smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000792919 559279495 /nfs/dbraw/zinc/27/94/95/559279495.db2.gz VFDHDLWJAYZFPS-AWEZNQCLSA-N -1 1 413.153 5.038 40 0 HKABMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000792920 559279537 /nfs/dbraw/zinc/27/95/37/559279537.db2.gz VFDHDLWJAYZFPS-CQSZACIVSA-N -1 1 413.153 5.038 40 0 HKABMM CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000000850725 559289010 /nfs/dbraw/zinc/28/90/10/559289010.db2.gz CCUNMQIPDIGFLY-OAHLLOKOSA-N -1 1 407.948 5.206 40 0 HKABMM CC1(C)SC(=S)N(c2ccccc2)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000000850726 559289082 /nfs/dbraw/zinc/28/90/82/559289082.db2.gz CCUNMQIPDIGFLY-HNNXBMFYSA-N -1 1 407.948 5.206 40 0 HKABMM COc1ccc(Cl)cc1C(=O)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000000861605 559290629 /nfs/dbraw/zinc/29/06/29/559290629.db2.gz LCNBTVNDKBIFQV-UHFFFAOYSA-N -1 1 408.841 5.423 40 0 HKABMM Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)cc1 ZINC000001053125 560555445 /nfs/dbraw/zinc/55/54/45/560555445.db2.gz FMPDCPORENTRKZ-UHFFFAOYSA-N -1 1 402.450 5.143 40 0 HKABMM Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c([O-])c2)cc1 ZINC000001053127 560555478 /nfs/dbraw/zinc/55/54/78/560555478.db2.gz XPSPLRMKPKUDTF-UHFFFAOYSA-N -1 1 402.450 5.143 40 0 HKABMM Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3[O-])nc2c1 ZINC000001053128 560555430 /nfs/dbraw/zinc/55/54/30/560555430.db2.gz DQTRGIJRLLTAIP-UHFFFAOYSA-N -1 1 402.450 5.143 40 0 HKABMM Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c(C)c1 ZINC000001053129 560555487 /nfs/dbraw/zinc/55/54/87/560555487.db2.gz PAQMKMPFISEKKQ-UHFFFAOYSA-N -1 1 416.477 5.452 40 0 HKABMM Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000001053136 560555474 /nfs/dbraw/zinc/55/54/74/560555474.db2.gz DLMQKHMCAWMPLS-UHFFFAOYSA-N -1 1 402.450 5.143 40 0 HKABMM Cc1c(Br)cc(C(=O)CSc2ccccc2)c([O-])c1Br ZINC000001102004 557179391 /nfs/dbraw/zinc/17/93/91/557179391.db2.gz MIAJCYCCYMIXIA-UHFFFAOYSA-N -1 1 416.134 5.201 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001253184 560728011 /nfs/dbraw/zinc/72/80/11/560728011.db2.gz NGAQDIKESFQBGS-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM CCCCSc1cc(Cc2cc(C)ccc2O)c([O-])c(Cc2cc(C)ccc2O)c1 ZINC000001558197 557272198 /nfs/dbraw/zinc/27/21/98/557272198.db2.gz LKCFQIOQAIRPCA-UHFFFAOYSA-N -1 1 422.590 6.494 40 0 HKABMM Cc1c(Cl)cc(C(C)(C)C)c([O-])c1Cc1c(C)c(Cl)cc(C(C)(C)C)c1O ZINC000001687248 557280706 /nfs/dbraw/zinc/28/07/06/557280706.db2.gz ZQGZKEMTFYZITH-UHFFFAOYSA-N -1 1 409.397 7.207 40 0 in-vitro HKABMM CCCC[C@H](c1nc2c(c3c1CCCC3)CCCC2)C([O-])(C(F)(F)F)C(F)(F)F ZINC000001697507 557281372 /nfs/dbraw/zinc/28/13/72/557281372.db2.gz PKDWBENDGQEAMH-MRXNPFEDSA-N -1 1 423.441 5.969 40 0 HKABMM O=S(=O)([N-]c1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1 ZINC000001707713 557282239 /nfs/dbraw/zinc/28/22/39/557282239.db2.gz QNVLZVXBVUCVBX-UHFFFAOYSA-N -1 1 411.526 6.076 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2-c2ccccc2)cc1 ZINC000001713694 557282489 /nfs/dbraw/zinc/28/24/89/557282489.db2.gz