc/72/55/23/604725523.db2.gz ZHQTZGPZYVERAQ-UHFFFAOYSA-N -2 3 393.421 1.276 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1[O-] ZINC000790406759 655048144 /nfs/dbraw/zinc/04/81/44/655048144.db2.gz GWBOWDNXCFMQLE-UHFFFAOYSA-N -2 3 384.435 1.304 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594171347 959003066 /nfs/dbraw/zinc/00/30/66/959003066.db2.gz LGESNBNRQUWQCM-UKRRQHHQSA-N -2 3 390.417 1.807 20 10 GDCDHL CN(C)c1nc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc(=O)[n-]1 ZINC001598354616 991471724 /nfs/dbraw/zinc/47/17/24/991471724.db2.gz NRDWDBZBCAXPKB-UHFFFAOYSA-N -2 3 380.788 1.334 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001599761052 992122727 /nfs/dbraw/zinc/12/27/27/992122727.db2.gz NFRMKYMQCPPNHY-UHFFFAOYSA-N -2 3 384.454 1.919 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000823387655 606335126 /nfs/dbraw/zinc/33/51/26/606335126.db2.gz SMEKVORATAESCR-WEVVVXLNSA-N -2 3 381.464 1.994 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000823387655 606335128 /nfs/dbraw/zinc/33/51/28/606335128.db2.gz SMEKVORATAESCR-WEVVVXLNSA-N -2 3 381.464 1.994 20 10 GDCDHL Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261625 608446527 /nfs/dbraw/zinc/44/65/27/608446527.db2.gz LOMLYYFQNXSPPD-UHFFFAOYSA-N -2 3 380.368 1.455 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1OC ZINC000749155567 654823352 /nfs/dbraw/zinc/82/33/52/654823352.db2.gz WBECZGPFZVTKRW-UHFFFAOYSA-N -2 3 389.430 1.792 20 10 GDCDHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccnc1 ZINC001592302916 977652221 /nfs/dbraw/zinc/65/22/21/977652221.db2.gz DOABBNQKRPQRPC-KRWDZBQOSA-N -2 3 393.421 1.279 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000738163792 599859882 /nfs/dbraw/zinc/85/98/82/599859882.db2.gz GWSUEITXCLVLDQ-AWEZNQCLSA-N -2 3 378.406 1.189 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000832699354 601320983 /nfs/dbraw/zinc/32/09/83/601320983.db2.gz GTEOILUAZBTQTB-NYYWCZLTSA-N -2 3 396.446 1.957 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000833738490 604721530 /nfs/dbraw/zinc/72/15/30/604721530.db2.gz YBUYCOIZQUVBOF-CQSZACIVSA-N -2 3 398.824 1.973 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(COC)cc2)ccc1[O-] ZINC000790407515 655048153 /nfs/dbraw/zinc/04/81/53/655048153.db2.gz MPGWYZZPDJQIFW-UHFFFAOYSA-N -2 3 386.451 1.248 20 10 GDCDHL CCN(CCS(=O)(=O)CC(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000287180287 950526158 /nfs/dbraw/zinc/52/61/58/950526158.db2.gz KBMHAJZHTICPNE-UHFFFAOYSA-N -2 3 380.260 1.476 20 10 GDCDHL CC(=O)c1cc(F)cc(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[O-] ZINC000844839427 969248101 /nfs/dbraw/zinc/24/81/01/969248101.db2.gz VUUJCGMKLYJLBX-CYBMUJFWSA-N -2 3 378.400 1.631 20 10 GDCDHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000299080039 531956111 /nfs/dbraw/zinc/95/61/11/531956111.db2.gz RVNRRDJMQFGTNS-UHFFFAOYSA-N -2 3 382.463 1.761 20 10 GDCDHL COc1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)cc1-c1nnn[n-]1 ZINC000821787352 599379249 /nfs/dbraw/zinc/37/92/49/599379249.db2.gz RQIFRVSXILNBTH-YHYXMXQVSA-N -2 3 377.407 1.161 20 10 GDCDHL COc1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)cc1-c1nn[n-]n1 ZINC000821787352 599379252 /nfs/dbraw/zinc/37/92/52/599379252.db2.gz RQIFRVSXILNBTH-YHYXMXQVSA-N -2 3 377.407 1.161 20 10 GDCDHL CC(=O)N[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC000736150950 600314259 /nfs/dbraw/zinc/31/42/59/600314259.db2.gz WBFUSXWRJYVELJ-OAHLLOKOSA-N -2 3 397.859 1.059 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC000833738493 605857031 /nfs/dbraw/zinc/85/70/31/605857031.db2.gz YJUSTXWOJQSHTJ-UHFFFAOYSA-N -2 3 392.433 1.533 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)ccc1[O-] ZINC000790408412 655048376 /nfs/dbraw/zinc/04/83/76/655048376.db2.gz YGTQVXCFWDZXOA-UHFFFAOYSA-N -2 3 390.414 1.249 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594171348 959003465 /nfs/dbraw/zinc/00/34/65/959003465.db2.gz LGESNBNRQUWQCM-ZFWWWQNUSA-N -2 3 390.417 1.807 20 10 GDCDHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000833418329 979182537 /nfs/dbraw/zinc/18/25/37/979182537.db2.gz MOAUJMBSVZUNEC-LLVKDONJSA-N -2 3 384.454 1.727 20 10 GDCDHL COC(=O)C1CCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC000737583600 600144006 /nfs/dbraw/zinc/14/40/06/600144006.db2.gz HWBXNSGBCQBRHT-UHFFFAOYSA-N -2 3 398.843 1.344 20 10 GDCDHL CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000737226222 600626739 /nfs/dbraw/zinc/62/67/39/600626739.db2.gz GAGMRTNUAMFQOG-UHFFFAOYSA-N -2 3 398.462 1.876 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829691297 604067591 /nfs/dbraw/zinc/06/75/91/604067591.db2.gz BEEFVDPOEGHVIW-NEPJUHHUSA-N -2 3 383.426 1.121 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1[O-] ZINC000790407758 655048046 /nfs/dbraw/zinc/04/80/46/655048046.db2.gz PNMLCTVCHXBNBW-UHFFFAOYSA-N -2 3 378.378 1.379 20 10 GDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(C(=O)OC)s1 ZINC000758168999 655052839 /nfs/dbraw/zinc/05/28/39/655052839.db2.gz JVRQVYGJBJNXHZ-UHFFFAOYSA-N -2 3 389.382 1.967 20 10 GDCDHL COc1ccc(N2CCC([N-]S(=O)(=O)c3csnc3C(=O)[O-])CC2)cc1 ZINC001599585365 993606376 /nfs/dbraw/zinc/60/63/76/993606376.db2.gz DRJQNAVUIQHLST-UHFFFAOYSA-N -2 3 397.478 1.797 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000832699356 601320955 /nfs/dbraw/zinc/32/09/55/601320955.db2.gz GTEOILUAZBTQTB-WCIBSUBMSA-N -2 3 396.446 1.957 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833738181 604745680 /nfs/dbraw/zinc/74/56/80/604745680.db2.gz QUXURCXJXPADDH-UHFFFAOYSA-N -2 3 388.398 1.696 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1[O-] ZINC000790407601 655048198 /nfs/dbraw/zinc/04/81/98/655048198.db2.gz OJURZFXBLHDLGJ-UHFFFAOYSA-N -2 3 384.435 1.131 20 10 GDCDHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808115907 655098691 /nfs/dbraw/zinc/09/86/91/655098691.db2.gz YJSBJVIROWRTIO-UHFFFAOYSA-N -2 3 380.806 1.633 20 10 GDCDHL CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnc([O-])n(C)c1=O ZINC000267931677 531462629 /nfs/dbraw/zinc/46/26/29/531462629.db2.gz FOHJRLRJVOIVEU-UHFFFAOYSA-N -2 3 382.214 1.616 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001599761608 992130211 /nfs/dbraw/zinc/13/02/11/992130211.db2.gz VNWTXQSPTQZFMN-UHFFFAOYSA-N -2 3 378.406 1.434 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c(C)onc2N)cc1OC ZINC000844650780 655412455 /nfs/dbraw/zinc/41/24/55/655412455.db2.gz VQDVYJXDTMFZKP-UHFFFAOYSA-N -2 3 390.443 1.136 20 10 GDCDHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001611361329 971005295 /nfs/dbraw/zinc/00/52/95/971005295.db2.gz BFDFNAKYHMXQDI-NVXWUHKLSA-N -2 3 385.376 1.817 20 10 GDCDHL CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001597231732 