PXGGDSFDEAHMNO-UHFFFAOYSA-N -1 1 402.313 5.225 40 0 HKABMM CCOc1ccc(NC(=O)c2cccc(OC(=S)[N-]CCCC(C)C)c2)cc1 ZINC000003081556 568854334 /nfs/dbraw/zinc/85/43/34/568854334.db2.gz CGJTXPWWJWPMKK-UHFFFAOYSA-N -1 1 400.544 5.027 40 0 HKABMM CCCCCCc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc2cc1[O-] ZINC000004422518 560606851 /nfs/dbraw/zinc/60/68/51/560606851.db2.gz GPJHCFGCFHESSG-UHFFFAOYSA-N -1 1 408.429 5.478 40 0 HKABMM CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000004450222 557555473 /nfs/dbraw/zinc/55/54/73/557555473.db2.gz LUSBTZJQUNWUBW-UHFFFAOYSA-N -1 1 413.505 6.101 40 0 HKABMM Cc1cc(C(c2ccccc2)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004522179 557563308 /nfs/dbraw/zinc/56/33/08/557563308.db2.gz OEEIJGBOHAMUKT-UHFFFAOYSA-N -1 1 413.542 5.976 40 0 HKABMM Cc1cc(C)cc(OCCSc2nc(Cc3cccc4ccccc43)cc(=O)[n-]2)c1 ZINC000004625663 568934352 /nfs/dbraw/zinc/93/43/52/568934352.db2.gz MNEGRANSULPLLA-UHFFFAOYSA-N -1 1 416.546 5.714 40 0 HKABMM Cc1cc(C)cc(OCCSc2nc(COc3ccc(Cl)cc3)cc(=O)[n-]2)c1 ZINC000004625667 557574051 /nfs/dbraw/zinc/57/40/51/557574051.db2.gz AYJNVEDHABLRPP-UHFFFAOYSA-N -1 1 416.930 5.203 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000004836009 560609223 /nfs/dbraw/zinc/60/92/23/560609223.db2.gz ITFDQXPTNQCFIK-UHFFFAOYSA-N -1 1 415.986 5.917 40 0 HKABMM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1 ZINC000004836010 560609282 /nfs/dbraw/zinc/60/92/82/560609282.db2.gz VXGPNJSFHLLPNQ-UHFFFAOYSA-N -1 1 401.959 5.609 40 0 HKABMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004836012 560609273 /nfs/dbraw/zinc/60/92/73/560609273.db2.gz OUHBXOHAICMJBD-UHFFFAOYSA-N -1 1 409.551 5.158 40 0 HKABMM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1 ZINC000004893837 560615480 /nfs/dbraw/zinc/61/54/80/560615480.db2.gz LZBCIZNALPWRBX-UHFFFAOYSA-N -1 1 418.449 5.087 40 0 HKABMM CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)c(O)cc1O ZINC000005158610 557638269 /nfs/dbraw/zinc/63/82/69/557638269.db2.gz GJFHZVPRFLHEBR-KETROQBRSA-N -1 1 424.493 5.451 40 0 endogenous,in-man HKABMM CC(C)=CCc1c2c(c(=O)c3c([O-])c(-c4ccc(O)cc4O)coc1-3)C=CC(C)(C)O2 ZINC000005158973 291286360 /nfs/dbraw/zinc/28/63/60/291286360.db2.gz IEKQCBVQJGWJRO-UHFFFAOYSA-N -1 1 420.461 5.270 40 0 biogenic,in-vitro HKABMM CC(C)=CCc1c2c(c([O-])c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2 ZINC000005158973 291286364 /nfs/dbraw/zinc/28/63/64/291286364.db2.gz IEKQCBVQJGWJRO-UHFFFAOYSA-N -1 1 420.461 5.270 40 0 biogenic,in-vitro HKABMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc(Br)cc1 ZINC000005172325 569071812 /nfs/dbraw/zinc/07/18/12/569071812.db2.gz HCZPJLNQPVYESQ-UHFFFAOYSA-N -1 1 409.239 5.215 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000005184727 557639150 /nfs/dbraw/zinc/63/91/50/557639150.db2.gz ZNZUQGCMRXVDLJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000005184734 557639132 /nfs/dbraw/zinc/63/91/32/557639132.db2.gz BXXWPYTUKSCCGV-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000005204140 557639931 /nfs/dbraw/zinc/63/99/31/557639931.db2.gz ZZKFNUZINQRUDN-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000005204143 557639914 /nfs/dbraw/zinc/63/99/14/557639914.db2.gz RGZVZLOTMSRZNZ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3c2C1 ZINC000005214442 560542835 /nfs/dbraw/zinc/54/28/35/560542835.db2.gz DBCGSBHBUMFFJI-CQSZACIVSA-N -1 1 401.503 5.524 40 0 HKABMM CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3c2C1 ZINC000005214443 560542803 /nfs/dbraw/zinc/54/28/03/560542803.db2.gz DBCGSBHBUMFFJI-AWEZNQCLSA-N -1 1 401.503 5.524 40 0 HKABMM CCCC[C@@H](c1nc2c(c3c1CCCC3)CCCC2)C([O-])(C(F)(F)F)C(F)(F)F ZINC000005499243 557658224 /nfs/dbraw/zinc/65/82/24/557658224.db2.gz PKDWBENDGQEAMH-INIZCTEOSA-N -1 1 423.441 5.969 40 0 HKABMM Cc1ccc(C(=O)Oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000005516288 560604313 /nfs/dbraw/zinc/60/43/13/560604313.db2.gz KBXIOWJJPRCLSU-UHFFFAOYSA-N -1 1 417.486 5.168 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000006023989 569329322 /nfs/dbraw/zinc/32/93/22/569329322.db2.gz MURFRLZJXRSCKS-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000006024022 560739419 /nfs/dbraw/zinc/73/94/19/560739419.db2.gz GVKLDCDOGHPZOG-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000006024028 569329334 /nfs/dbraw/zinc/32/93/34/569329334.db2.gz BXZSHGNVIFQDGP-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006024044 560739378 /nfs/dbraw/zinc/73/93/78/560739378.db2.gz KVFLGXYJRDNGTH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006024058 560739435 /nfs/dbraw/zinc/73/94/35/560739435.db2.gz LJWSXYOYVYTSDA-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006225749 560740424 /nfs/dbraw/zinc/74/04/24/560740424.db2.gz XHLCAVGSKFQHKA-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000006235001 569330164 /nfs/dbraw/zinc/33/01/64/569330164.db2.gz MCAHEAJFSSBKTQ-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000006235008 569330133 /nfs/dbraw/zinc/33/01/33/569330133.db2.gz AWVQMFKYNDSTKY-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006235020 560740610 /nfs/dbraw/zinc/74/06/10/560740610.db2.gz SYHLNQIVIUQHSN-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1C ZINC000006235039 569330217 /nfs/dbraw/zinc/33/02/17/569330217.db2.gz RDMVZHTVBUEFKS-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000006270384 557697265 /nfs/dbraw/zinc/69/72/65/557697265.db2.gz DKZHYAMEOKGXSR-UHFFFAOYSA-N -1 1 403.731 5.178 40 0 HKABMM CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000006352287 560741183 /nfs/dbraw/zinc/74/11/83/560741183.db2.gz FOUGBMYJOPNLRL-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c(C)c1 ZINC000006352375 569331223 /nfs/dbraw/zinc/33/12/23/569331223.db2.gz CNZQMPYJFASQMH-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 ZINC000006352429 560741186 /nfs/dbraw/zinc/74/11/86/560741186.db2.gz BBQLMXPGCJRNMH-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000006352436 569331342 /nfs/dbraw/zinc/33/13/42/569331342.db2.gz PJGLOTSJPPFBFW-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM O=S(=O)([N-]c1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(Cl)cc1 ZINC000006362281 569331685 /nfs/dbraw/zinc/33/16/85/569331685.db2.gz UTGDRWYKQNOECK-UHFFFAOYSA-N -1 1 401.959 5.681 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c(C)c1 ZINC000006368701 569331741 /nfs/dbraw/zinc/33/17/41/569331741.db2.gz JOROIVDNBLMJRV-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1C ZINC000006368758 569331748 /nfs/dbraw/zinc/33/17/48/569331748.db2.gz FJHFMDSVVBHIKH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1n[nH]c(SC(=Cc2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n1 ZINC000006456543 560742418 /nfs/dbraw/zinc/74/24/18/560742418.db2.gz HAGLUBSFIGBBGV-WQRHYEAKSA-N -1 1 404.495 5.096 40 0 HKABMM Cc1nc(SC(=Cc2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000006456543 560742419 /nfs/dbraw/zinc/74/24/19/560742419.db2.gz HAGLUBSFIGBBGV-WQRHYEAKSA-N -1 1 404.495 5.096 40 0 HKABMM CCCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000006500676 560631111 /nfs/dbraw/zinc/63/11/11/560631111.db2.gz SDKJDOLKUITGKB-UHFFFAOYSA-N -1 1 422.868 5.895 40 0 HKABMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000006553229 569333407 /nfs/dbraw/zinc/33/34/07/569333407.db2.gz MIVPMOMYWPJMNV-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 ZINC000006553293 560744068 /nfs/dbraw/zinc/74/40/68/560744068.db2.gz XJDUWZSMTZLWQO-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000006553294 569333337 /nfs/dbraw/zinc/33/33/37/569333337.db2.gz YQLFMDPRBOMLLG-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006553308 569333365 /nfs/dbraw/zinc/33/33/65/569333365.db2.gz POCFVDNZXPQRIF-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000006553313 560744073 /nfs/dbraw/zinc/74/40/73/560744073.db2.gz DHLDFSBYHLSJAD-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM Cc1n[nH]c(SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)[O-])n1 ZINC000006588214 569333578 /nfs/dbraw/zinc/33/35/78/569333578.db2.gz XQFWAADGEBTFEI-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nc(SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)[O-])n[nH]1 ZINC000006588214 569333580 /nfs/dbraw/zinc/33/35/80/569333580.db2.gz XQFWAADGEBTFEI-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nnc(SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)[O-])[nH]1 ZINC000006588267 569333547 /nfs/dbraw/zinc/33/35/47/569333547.db2.gz SZQXDJHHUYLRJN-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nc(SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)[O-])n[nH]1 ZINC000006588267 569333549 /nfs/dbraw/zinc/33/35/49/569333549.db2.gz SZQXDJHHUYLRJN-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nnc(SC(=Cc2cccc(OCc3cccc4ccccc43)c2)C(=O)[O-])[nH]1 ZINC000006588329 569333623 /nfs/dbraw/zinc/33/36/23/569333623.db2.gz JBOKDNHAAKFKJT-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nc(SC(=Cc2cccc(OCc3cccc4ccccc43)c2)C(=O)[O-])n[nH]1 ZINC000006588329 569333624 /nfs/dbraw/zinc/33/36/24/569333624.db2.gz JBOKDNHAAKFKJT-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nnc(SC(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)[O-])[nH]1 ZINC000006588343 569333627 /nfs/dbraw/zinc/33/36/27/569333627.db2.gz