987191547 /nfs/dbraw/zinc/19/15/47/987191547.db2.gz VDYSXYRHGLWWSE-UHFFFAOYSA-N -2 3 384.435 1.947 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000795362309 978832208 /nfs/dbraw/zinc/83/22/08/978832208.db2.gz MFDOUQASFDSXQE-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000797431605 978833933 /nfs/dbraw/zinc/83/39/33/978833933.db2.gz UHNIVDTUYLHJQS-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001599760407 992114406 /nfs/dbraw/zinc/11/44/06/992114406.db2.gz BEMZIOUUINFGDZ-UHFFFAOYSA-N -2 3 399.812 1.440 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1O ZINC000823387696 606866869 /nfs/dbraw/zinc/86/68/69/606866869.db2.gz UVJCTXSQIGEBAA-UHFFFAOYSA-N -3 3 395.784 1.725 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1O ZINC000823387696 606866871 /nfs/dbraw/zinc/86/68/71/606866871.db2.gz UVJCTXSQIGEBAA-UHFFFAOYSA-N -3 3 395.784 1.725 20 10 GDCDHL O=C([O-])c1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)[n-]n1 ZINC001594732652 957052798 /nfs/dbraw/zinc/05/27/98/957052798.db2.gz UHOAOHRFTZNXMI-LBPRGKRZSA-N -2 3 378.816 1.861 20 10 GDCDHL O=C([O-])c1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)[n-]n1 ZINC001594732652 957052813 /nfs/dbraw/zinc/05/28/13/957052813.db2.gz UHOAOHRFTZNXMI-LBPRGKRZSA-N -2 3 378.816 1.861 20 10 GDCDHL COc1ccc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])cc1 ZINC001599525596 997552701 /nfs/dbraw/zinc/55/27/01/997552701.db2.gz UQQPCKCQSBDKSD-OAHLLOKOSA-N -2 3 394.405 1.328 20 10 GDCDHL Cc1cccc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])c1 ZINC001594392736 958745898 /nfs/dbraw/zinc/74/58/98/958745898.db2.gz ITPGLXSVGPMHLD-HNNXBMFYSA-N -2 3 378.406 1.628 20 10 GDCDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001598967286 998445322 /nfs/dbraw/zinc/44/53/22/998445322.db2.gz AAMCNOTYHRJZRP-UHFFFAOYSA-N -2 3 383.353 1.495 20 10 GDCDHL C[C@@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N(C)C ZINC000267492075 531428974 /nfs/dbraw/zinc/42/89/74/531428974.db2.gz GGVJYLZRESSOOC-NSHDSACASA-N -2 3 383.495 1.934 20 10 GDCDHL CN(C)c1ccc([C@H](CNC(=O)c2cc3c(cc2[O-])OCO3)NC(=O)[O-])cc1 ZINC000828063558 603931881 /nfs/dbraw/zinc/93/18/81/603931881.db2.gz GWHLUCHCZIROMI-AWEZNQCLSA-N -2 3 387.392 1.926 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1O ZINC000826462325 609528937 /nfs/dbraw/zinc/52/89/37/609528937.db2.gz VFTVHCSMVRITKU-UHFFFAOYSA-N -3 3 395.784 1.725 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000797430968 655242085 /nfs/dbraw/zinc/24/20/85/655242085.db2.gz DMBKAIWOWWCMEG-UHFFFAOYSA-N -2 3 385.423 1.062 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cc1OC ZINC000863400933 655868456 /nfs/dbraw/zinc/86/84/56/655868456.db2.gz NMNKWMUBCRNTBV-UHFFFAOYSA-N -2 3 388.471 1.300 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001599761036 992122771 /nfs/dbraw/zinc/12/27/71/992122771.db2.gz LFZDXDPUOJPRCY-GFCCVEGCSA-N -2 3 384.454 1.775 20 10 GDCDHL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001591313078 992273954 /nfs/dbraw/zinc/27/39/54/992273954.db2.gz KKCOLZNIZPQQMP-UHFFFAOYSA-N -2 3 386.470 1.973 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000738164687 600648040 /nfs/dbraw/zinc/64/80/40/600648040.db2.gz WZFJUXCWIYSGGS-UHFFFAOYSA-N -2 3 394.405 1.157 20 10 GDCDHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC000833026436 601218715 /nfs/dbraw/zinc/21/87/15/601218715.db2.gz BUAFYTIBYOYTOY-UHFFFAOYSA-N -2 3 380.422 1.601 20 10 GDCDHL Cc1nc(C)c(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000830716821 603035161 /nfs/dbraw/zinc/03/51/61/603035161.db2.gz YLFMSWPVDWUGAR-INIZCTEOSA-N -2 3 387.440 1.533 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000833738171 604694015 /nfs/dbraw/zinc/69/40/15/604694015.db2.gz QNDBYPCFIWLADF-LLVKDONJSA-N -2 3 384.435 1.771 20 10 GDCDHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc2nsnc21 ZINC000823583492 606211196 /nfs/dbraw/zinc/21/11/96/606211196.db2.gz RMTGMQAIXZNLCX-UHFFFAOYSA-N -2 3 375.395 1.378 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000823387603 606392819 /nfs/dbraw/zinc/39/28/19/606392819.db2.gz QHPSPVNKRATEKX-RMKNXTFCSA-N -2 3 381.464 1.994 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594171381 959002154 /nfs/dbraw/zinc/00/21/54/959002154.db2.gz NAADUEPHCUDMPZ-CQSZACIVSA-N -2 3 382.369 1.459 20 10 GDCDHL COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3occc3C(=O)[O-])C2)cc1 ZINC001599585300 993605629 /nfs/dbraw/zinc/60/56/29/993605629.db2.gz CYRQZRLYYWTRFT-LBPRGKRZSA-N -2 3 380.422 1.791 20 10 GDCDHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808113915 655098612 /nfs/dbraw/zinc/09/86/12/655098612.db2.gz LXEJEBKHJDRUDL-UHFFFAOYSA-N -2 3 394.833 1.894 20 10 GDCDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001611361331 971005647 /nfs/dbraw/zinc/00/56/47/971005647.db2.gz BFDFNAKYHMXQDI-WBVHZDCISA-N -2 3 385.376 1.817 20 10 GDCDHL C[C@@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589115082 956089589 /nfs/dbraw/zinc/08/95/89/956089589.db2.gz MBVPMHQOIMUHCU-KRWDZBQOSA-N -2 3 378.406 1.494 20 10 GDCDHL COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3occc3C(=O)[O-])C2)cc1 ZINC001599585299 993605347 /nfs/dbraw/zinc/60/53/47/993605347.db2.gz CYRQZRLYYWTRFT-GFCCVEGCSA-N -2 3 380.422 1.791 20 10 GDCDHL O=C([O-])CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739783604 600144997 /nfs/dbraw/zinc/14/49/97/600144997.db2.gz BNYYEYIBICSYRN-UHFFFAOYSA-N -2 3 397.737 1.320 20 10 GDCDHL C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000739005701 602460501 /nfs/dbraw/zinc/46/05/01/602460501.db2.gz FFOGXPNGBKQODU-JTQLQIEISA-N -2 3 385.442 1.272 20 10 GDCDHL CN(C)c1ccc([C@@H](CNC(=O)c2cc3c(cc2[O-])OCO3)NC(=O)[O-])cc1 ZINC000828063559 603931856 /nfs/dbraw/zinc/93/18/56/603931856.db2.gz GWHLUCHCZIROMI-CQSZACIVSA-N -2 3 387.392 1.926 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000833738231 604707394 /nfs/dbraw/zinc/70/73/94/604707394.db2.gz UUNNYPYVAORXFA-HNNXBMFYSA-N -2 3 390.417 1.415 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833738230 604835457 /nfs/dbraw/zinc/83/54/57/604835457.db2.gz UTAGUBAGGIDYBS-UHFFFAOYSA-N -2 3 390.417 1.660 20 10 GDCDHL CN1CC[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000928557636 656916195 /nfs/dbraw/zinc/91/61/95/656916195.db2.gz PVYIRZYBDYUPMA-GFCCVEGCSA-N -2 3 381.479 1.688 20 10 GDCDHL CN(C)c1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001598314119 991292883 /nfs/dbraw/zinc/29/28/83/991292883.db2.gz BKCSOVMDXJQSHS-OAHLLOKOSA-N -2 3 381.454 1.625 20 10 GDCDHL CC(=O)N1CCC(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC000736135245 600143353 /nfs/dbraw/zinc/14/33/53/600143353.db2.gz PJDQLWKXXRXYDZ-UHFFFAOYSA-N -2 3 397.859 1.059 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000797431741 