WVPHXDBAVQKYPE-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1nc(SC(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)[O-])n[nH]1 ZINC000006588343 569333628 /nfs/dbraw/zinc/33/36/28/569333628.db2.gz WVPHXDBAVQKYPE-BKUYFWCQSA-N -1 1 417.490 5.063 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1C ZINC000006707045 569334512 /nfs/dbraw/zinc/33/45/12/569334512.db2.gz YRQDDECQSBJHQX-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000006707063 569334485 /nfs/dbraw/zinc/33/44/85/569334485.db2.gz VGCPNULDARNIAP-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 ZINC000006707075 569334538 /nfs/dbraw/zinc/33/45/38/569334538.db2.gz CHTFMXCXOAGPNO-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)c(C)c1 ZINC000006858579 569334876 /nfs/dbraw/zinc/33/48/76/569334876.db2.gz DBCOLSDZBKYEKX-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(-c2cnc3ccccc3n2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000007360480 568937750 /nfs/dbraw/zinc/93/77/50/568937750.db2.gz UILNBGVGMUFQBI-UHFFFAOYSA-N -1 1 409.898 5.059 40 0 HKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(C(C)C)c3)ccc21 ZINC000007360592 569337214 /nfs/dbraw/zinc/33/72/14/569337214.db2.gz YIARFPHURUCUQQ-UHFFFAOYSA-N -1 1 422.550 5.747 40 0 HKABMM COc1cc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)ccc1F ZINC000007360693 569337273 /nfs/dbraw/zinc/33/72/73/569337273.db2.gz RGPIDOPNXFHQRW-UHFFFAOYSA-N -1 1 417.527 5.236 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(C)C ZINC000007360953 569337324 /nfs/dbraw/zinc/33/73/24/569337324.db2.gz ATDXBPPSPXYBHK-UHFFFAOYSA-N -1 1 413.564 5.771 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000007601295 560751710 /nfs/dbraw/zinc/75/17/10/560751710.db2.gz UREXPPMDXOYRGZ-UHFFFAOYSA-N -1 1 404.539 5.369 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007601338 560751658 /nfs/dbraw/zinc/75/16/58/560751658.db2.gz TZEQJHNJLLFOGU-UHFFFAOYSA-N -1 1 406.914 5.008 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000007601339 560751718 /nfs/dbraw/zinc/75/17/18/560751718.db2.gz LVLULSAOBNJZGO-UHFFFAOYSA-N -1 1 406.914 5.008 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000007601343 560751741 /nfs/dbraw/zinc/75/17/41/560751741.db2.gz YSCVBAGCCZYJPF-UHFFFAOYSA-N -1 1 422.529 5.508 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000007601345 560751654 /nfs/dbraw/zinc/75/16/54/560751654.db2.gz HUTFFHAMVDBTSC-UHFFFAOYSA-N -1 1 422.529 5.508 40 0 HKABMM Fc1ccc(COc2ccccc2CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000007601475 560751651 /nfs/dbraw/zinc/75/16/51/560751651.db2.gz QFUGLOJPRPGKTC-UHFFFAOYSA-N -1 1 406.486 5.069 40 0 HKABMM Fc1ccccc1COc1ccccc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000007601477 560751749 /nfs/dbraw/zinc/75/17/49/560751749.db2.gz XYCLZAMCJPELFC-UHFFFAOYSA-N -1 1 406.486 5.069 40 0 HKABMM Fc1ccc(COc2cccc(CNn3c(=S)[n-]nc3-c3ccccc3)c2)cc1 ZINC000007601489 560751697 /nfs/dbraw/zinc/75/16/97/560751697.db2.gz YSDGKSNRFNBFMQ-UHFFFAOYSA-N -1 1 406.486 5.069 40 0 HKABMM Fc1ccccc1COc1cccc(CNn2c(=S)[n-]nc2-c2ccccc2)c1 ZINC000007601490 560751822 /nfs/dbraw/zinc/75/18/22/560751822.db2.gz WAIKZWUWDFXJHS-UHFFFAOYSA-N -1 1 406.486 5.069 40 0 HKABMM Fc1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3)o2)cc1Cl ZINC000007602317 560751818 /nfs/dbraw/zinc/75/18/18/560751818.db2.gz SNVJWDQXEHNURZ-UHFFFAOYSA-N -1 1 400.866 5.404 40 0 HKABMM Cc1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007602681 560751848 /nfs/dbraw/zinc/75/18/48/560751848.db2.gz SWZXUDAHLLUYBD-UHFFFAOYSA-N -1 1 410.930 5.378 40 0 HKABMM Cc1n[n-]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007602682 560751820 /nfs/dbraw/zinc/75/18/20/560751820.db2.gz XNLZVHQJKQGWAV-UHFFFAOYSA-N -1 1 410.930 5.378 40 0 HKABMM CSc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000007603256 569337775 /nfs/dbraw/zinc/33/77/75/569337775.db2.gz UYJUKXQYJHBPQM-GDNBJRDFSA-N -1 1 403.916 5.065 40 0 HKABMM Cc1[nH]c2ccccc2c1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000007603283 569337748 /nfs/dbraw/zinc/33/77/48/569337748.db2.gz CXTGUQUMWSTHLL-YVLHZVERSA-N -1 1 410.886 5.133 40 0 HKABMM O=C([O-])C(=Cc1cccc2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000007603295 569337750 /nfs/dbraw/zinc/33/77/50/569337750.db2.gz PWLGPEUJVUPOSS-PDGQHHTCSA-N -1 1 407.882 5.496 40 0 HKABMM CC(C)Oc1ccccc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000007603317 569337803 /nfs/dbraw/zinc/33/78/03/569337803.db2.gz XQVKHAGOZKEZPP-BOPFTXTBSA-N -1 1 415.902 5.130 40 0 HKABMM CC(C)Oc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000007603324 569337817 /nfs/dbraw/zinc/33/78/17/569337817.db2.gz YYSRQKSWHXPMPH-BOPFTXTBSA-N -1 1 415.902 5.130 40 0 HKABMM CCCOc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000007603332 569337836 /nfs/dbraw/zinc/33/78/36/569337836.db2.gz MJZJISKGICDNAW-SFQUDFHCSA-N -1 1 415.902 5.132 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000008033538 560753221 /nfs/dbraw/zinc/75/32/21/560753221.db2.gz XDBUNHXONSSVJG-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000008033541 557770803 /nfs/dbraw/zinc/77/08/03/557770803.db2.gz XMXABRHHBUAIHH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)c1 ZINC000008033542 557770716 /nfs/dbraw/zinc/77/07/16/557770716.db2.gz ACGFFGGUHMPYDP-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 ZINC000008288103 560753561 /nfs/dbraw/zinc/75/35/61/560753561.db2.gz GEPWCJMQPOLMBC-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000008289330 560753530 /nfs/dbraw/zinc/75/35/30/560753530.db2.gz SLIPWFNJTBKKES-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000008289454 557780053 /nfs/dbraw/zinc/78/00/53/557780053.db2.gz JQSXAPZTRLPXQD-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c1 ZINC000008289464 557780264 /nfs/dbraw/zinc/78/02/64/557780264.db2.gz AXVHXVFENYHPKM-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008338983 560754198 /nfs/dbraw/zinc/75/41/98/560754198.db2.gz MAEZVJFSJCSUAJ-UHFFFAOYSA-N -1 1 408.502 5.118 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008338988 560754203 /nfs/dbraw/zinc/75/42/03/560754203.db2.gz YQCJSMXZRCJENY-UHFFFAOYSA-N -1 1 408.502 5.118 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008339089 