655242315 /nfs/dbraw/zinc/24/23/15/655242315.db2.gz XHANARQULOFNSJ-UHFFFAOYSA-N -2 3 385.423 1.062 20 10 GDCDHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000776435104 978748754 /nfs/dbraw/zinc/74/87/54/978748754.db2.gz YBWYPKFCGUBXCU-UHFFFAOYSA-N -2 3 378.406 1.570 20 10 GDCDHL COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000829592703 979003280 /nfs/dbraw/zinc/00/32/80/979003280.db2.gz FKFOGMDVJSZKQT-LBPRGKRZSA-N -2 3 380.422 1.791 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738163425 600103638 /nfs/dbraw/zinc/10/36/38/600103638.db2.gz DBSFOWITZBTKLA-UHFFFAOYSA-N -2 3 376.390 1.618 20 10 GDCDHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000833418331 979182809 /nfs/dbraw/zinc/18/28/09/979182809.db2.gz MOAUJMBSVZUNEC-NSHDSACASA-N -2 3 384.454 1.727 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1OC ZINC000055668768 530711473 /nfs/dbraw/zinc/71/14/73/530711473.db2.gz PWANSZZROHPUDU-UHFFFAOYSA-N -2 3 388.471 1.598 20 10 GDCDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000327649792 599906008 /nfs/dbraw/zinc/90/60/08/599906008.db2.gz VLIMDUSDNBYIDF-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL CN(Cc1cnn(C)c1)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737497261 600144515 /nfs/dbraw/zinc/14/45/15/600144515.db2.gz WQUFLGWXULDPHJ-UHFFFAOYSA-N -2 3 380.832 1.324 20 10 GDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822210688 607155662 /nfs/dbraw/zinc/15/56/62/607155662.db2.gz NKTPWNRNSQTLDY-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822210688 607155664 /nfs/dbraw/zinc/15/56/64/607155664.db2.gz NKTPWNRNSQTLDY-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)c1 ZINC000728014819 654882032 /nfs/dbraw/zinc/88/20/32/654882032.db2.gz HUIRTZPWLLNYPT-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1[O-] ZINC000790407766 655048160 /nfs/dbraw/zinc/04/81/60/655048160.db2.gz PUDJUNXLKJBAPV-UHFFFAOYSA-N -2 3 382.463 1.590 20 10 GDCDHL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808115441 655098585 /nfs/dbraw/zinc/09/85/85/655098585.db2.gz DLBACUANNMCUIC-UHFFFAOYSA-N -2 3 394.833 1.894 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001599760466 992113860 /nfs/dbraw/zinc/11/38/60/992113860.db2.gz GTIKBXPNMIFNTH-PIGZYNQJSA-N -2 3 382.438 1.481 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(CC(=O)[O-])cc2)c1 ZINC001599761051 992122933 /nfs/dbraw/zinc/12/29/33/992122933.db2.gz MYXKAWKDYOSFGN-UHFFFAOYSA-N -2 3 378.406 1.321 20 10 GDCDHL CC1(C)CCC[C@@](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])(C(=O)[O-])C1 ZINC001593891455 996736393 /nfs/dbraw/zinc/73/63/93/996736393.db2.gz CYJHRTWJKFQTIG-KRWDZBQOSA-N -2 3 384.454 1.917 20 10 GDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(C(=O)[O-])s1 ZINC001598955173 998227044 /nfs/dbraw/zinc/22/70/44/998227044.db2.gz IPGZHAAPOVADTC-UHFFFAOYSA-N -2 3 375.355 1.878 20 10 GDCDHL CN(C)CCN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000267515176 531430928 /nfs/dbraw/zinc/43/09/28/531430928.db2.gz NCPIQMMRNBTAQT-UHFFFAOYSA-N -2 3 383.495 1.888 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829691283 603923671 /nfs/dbraw/zinc/92/36/71/603923671.db2.gz AOGAPLYVMDLQMT-YOGCLGLASA-N -2 3 383.426 1.167 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1OC ZINC000917759363 660221680 /nfs/dbraw/zinc/22/16/80/660221680.db2.gz OUCCRSVFEYROTL-UHFFFAOYSA-N -2 3 389.455 1.862 20 10 GDCDHL Cc1nnc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[n-]c1=O ZINC000737534736 598318921 /nfs/dbraw/zinc/31/89/21/598318921.db2.gz WFWUXVORTQNEQN-UHFFFAOYSA-N -2 3 378.809 1.033 20 10 GDCDHL Cc1nnc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[n-]c1=O ZINC000737534736 598318922 /nfs/dbraw/zinc/31/89/22/598318922.db2.gz WFWUXVORTQNEQN-UHFFFAOYSA-N -2 3 378.809 1.033 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000797431069 978833990 /nfs/dbraw/zinc/83/39/90/978833990.db2.gz FXOMPOUMPQPJBW-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cccc(O)c1[O-])C[C@H]2C(=O)[O-] ZINC001589939156 988701626 /nfs/dbraw/zinc/70/16/26/988701626.db2.gz MVEOPSJUCJRWMC-LBPRGKRZSA-N -2 3 392.408 1.492 20 10 GDCDHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000833411976 604719840 /nfs/dbraw/zinc/71/98/40/604719840.db2.gz ROVYQVYSAWJFFE-MEDUHNTESA-N -2 3 392.433 1.956 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833738151 604730780 /nfs/dbraw/zinc/73/07/80/604730780.db2.gz PSTIIHAEXRALER-CQSZACIVSA-N -2 3 382.369 1.459 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000023398105 644270279 /nfs/dbraw/zinc/27/02/79/644270279.db2.gz NUYALJALQMPGNQ-UHFFFAOYSA-N -2 3 387.395 1.473 20 10 GDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1O ZINC001260398905 960720054 /nfs/dbraw/zinc/72/00/54/960720054.db2.gz HFJDIJQEJSHJAQ-UHFFFAOYSA-N -2 3 378.406 1.728 20 10 GDCDHL C[C@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1 ZINC001592303733 977659982 /nfs/dbraw/zinc/65/99/82/977659982.db2.gz MBUBAZQHGVXDIE-QGZVFWFLSA-N -2 3 393.421 1.279 20 10 GDCDHL CCn1cc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)CC)c(OC)c2)cn1 ZINC000066582500 530764103 /nfs/dbraw/zinc/76/41/03/530764103.db2.gz APFHDXZWTQHONR-UHFFFAOYSA-N -2 3 388.471 1.474 20 10 GDCDHL Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737629495 598438832 /nfs/dbraw/zinc/43/88/32/598438832.db2.gz WIXBTCWHKHJEJU-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL Cn1nccc1S(=O)(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737629495 598438833 /nfs/dbraw/zinc/43/88/33/598438833.db2.gz WIXBTCWHKHJEJU-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL O=C([O-])CN(CC(=O)NC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783621 600145086 /nfs/dbraw/zinc/14/50/86/600145086.db2.gz DAWDDYBLHPRBKU-UHFFFAOYSA-N -2 3 383.832 1.701 20 10 GDCDHL O=C(NCc1nc[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000751062369 654870605 /nfs/dbraw/zinc/87/06/05/654870605.db2.gz DYOHLMNSVBCTKD-UHFFFAOYSA-N -2 3 379.423 1.303 20 10 GDCDHL O=C(NCc1nnc[nH]1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000751062369 654870608 /nfs/dbraw/zinc/87/06/08/654870608.db2.gz DYOHLMNSVBCTKD-UHFFFAOYSA-N -2 3 379.423 1.303 20 10 GDCDHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808113497 655098515 /nfs/dbraw/zinc/09/85/15/655098515.db2.gz BCMQUCNNPRWEFD-UHFFFAOYSA-N -2 3 380.806 1.633 20 10 GDCDHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000811833039 655205603 /nfs/dbraw/zinc/20/56/03/655205603.db2.gz JPGUXHOHAZRQGN-UHFFFAOYSA-N -2 3 386.386 1.071 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001599760443 992113973 /nfs/dbraw/zinc/11/39/73/992113973.db2.gz DYSSYVBYFUNLDL-IPYPFGDCSA-N -2 3 396.465 1.869 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001599761597 992130273 /nfs/dbraw/zinc/13/02/73/992130273.db2.gz VJDFBHOLTJACOT-UHFFFAOYSA-N -2 3 390.417 1.660 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000327301681 600625658 /nfs/dbraw/zinc/62/56/58/600625658.db2.gz QRSSNKJUIAPGKR-UHFFFAOYSA-N -2 3 384.435 1.486 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c[nH]nc2Cl)cc1OC ZINC000829748127 654912174 /nfs/dbraw/zinc/91/21/74/654912174.db2.gz FWHSPROXGKOKCG-UHFFFAOYSA-N -2 3 394.862 1.634 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1[O-] ZINC000790406882 655048114 /nfs/dbraw/zinc/04/81/14/655048114.db2.gz IXPOWDMGVOQRHR-UHFFFAOYSA-N -2 3 399.475 1.711 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000833738172 604693956 /nfs/dbraw/zinc/69/39/56/604693956.db2.gz QNDBYPCFIWLADF-NSHDSACASA-N -2 3 384.435 1.771 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000833738503 604730708 /nfs/dbraw/zinc/73/07/08/604730708.db2.gz YQHJSSSZJZPFDR-GXTWGEPZSA-N -2 3 384.454 1.917 20 10 GDCDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)c([O-])cc3F)cc2[nH]c1=O ZINC000808113790 655098655 /nfs/dbraw/zinc/09/86/55/655098655.db2.gz JGZXEOFTEUZUDD-UHFFFAOYSA-N -2 3 385.760 1.515 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000833738506 604731076 /nfs/dbraw/zinc/73/10/76/604731076.db2.gz YQHJSSSZJZPFDR-TZMCWYRMSA-N -2 3 384.454 1.917 20 10 GDCDHL O=C(NCc1cnc[nH]1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000751068482 654871254 /nfs/dbraw/zinc/87/12/54/654871254.db2.gz WDGSSIOFNOGGFV-UHFFFAOYSA-N -2 3 378.435 1.908 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001599760446 992113986 /nfs/dbraw/zinc/11/39/86/992113986.db2.gz DYSSYVBYFUNLDL-YDHLFZDLSA-N -2 3 396.465 1.869 20 10 GDCDHL CC[C@@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833642676 604707873 /nfs/dbraw/zinc/70/78/73/604707873.db2.gz FXLKKRFYAZTXLD-SFHVURJKSA-N -2 3 392.433 1.884 20 10 GDCDHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776748892 654707092 /nfs/dbraw/zinc/70/70/92/654707092.db2.gz OOJXSQDPFYILRY-UHFFFAOYSA-N -3 3 384.797 1.661 20 10 GDCDHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000757655800 655041880 /nfs/dbraw/zinc/04/18/80/655041880.db2.gz LRUBDLLNUZGMQV-UHFFFAOYSA-N -2 3 385.419 1.436 20 10 GDCDHL CN1CC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000928557639 656916263 /nfs/dbraw/zinc/91/62/63/656916263.db2.gz PVYIRZYBDYUPMA-LBPRGKRZSA-N -2 3 381.479 1.688 20 10 GDCDHL Cc1cc(=O)n2nc(CN(CC(=O)[O-])Cc3cc(Cl)ccc3[O-])sc2n1 ZINC000738313923 600315025 /nfs/dbraw/zinc/31/50/25/600315025.db2.gz BWFOFQHYGDLMGI-UHFFFAOYSA-N -2 3 394.840 1.905 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000833737868 604705233 /nfs/dbraw/zinc/70/52/33/604705233.db2.gz LUWYOTWMPNWESZ-UHFFFAOYSA-N -2 3 378.406 1.491 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594171345 959002192 /nfs/dbraw/zinc/00/21/92/959002192.db2.gz LGESNBNRQUWQCM-DZGCQCFKSA-N -2 3 390.417 1.807 20 10 GDCDHL COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)C2)cc1 ZINC001599586975 993626972 /nfs/dbraw/zinc/62/69/72/993626972.db2.gz ZQIIHQYKGQERPU-GFCCVEGCSA-N -2 3 380.422 1.852 20 10 GDCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)ccc1C(=O)[O-] ZINC000327988744 600887632 /nfs/dbraw/zinc/88/76/32/600887632.db2.gz CGQJXBOPGFZOKN-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL CNC(=O)Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC000830997395 601226139 /nfs/dbraw/zinc/22/61/39/601226139.db2.gz ZBMUCCMIIRGHCU-UHFFFAOYSA-N -2 3 383.857 1.877 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000105546096 601320535 /nfs/dbraw/zinc/32/05/35/601320535.db2.gz ZQLHVPOEKIJJGT-UHFFFAOYSA-N -2 3 388.398 1.696 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738164583 603482436 /nfs/dbraw/zinc/48/24/36/603482436.db2.gz VCQPIBXVCFEUGO-UHFFFAOYSA-N -2 3 393.421 1.826 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1O ZINC000823387796 606866986 /nfs/dbraw/zinc/86/69/86/606866986.db2.gz YHUUEOPDQQTTRM-UHFFFAOYSA-N -3 3 395.784 1.725 20 10 GDCDHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc2nonc21 ZINC000826492556 609339040 /nfs/dbraw/zinc/33/90/40/609339040.db2.gz QXEGUZPAGZAOGL-UHFFFAOYSA-N -2 3 377.773 1.857 20 10 GDCDHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc2nonc21 ZINC000826492556 609339042 /nfs/dbraw/zinc/33/90/42/609339042.db2.gz QXEGUZPAGZAOGL-UHFFFAOYSA-N -2 3 377.773 1.857 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594171346 959003188 /nfs/dbraw/zinc/00/31/88/959003188.db2.gz LGESNBNRQUWQCM-HIFRSBDPSA-N -2 3 390.417 1.807 20 10 GDCDHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC001592302642 977652082 /nfs/dbraw/zinc/65/20/82/977652082.db2.gz CWBMYQMMJFZPQQ-KRWDZBQOSA-N -2 3 393.421 1.279 20 10 GDCDHL CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2)CC1 ZINC001596442315 984135422 /nfs/dbraw/zinc/13/54/22/984135422.db2.gz RURPREJPWJLIMF-UHFFFAOYSA-N -2 3 390.465 1.723 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001599760445 992114352 /nfs/dbraw/zinc/11/43/52/992114352.db2.gz DYSSYVBYFUNLDL-VNHYZAJKSA-N -2 3 396.465 1.869 20 10 GDCDHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001598923301 997609046 /nfs/dbraw/zinc/60/90/46/997609046.db2.gz HJBVDKDYVQPABG-UHFFFAOYSA-N -2 3 383.353 1.495 20 10 GDCDHL CCn1c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[n-]c1=S ZINC000067119164 530773053 /nfs/dbraw/zinc/77/30/53/530773053.db2.gz QCORYRXDMUJHQN-UHFFFAOYSA-N -2 3 385.471 1.010 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000833738023 604586221 /nfs/dbraw/zinc/58/62/21/604586221.db2.gz PHXFLOWBMDQDOR-UHFFFAOYSA-N -2 3 378.406 1.434 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1C(=O)[O-] ZINC000776503903 654692074 /nfs/dbraw/zinc/69/20/74/654692074.db2.gz FNRIRZQEKCGYRK-UHFFFAOYSA-N -2 3 385.423 1.139 20 10 GDCDHL CN(C)C1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C1 ZINC000270845769 531929431 /nfs/dbraw/zinc/92/94/31/531929431.db2.gz OIERFMANIBQOKZ-UHFFFAOYSA-N -2 3 381.479 1.641 20 10 GDCDHL COc1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)cc1-c1nnn[n-]1 ZINC000821787351 599379699 /nfs/dbraw/zinc/37/96/99/599379699.db2.gz RQIFRVSXILNBTH-BJMVGYQFSA-N -2 3 377.407 1.161 20 10 GDCDHL COc1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)cc1-c1nn[n-]n1 ZINC000821787351 599379701 /nfs/dbraw/zinc/37/97/01/599379701.db2.gz RQIFRVSXILNBTH-BJMVGYQFSA-N -2 3 377.407 1.161 20 10 GDCDHL CCn1cnc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1 ZINC000753065867 654941491 /nfs/dbraw/zinc/94/14/91/654941491.db2.gz MBHZTPZVPKLUQF-UHFFFAOYSA-N -2 3 388.471 1.474 20 10 GDCDHL C[C@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC001592302644 977652458 /nfs/dbraw/zinc/65/24/58/977652458.db2.gz CWBMYQMMJFZPQQ-QGZVFWFLSA-N -2 3 393.421 1.279 20 10 GDCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000776434259 978748696 /nfs/dbraw/zinc/74/86/96/978748696.db2.gz BCBSAMNIAGHSHS-UHFFFAOYSA-N -2 3 388.401 1.727 20 10 GDCDHL O=C([O-])CN(CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000739783803 600314613 /nfs/dbraw/zinc/31/46/13/600314613.db2.gz LHQWOXIVHBSKLI-UHFFFAOYSA-N -2 3 398.843 1.298 20 10 GDCDHL CC[C@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833642675 604708430 /nfs/dbraw/zinc/70/84/30/604708430.db2.gz FXLKKRFYAZTXLD-GOSISDBHSA-N -2 3 392.433 1.884 20 10 GDCDHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000753523599 654952210 /nfs/dbraw/zinc/95/22/10/654952210.db2.gz ZESPTQKXXUFCED-UHFFFAOYSA-N -2 3 386.407 1.646 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)ccc1[O-] ZINC000790406113 655047890 /nfs/dbraw/zinc/04/78/90/655047890.db2.gz CLTSRZIZGRNJPN-UHFFFAOYSA-N -2 3 388.492 1.823 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)ccc1[O-] ZINC000790407805 655048078 /nfs/dbraw/zinc/04/80/78/655048078.db2.gz RLFFIVHAUBRZGD-UHFFFAOYSA-N -2 3 390.414 1.249 20 10 GDCDHL O=C([O-])c1cnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC001602507785 971212496 /nfs/dbraw/zinc/21/24/96/971212496.db2.gz YIUOYBAVTBJCHK-ZDUSSCGKSA-N -2 3 390.827 1.928 20 10 GDCDHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC001598867278 996715000 /nfs/dbraw/zinc/71/50/00/996715000.db2.gz ROFGZGMQXNIWLZ-UHFFFAOYSA-N -2 3 381.362 1.443 20 10 GDCDHL CC(C)n1c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[n-]c1=S ZINC000066640211 530765588 /nfs/dbraw/zinc/76/55/88/530765588.db2.gz CRHAOMGEDGDTSZ-UHFFFAOYSA-N -2 3 385.471 1.529 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000738164594 599951119 /nfs/dbraw/zinc/95/11/19/599951119.db2.gz VWHNMIIQRFIDQS-UHFFFAOYSA-N -2 3 394.405 1.271 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832699237 600780642 /nfs/dbraw/zinc/78/06/42/600780642.db2.gz ARLPFNJLGAZRAH-AWEZNQCLSA-N -2 3 378.406 1.362 20 10 GDCDHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000825235171 604299018 /nfs/dbraw/zinc/29/90/18/604299018.db2.gz CPKWMWRZDZYMBT-GHMZBOCLSA-N -2 3 385.442 1.272 20 10 GDCDHL Cc1ccc([C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])cc1 ZINC000738567645 978562288 /nfs/dbraw/zinc/56/22/88/978562288.db2.gz RWRMDIBXDBRIEY-OAHLLOKOSA-N -2 3 392.433 1.670 20 10 GDCDHL CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])[C@H](C(=O)[O-])C1 ZINC001590034642 989049641 /nfs/dbraw/zinc/04/96/41/989049641.db2.gz IGSIBUPAVULXTH-LBPRGKRZSA-N -2 3 380.397 1.634 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000833738504 604730952 /nfs/dbraw/zinc/73/09/52/604730952.db2.gz YQHJSSSZJZPFDR-JSGCOSHPSA-N -2 3 384.454 1.917 20 10 GDCDHL CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cccc(O)c1[O-])C[C@@H]2C(=O)[O-] ZINC001589939153 988701606 /nfs/dbraw/zinc/70/16/06/988701606.db2.gz MVEOPSJUCJRWMC-GFCCVEGCSA-N -2 3 392.408 1.492 20 10 GDCDHL O=C([O-])CN(CC(=O)NC(=O)NCc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000739783883 600145054 /nfs/dbraw/zinc/14/50/54/600145054.db2.gz UHQACGFIYANGKA-UHFFFAOYSA-N -2 3 395.799 1.551 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000833738521 604692520 /nfs/dbraw/zinc/69/25/20/604692520.db2.gz ZHEMEXDCYQCGKC-AWEZNQCLSA-N -2 3 378.406 1.710 20 10 GDCDHL CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001590034641 989049318 /nfs/dbraw/zinc/04/93/18/989049318.db2.gz IGSIBUPAVULXTH-GFCCVEGCSA-N -2 3 380.397 1.634 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC000833738175 605272569 /nfs/dbraw/zinc/27/25/69/605272569.db2.gz QPASMRTUHFVGGU-AWEZNQCLSA-N -2 3 380.378 1.025 20 10 GDCDHL Cc1ccc([C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])cc1 ZINC000738567642 978562165 /nfs/dbraw/zinc/56/21/65/978562165.db2.gz RWRMDIBXDBRIEY-HNNXBMFYSA-N -2 3 392.433 1.670 20 10 GDCDHL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001598516990 992628143 /nfs/dbraw/zinc/62/81/43/992628143.db2.gz RGDVXTQKVRTIPO-UHFFFAOYSA-N -2 3 379.394 1.129 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000738163793 599859871 /nfs/dbraw/zinc/85/98/71/599859871.db2.gz GWSUEITXCLVLDQ-CQSZACIVSA-N -2 3 378.406 1.189 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(COC)c2)ccc1[O-] ZINC000790408219 655048060 /nfs/dbraw/zinc/04/80/60/655048060.db2.gz XAZOYKJNSAECFR-UHFFFAOYSA-N -2 3 386.451 1.248 20 10 GDCDHL O=C([O-])c1cnc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC001602507784 971212553 /nfs/dbraw/zinc/21/25/53/971212553.db2.gz YIUOYBAVTBJCHK-CYBMUJFWSA-N -2 3 390.827 1.928 20 10 GDCDHL C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114902 956088530 /nfs/dbraw/zinc/08/85/30/956088530.db2.gz JPUPOPQQIHEIPC-TVYUQYBPSA-N -2 3 384.454 1.629 20 10 GDCDHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C(=O)[O-])ccc21 ZINC000776434965 978748810 /nfs/dbraw/zinc/74/88/10/978748810.db2.gz UDLACUWYYQTKQY-UHFFFAOYSA-N -2 3 376.390 1.800 20 10 GDCDHL COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)C2)cc1 ZINC001599586976 993627161 /nfs/dbraw/zinc/62/71/61/993627161.db2.gz ZQIIHQYKGQERPU-LBPRGKRZSA-N -2 3 380.422 1.852 20 10 GDCDHL COc1ccc([C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])cc1 ZINC001599525595 997552958 /nfs/dbraw/zinc/55/29/58/997552958.db2.gz UQQPCKCQSBDKSD-HNNXBMFYSA-N -2 3 394.405 1.328 20 10 GDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822210638 599303944 /nfs/dbraw/zinc/30/39/44/599303944.db2.gz LJNBXWWLLXDGOS-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822210638 599303946 /nfs/dbraw/zinc/30/39/46/599303946.db2.gz LJNBXWWLLXDGOS-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000833738496 604704904 /nfs/dbraw/zinc/70/49/04/604704904.db2.gz YKKPQSBXUBPTTO-HONMWMINSA-N -2 3 382.438 1.622 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000823387604 606392832 /nfs/dbraw/zinc/39/28/32/606392832.db2.gz QHPSPVNKRATEKX-TWGQIWQCSA-N -2 3 381.464 1.994 20 10 GDCDHL CC1(C)CCC[C@](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])(C(=O)[O-])C1 ZINC001593891459 996736375 /nfs/dbraw/zinc/73/63/75/996736375.db2.gz CYJHRTWJKFQTIG-QGZVFWFLSA-N -2 3 384.454 1.917 20 10 GDCDHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC000833026766 601217836 /nfs/dbraw/zinc/21/78/36/601217836.db2.gz KAPFEOJOLRJEDW-UHFFFAOYSA-N -2 3 398.412 1.740 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000833738523 604692648 /nfs/dbraw/zinc/69/26/48/604692648.db2.gz ZHEMEXDCYQCGKC-CQSZACIVSA-N -2 3 378.406 1.710 20 10 GDCDHL Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000822223801 606866760 /nfs/dbraw/zinc/86/67/60/606866760.db2.gz KXCNYWZUZMXOQW-UHFFFAOYSA-N -2 3 375.366 1.380 20 10 GDCDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000327684115 645269627 /nfs/dbraw/zinc/26/96/27/645269627.db2.gz FVCXVMLOVMANOB-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)ccc1[O-] ZINC000790406095 655047804 /nfs/dbraw/zinc/04/78/04/655047804.db2.gz CEOQAVUMQRURKA-UHFFFAOYSA-N -2 3 384.435 1.304 20 10 GDCDHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(Br)o1 ZINC000228403284 960013112 /nfs/dbraw/zinc/01/31/12/960013112.db2.gz YYKHZGOKNIENFX-UHFFFAOYSA-N -2 3 376.184 1.924 20 10 GDCDHL CC(=O)c1cc(F)cc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[O-] ZINC000844839428 969247778 /nfs/dbraw/zinc/24/77/78/969247778.db2.gz VUUJCGMKLYJLBX-ZDUSSCGKSA-N -2 3 378.400 1.631 20 10 GDCDHL COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000829592702 979003192 /nfs/dbraw/zinc/00/31/92/979003192.db2.gz FKFOGMDVJSZKQT-GFCCVEGCSA-N -2 3 380.422 1.791 20 10 GDCDHL C[C@@H](CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)[O-] ZINC001592806421 979469791 /nfs/dbraw/zinc/46/97/91/979469791.db2.gz HHBFHZKUHYUNKD-FZMZJTMJSA-N -2 3 390.889 1.650 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1OC ZINC000288481183 532291959 /nfs/dbraw/zinc/29/19/59/532291959.db2.gz LEDOPUKISPRXPZ-UHFFFAOYSA-N -2 3 388.471 1.300 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001599760444 992114138 /nfs/dbraw/zinc/11/41/38/992114138.db2.gz DYSSYVBYFUNLDL-KCQAQPDRSA-N -2 3 396.465 1.869 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC001598673074 994791414 /nfs/dbraw/zinc/79/14/14/994791414.db2.gz FYTWSOTVSVBDTL-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000833738497 604705155 /nfs/dbraw/zinc/70/51/55/604705155.db2.gz YKKPQSBXUBPTTO-SWHYSGLUSA-N -2 3 382.438 1.622 20 10 GDCDHL CCOc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)c1 ZINC000799926509 654863850 /nfs/dbraw/zinc/86/38/50/654863850.db2.gz SCIMHGZJMYKLEQ-UHFFFAOYSA-N -2 3 386.451 1.500 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1[O-] ZINC000790406136 655047861 /nfs/dbraw/zinc/04/78/61/655047861.db2.gz CUVTYJGZYAMCPY-UHFFFAOYSA-N -2 3 394.833 1.894 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739999657 602653659 /nfs/dbraw/zinc/65/36/59/602653659.db2.gz FZAUINHPCDLPFN-NSHDSACASA-N -2 3 385.442 1.274 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000833737217 604720543 /nfs/dbraw/zinc/72/05/43/604720543.db2.gz FMUUMXRCWYORKL-INIZCTEOSA-N -2 3 390.417 1.588 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000833738489 604722072 /nfs/dbraw/zinc/72/20/72/604722072.db2.gz YBUYCOIZQUVBOF-AWEZNQCLSA-N -2 3 398.824 1.973 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000823387043 606866998 /nfs/dbraw/zinc/86/69/98/606866998.db2.gz BNWRWJPGHONWEM-UHFFFAOYSA-N -3 3 379.329 1.210 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000823387043 606866999 /nfs/dbraw/zinc/86/69/99/606866999.db2.gz BNWRWJPGHONWEM-UHFFFAOYSA-N -3 3 379.329 1.210 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1OC ZINC000727112934 654868217 /nfs/dbraw/zinc/86/82/17/654868217.db2.gz MNJMAWBKUALFNY-UHFFFAOYSA-N -2 3 388.471 1.300 20 10 GDCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000740176867 599772503 /nfs/dbraw/zinc/77/25/03/599772503.db2.gz VAQQNXDJIYYCPW-UHFFFAOYSA-N -2 3 384.385 1.432 20 10 GDCDHL CC(=O)c1cc(CN(C)[C@@H]2CCN(C(=O)[O-])C2)c([O-])c(CN2CCOCC2)c1 ZINC000823628251 603594608 /nfs/dbraw/zinc/59/46/08/603594608.db2.gz NYYWGNOKIUGJNR-GOSISDBHSA-N -2 3 391.468 1.611 20 10 GDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C(=O)[O-])c2)cc1 ZINC000728015900 654882018 /nfs/dbraw/zinc/88/20/18/654882018.db2.gz ZCZSCHIUCYMLQP-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL Cn1ncc2c1nc(CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-])[nH]c2=O ZINC000739060098 600314782 /nfs/dbraw/zinc/31/47/82/600314782.db2.gz SLDATAJAVKSTOO-UHFFFAOYSA-N -2 3 377.788 1.515 20 10 GDCDHL C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000825235172 604299250 /nfs/dbraw/zinc/29/92/50/604299250.db2.gz CPKWMWRZDZYMBT-MNOVXSKESA-N -2 3 385.442 1.272 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000833738495 604705147 /nfs/dbraw/zinc/70/51/47/604705147.db2.gz YKKPQSBXUBPTTO-GDLCADMTSA-N -2 3 382.438 1.622 20 10 GDCDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000023398252 644270260 /nfs/dbraw/zinc/27/02/60/644270260.db2.gz XQYOEWXBVBBOBA-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL C[C@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccnc1 ZINC001592302919 977652286 /nfs/dbraw/zinc/65/22/86/977652286.db2.gz DOABBNQKRPQRPC-QGZVFWFLSA-N -2 3 393.421 1.279 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001599760366 992112761 /nfs/dbraw/zinc/11/27/61/992112761.db2.gz AMNOENSDBQFPTK-UHFFFAOYSA-N -2 3 384.332 1.243 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001599761037 992122985 /nfs/dbraw/zinc/12/29/85/992122985.db2.gz LFZDXDPUOJPRCY-LBPRGKRZSA-N -2 3 384.454 1.775 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC000833738176 605272386 /nfs/dbraw/zinc/27/23/86/605272386.db2.gz QPASMRTUHFVGGU-CQSZACIVSA-N -2 3 380.378 1.025 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000823387654 606334977 /nfs/dbraw/zinc/33/49/77/606334977.db2.gz SMEKVORATAESCR-UITAMQMPSA-N -2 3 381.464 1.994 20 10 GDCDHL O=C([O-])CCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000823387654 606334979 /nfs/dbraw/zinc/33/49/79/606334979.db2.gz SMEKVORATAESCR-UITAMQMPSA-N -2 3 381.464 1.994 20 10 GDCDHL Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)ccc1O ZINC000826271482 609156609 /nfs/dbraw/zinc/15/66/09/609156609.db2.gz SXXSCPVUKKRFEP-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)ccc1O ZINC000826271482 609156610 /nfs/dbraw/zinc/15/66/10/609156610.db2.gz SXXSCPVUKKRFEP-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1[O-] ZINC000790404059 655047716 /nfs/dbraw/zinc/04/77/16/655047716.db2.gz DKXSSDAJRDPPCO-UHFFFAOYSA-N -2 3 388.442 1.857 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829691530 603927652 /nfs/dbraw/zinc/92/76/52/603927652.db2.gz KXOQIYZCWFDLJC-CQSZACIVSA-N -2 3 393.421 1.502 20 10 GDCDHL C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000825235175 604298952 /nfs/dbraw/zinc/29/89/52/604298952.db2.gz CPKWMWRZDZYMBT-WDEREUQCSA-N -2 3 385.442 1.272 20 10 GDCDHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1O ZINC000826271139 609156788 /nfs/dbraw/zinc/15/67/88/609156788.db2.gz FFRHASCFYIVICN-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1O ZINC000826271139 609156789 /nfs/dbraw/zinc/15/67/89/609156789.db2.gz FFRHASCFYIVICN-UHFFFAOYSA-N -2 3 376.354 1.590 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1[O-] ZINC000790406936 655048178 /nfs/dbraw/zinc/04/81/78/655048178.db2.gz JNVCSNVJKAPIMM-UHFFFAOYSA-N -2 3 376.843 1.755 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1OC ZINC000795303400 655170445 /nfs/dbraw/zinc/17/04/45/655170445.db2.gz FPRPMKGTEQCWOO-UHFFFAOYSA-N -2 3 385.467 1.961 20 10 GDCDHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000776433701 978748284 /nfs/dbraw/zinc/74/82/84/978748284.db2.gz ZAKJVISDRNBJMX-UHFFFAOYSA-N -2 3 395.389 1.833 20 10 GDCDHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000833239297 601863719 /nfs/dbraw/zinc/86/37/19/601863719.db2.gz FYPAZONAOITULY-UHFFFAOYSA-N -3 3 381.362 1.745 20 10 GDCDHL CC(=O)c1cc(CN2CC[C@H](N(C)C(=O)[O-])C2)c([O-])c(CN2CCOCC2)c1 ZINC000823628469 603916746 /nfs/dbraw/zinc/91/67/46/603916746.db2.gz RHBPNEAQCLVDAS-SFHVURJKSA-N -2 3 391.468 1.611 20 10 GDCDHL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776748863 654707147 /nfs/dbraw/zinc/70/71/47/654707147.db2.gz MLJAHVATNZFIKB-UHFFFAOYSA-N -2 3 376.843 1.755 20 10 GDCDHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1 ZINC000728015902 654882110 /nfs/dbraw/zinc/88/21/10/654882110.db2.gz ZDYXAWYWVFONGJ-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL O=C(NCCN1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000752630442 654932323 /nfs/dbraw/zinc/93/23/23/654932323.db2.gz KERAYQNZTXEECQ-UHFFFAOYSA-N -2 3 381.479 1.690 20 10 GDCDHL O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001611361330 971005260 /nfs/dbraw/zinc/00/52/60/971005260.db2.gz BFDFNAKYHMXQDI-RDJZCZTQSA-N -2 3 385.376 1.817 20 10 GDCDHL C[C@H](CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)[O-] ZINC001592806419 979469626 /nfs/dbraw/zinc/46/96/26/979469626.db2.gz HHBFHZKUHYUNKD-BXUZGUMPSA-N -2 3 390.889 1.650 20 10 GDCDHL Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)n1 ZINC000737613312 598438727 /nfs/dbraw/zinc/43/87/27/598438727.db2.gz NYPKUBFYKUWSPW-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL Cn1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)n1 ZINC000737613312 598438728 /nfs/dbraw/zinc/43/87/28/598438728.db2.gz NYPKUBFYKUWSPW-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL CS(=O)(=O)Cc1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000832681489 601007199 /nfs/dbraw/zinc/00/71/99/601007199.db2.gz AJGSFECARXXUGB-UHFFFAOYSA-N -2 3 389.817 1.060 20 10 GDCDHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000776750343 654707156 /nfs/dbraw/zinc/70/71/56/654707156.db2.gz ATTQWOUSPHNNBK-UHFFFAOYSA-N -2 3 376.843 1.755 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000797431276 978834250 /nfs/dbraw/zinc/83/42/50/978834250.db2.gz KXQNSILVBYIDLU-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001598962533 998359586 /nfs/dbraw/zinc/35/95/86/998359586.db2.gz CNXWWWOOVUCXRC-UHFFFAOYSA-N -2 3 383.353 1.495 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638118 530765565 /nfs/dbraw/zinc/76/55/65/530765565.db2.gz GQOVUYSSVYCRFP-UHFFFAOYSA-N -2 3 383.455 1.283 20 10 GDCDHL COc1ccc(N2CCC([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000738023802 599778650 /nfs/dbraw/zinc/77/86/50/599778650.db2.gz UZUWNPQXHBBYIM-UHFFFAOYSA-N -2 3 380.422 1.934 20 10 GDCDHL NC(=O)c1ccccc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739183470 600145228 /nfs/dbraw/zinc/14/52/28/600145228.db2.gz ZIQNWRLPJRXRHP-UHFFFAOYSA-N -2 3 391.811 1.670 20 10 GDCDHL CC(C)[C@@H](CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])NC(=O)[O-] ZINC000824091511 603607730 /nfs/dbraw/zinc/60/77/30/603607730.db2.gz GCAFDFQPZUWYGI-CYBMUJFWSA-N -2 3 387.458 1.518 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cnn(C)c2C)cc1OC ZINC000793368427 655118033 /nfs/dbraw/zinc/11/80/33/655118033.db2.gz YLFJYMGLVUFVLU-UHFFFAOYSA-N -2 3 388.471 1.300 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000739999656 602653716 /nfs/dbraw/zinc/65/37/16/602653716.db2.gz FZAUINHPCDLPFN-LLVKDONJSA-N -2 3 385.442 1.274 20 10 GDCDHL CC(=O)c1cc(CN2CC[C@@H](N(C)C(=O)[O-])C2)c([O-])c(CN2CCOCC2)c1 ZINC000823628468 603916650 /nfs/dbraw/zinc/91/66/50/603916650.db2.gz RHBPNEAQCLVDAS-GOSISDBHSA-N -2 3 391.468 1.611 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000833737218 604720499 /nfs/dbraw/zinc/72/04/99/604720499.db2.gz FMUUMXRCWYORKL-MRXNPFEDSA-N -2 3 390.417 1.588 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1O ZINC000823387534 606866709 /nfs/dbraw/zinc/86/67/09/606866709.db2.gz ODANXDNQLVUXEK-UHFFFAOYSA-N -3 3 397.319 1.350 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1O ZINC000823387534 606866711 /nfs/dbraw/zinc/86/67/11/606866711.db2.gz ODANXDNQLVUXEK-UHFFFAOYSA-N -3 3 397.319 1.350 20 10 GDCDHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000821589394 607002820 /nfs/dbraw/zinc/00/28/20/607002820.db2.gz LVPHIXQRHNRFTG-UHFFFAOYSA-N -2 3 386.397 1.270 20 10 GDCDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1-c1nnn[n-]1 ZINC000826500116 609156724 /nfs/dbraw/zinc/15/67/24/609156724.db2.gz LVGJYVSIQOJYJD-UHFFFAOYSA-N -3 3 396.772 1.935 20 10 GDCDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1-c1nn[n-]n1 ZINC000826500116 609156725 /nfs/dbraw/zinc/15/67/25/609156725.db2.gz LVGJYVSIQOJYJD-UHFFFAOYSA-N -3 3 396.772 1.935 20 10 GDCDHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000775286291 654663847 /nfs/dbraw/zinc/66/38/47/654663847.db2.gz MKEGNWDMKIJAET-UHFFFAOYSA-N -2 3 390.370 1.644 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594171380 959003514 /nfs/dbraw/zinc/00/35/14/959003514.db2.gz NAADUEPHCUDMPZ-AWEZNQCLSA-N -2 3 382.369 1.459 20 10 GDCDHL C[C@@H](CN(C)C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000286895329 532184433 /nfs/dbraw/zinc/18/44/33/532184433.db2.gz GNSIQZRLIJBFEX-NSHDSACASA-N -2 3 383.495 1.934 20 10 GDCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826304135 607537282 /nfs/dbraw/zinc/53/72/82/607537282.db2.gz XWFYQBWYSXFVPJ-UHFFFAOYSA-N -3 3 375.366 1.380 20 10 GDCDHL CC(=O)c1cc(CN(C)[C@H]2CCN(C(=O)[O-])C2)c([O-])c(CN2CCOCC2)c1 ZINC000823628253 603594473 /nfs/dbraw/zinc/59/44/73/603594473.db2.gz NYYWGNOKIUGJNR-SFHVURJKSA-N -2 3 391.468 1.611 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1O ZINC000823387683 606866421 /nfs/dbraw/zinc/86/64/21/606866421.db2.gz UKCPLGBDVAFKOC-UHFFFAOYSA-N -3 3 379.329 1.210 20 10 GDCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1O ZINC000823387683 606866422 /nfs/dbraw/zinc/86/64/22/606866422.db2.gz UKCPLGBDVAFKOC-UHFFFAOYSA-N -3 3 379.329 1.210 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1[O-] ZINC000829927356 654919140 /nfs/dbraw/zinc/91/91/40/654919140.db2.gz QNQUXKFDOWPQED-UHFFFAOYSA-N -2 3 382.463 1.979 20 10 GDCDHL CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1C ZINC000808105182 655098226 /nfs/dbraw/zinc/09/82/26/655098226.db2.gz YWWYZAWGIRFHEI-UHFFFAOYSA-N -2 3 386.813 1.931 20 10 GDCDHL C[C@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N(C)C ZINC000267492073 531429248 /nfs/dbraw/zinc/42/92/48/531429248.db2.gz GGVJYLZRESSOOC-LLVKDONJSA-N -2 3 383.495 1.934 20 10 GDCDHL CCN(C)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000267495726 531429311 /nfs/dbraw/zinc/42/93/11/531429311.db2.gz HGOYMIPVLZDTAN-UHFFFAOYSA-N -2 3 383.495 1.936 20 10 GDCDHL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000833411975 604719904 /nfs/dbraw/zinc/71/99/04/604719904.db2.gz ROVYQVYSAWJFFE-BZNIZROVSA-N -2 3 392.433 1.956 20 10 GDCDHL C[C@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589115083 956089619 /nfs/dbraw/zinc/08/96/19/956089619.db2.gz MBVPMHQOIMUHCU-QGZVFWFLSA-N -2 3 378.406 1.494 20 10 GDCDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])ccc1OC ZINC000776433060 978748079 /nfs/dbraw/zinc/74/80/79/978748079.db2.gz LGHHULUDHKIGFX-UHFFFAOYSA-N -2 3 381.362 1.686 20 10 GDCDHL C[C@H](CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)[O-] ZINC001592806423 979469472 /nfs/dbraw/zinc/46/94/72/979469472.db2.gz HHBFHZKUHYUNKD-RISCZKNCSA-N -2 3 390.889 1.650 20 10 GDCDHL COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)C[C@H]3CC(=O)[O-])c2c1 ZINC001599636391 994294173 /nfs/dbraw/zinc/29/41/73/994294173.db2.gz OQAZOXLJKYCIFM-CYBMUJFWSA-N -2 3 379.434 1.628 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829691529 603927550 /nfs/dbraw/zinc/92/75/50/603927550.db2.gz KXOQIYZCWFDLJC-AWEZNQCLSA-N -2 3 393.421 1.502 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000833738232 604707512 /nfs/dbraw/zinc/70/75/12/604707512.db2.gz UUNNYPYVAORXFA-OAHLLOKOSA-N -2 3 390.417 1.415 20 10 GDCDHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000833411977 604719879 /nfs/dbraw/zinc/71/98/79/604719879.db2.gz ROVYQVYSAWJFFE-ZBEGNZNMSA-N -2 3 392.433 1.956 20 10 GDCDHL Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176195 606297377 /nfs/dbraw/zinc/29/73/77/606297377.db2.gz HFADWKQURGCNMB-UHFFFAOYSA-N -2 3 379.384 1.028 20 10 GDCDHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000821309221 607002809 /nfs/dbraw/zinc/00/28/09/607002809.db2.gz KPQMVDBZDNJDQJ-UHFFFAOYSA-N -2 3 386.397 1.636 20 10 GDCDHL CCN(Cc1cc(Br)ccc1[O-])C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000185847750 530847221 /nfs/dbraw/zinc/84/72/21/530847221.db2.gz KQFHGJAKVWSSIO-UHFFFAOYSA-N -2 3 387.259 1.707 20 10 GDCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2c(C)cnn2C)cc1OC ZINC000285073689 532028287 /nfs/dbraw/zinc/02/82/87/532028287.db2.gz KGVWDCJAOYMXKU-UHFFFAOYSA-N -2 3 388.471 1.300 20 10 GDCDHL Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)n2)cn1 ZINC000822605066 599234015 /nfs/dbraw/zinc/23/40/15/599234015.db2.gz WZEOTRPCNHOROV-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)n2)cn1 ZINC000822605066 599234017 /nfs/dbraw/zinc/23/40/17/599234017.db2.gz WZEOTRPCNHOROV-UHFFFAOYSA-N -2 3 388.438 1.525 20 10 GDCDHL Cc1nc(C)c(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000830716822 603035586 /nfs/dbraw/zinc/03/55/86/603035586.db2.gz YLFMSWPVDWUGAR-MRXNPFEDSA-N -2 3 387.440 1.533 20 10 GDCDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000826497693 609156561 /nfs/dbraw/zinc/15/65/61/609156561.db2.gz QIFVASUPASKIBN-UHFFFAOYSA-N -3 3 396.772 1.935 20 10 GDCDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000826497693 609156562 /nfs/dbraw/zinc/15/65/62/609156562.db2.gz QIFVASUPASKIBN-UHFFFAOYSA-N -3 3 396.772 1.935 20 10 GDCDHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001611361327 971005039 /nfs/dbraw/zinc/00/50/39/971005039.db2.gz BFDFNAKYHMXQDI-DOTOQJQBSA-N -2 3 385.376 1.817 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000326685038 971317336 /nfs/dbraw/zinc/31/73/36/971317336.db2.gz OTMQEVXZYQEUIM-UHFFFAOYSA-N -2 3 386.407 1.263 20 10 GDCDHL CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000797431414 978834030 /nfs/dbraw/zinc/83/40/30/978834030.db2.gz OCFJWFXWVOZSCB-UHFFFAOYSA-N -2 3 399.450 1.370 20 10 GDCDHL COC(=O)CN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1cc(Cl)ccc1[O-] ZINC000737604342 600144177 /nfs/dbraw/zinc/14/41/77/600144177.db2.gz JQCYNKPJVBGAGP-UHFFFAOYSA-N -2 3 398.843 1.344 20 10 GDCDHL CN(CC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1)C(=O)[O-] ZINC000739656155 602407707 /nfs/dbraw/zinc/40/77/07/602407707.db2.gz DEHTYXVCYCNXAG-UHFFFAOYSA-N -2 3 385.442 1.226 20 10 GDCDHL O=C(NCc1cn[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000751071511 654871333 /nfs/dbraw/zinc/87/13/33/654871333.db2.gz VHMYSTVEYOHERS-UHFFFAOYSA-N -2 3 379.423 1.303 20 10 GDCDHL CN(C)c1ccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N(C)C)cc1 ZINC001598314118 991293122 /nfs/dbraw/zinc/29/31/22/991293122.db2.gz BKCSOVMDXJQSHS-HNNXBMFYSA-N -2 3 381.454 1.625 20 10 GDCDHL COc1ccc(O)c(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826210493 607637569 /nfs/dbraw/zinc/63/75/69/607637569.db2.gz UELRHNODRYVBPQ-UHFFFAOYSA-N -2 3 397.363 1.338 20 10 GDCDHL CC(C)[C@H](CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])NC(=O)[O-] ZINC000824091512 603608006 /nfs/dbraw/zinc/60/80/06/603608006.db2.gz GCAFDFQPZUWYGI-ZDUSSCGKSA-N -2 3 387.458 1.518 20 10 GDCDHL C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000825235174 604299130 /nfs/dbraw/zinc/29/91/30/604299130.db2.gz CPKWMWRZDZYMBT-QWRGUYRKSA-N -2 3 385.442 1.272 20 10 GDCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2COC)ccc1[O-] ZINC000790408455 655048401 /nfs/dbraw/zinc/04/84/01/655048401.db2.gz ZYVROOZIWZPGRS-UHFFFAOYSA-N -2 3 386.451 1.248 20 10 GDCDHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753020465 654940811 /nfs/dbraw/zinc/94/08/11/654940811.db2.gz RWWSLIKCBRTYEI-UHFFFAOYSA-N -3 3 378.378 1.843 20 10 GDCDHL O=C([O-])c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)[n-]n1 ZINC001594732650 957052510 /nfs/dbraw/zinc/05/25/10/957052510.db2.gz UHOAOHRFTZNXMI-GFCCVEGCSA-N -2 3 378.816 1.861 20 10 GDCDHL O=C([O-])c1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)[n-]n1 ZINC001594732650 957052517 /nfs/dbraw/zinc/05/25/17/957052517.db2.gz UHOAOHRFTZNXMI-GFCCVEGCSA-N -2 3 378.816 1.861 20 10 GDCDHL Cc1cccc([C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(=O)[O-])c1 ZINC001594392737 958745135 /nfs/dbraw/zinc/74/51/35/958745135.db2.gz ITPGLXSVGPMHLD-OAHLLOKOSA-N -2 3 378.406 1.628 20 10 GDCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000023398080 600808323 /nfs/dbraw/zinc/80/83/23/600808323.db2.gz FGHJSHYMKFRMLF-UHFFFAOYSA-N -2 3 384.435 1.866 20 10 GDCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000739999542 602030670 /nfs/dbraw/zinc/03/06/70/602030670.db2.gz CVMVVZAKEFCCSV-UHFFFAOYSA-N -2 3 385.442 1.464 20 10 GDCDHL CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000328065067 645270791 /nfs/dbraw/zinc/27/07/91/645270791.db2.gz PWKXHBXPXORDPN-UHFFFAOYSA-N -2 3 388.398 1.696 20 10 GDCDHL