560754329 /nfs/dbraw/zinc/75/43/29/560754329.db2.gz IDNKBCHUHZVGCP-UHFFFAOYSA-N -1 1 409.342 5.133 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008339098 560754347 /nfs/dbraw/zinc/75/43/47/560754347.db2.gz HNIZOXPSKMCVFU-UHFFFAOYSA-N -1 1 409.342 5.133 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008339216 560754338 /nfs/dbraw/zinc/75/43/38/560754338.db2.gz CTTLMNYGGYBVGU-UHFFFAOYSA-N -1 1 409.342 5.133 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008339348 560754323 /nfs/dbraw/zinc/75/43/23/560754323.db2.gz GOXATWINILDSKC-UHFFFAOYSA-N -1 1 409.342 5.133 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008339427 560754308 /nfs/dbraw/zinc/75/43/08/560754308.db2.gz KHEZWMOJPCKDFW-UHFFFAOYSA-N -1 1 409.342 5.133 40 0 HKABMM COc1ccc(-c2ccc(CNn3c(=S)[n-]nc3-c3ccccc3)o2)cc1Cl ZINC000008493146 560754956 /nfs/dbraw/zinc/75/49/56/560754956.db2.gz VRTMYWMTRDXGFL-UHFFFAOYSA-N -1 1 412.902 5.273 40 0 HKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008496604 560754905 /nfs/dbraw/zinc/75/49/05/560754905.db2.gz FYLGYYQVHTVLHR-UHFFFAOYSA-N -1 1 412.902 5.273 40 0 HKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000008496610 560754942 /nfs/dbraw/zinc/75/49/42/560754942.db2.gz YEYVOJUSGUDCJP-UHFFFAOYSA-N -1 1 412.902 5.273 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(C)C ZINC000008500015 569341726 /nfs/dbraw/zinc/34/17/26/569341726.db2.gz VKHAEVVBEOSSMQ-UHFFFAOYSA-N -1 1 407.841 5.292 40 0 HKABMM CCCCCC[C@@H](O)C/C=C\CCCCCCc1c(=O)[n-]c(=S)[nH]c1C(=O)OC ZINC000008655452 557798893 /nfs/dbraw/zinc/79/88/93/557798893.db2.gz VMPUSPLQIAFVDX-QJWNTBNXSA-N -1 1 424.607 5.028 40 0 HKABMM [O-]c1cc(OCc2ccc(Cl)cc2)ccc1-c1ncncc1-c1ccc(Cl)cc1 ZINC000008781005 569390387 /nfs/dbraw/zinc/39/03/87/569390387.db2.gz MRRCBUVAQXLDLN-UHFFFAOYSA-N -1 1 423.299 6.402 40 0 HKABMM Cc1sc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[n-]c(=O)c2c1C ZINC000008782795 560756674 /nfs/dbraw/zinc/75/66/74/560756674.db2.gz LKBOSQFODIVBAB-UHFFFAOYSA-N -1 1 401.285 5.291 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000008833691 560756761 /nfs/dbraw/zinc/75/67/61/560756761.db2.gz OPGCDBFCJHJOSV-UHFFFAOYSA-N -1 1 406.507 5.727 40 0 HKABMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 ZINC000008857552 571128243 /nfs/dbraw/zinc/12/82/43/571128243.db2.gz NEMGAFSQKUFJSM-YIZLWERLSA-N -1 1 422.805 5.386 40 0 HKABMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 ZINC000008857553 571128338 /nfs/dbraw/zinc/12/83/38/571128338.db2.gz NEMGAFSQKUFJSM-XXUCPIKUSA-N -1 1 422.805 5.386 40 0 HKABMM O=C([N-]c1nnc(-c2ccccc2)s1)c1sc2cc(Cl)ccc2c1Cl ZINC000009062212 569342099 /nfs/dbraw/zinc/34/20/99/569342099.db2.gz PMANWXOHGLFXFG-UHFFFAOYSA-N -1 1 406.319 5.979 40 0 HKABMM COCc1nn2c([n-]nc3c(=O)cc(-c4ccccc4)cc2-3)c1-c1cccc(Cl)c1 ZINC000009287582 560757713 /nfs/dbraw/zinc/75/77/13/560757713.db2.gz NUGITQDQMDVANS-UHFFFAOYSA-N -1 1 416.868 5.117 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000009903427 560760403 /nfs/dbraw/zinc/76/04/03/560760403.db2.gz LNUTUGZHBGDTOU-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM CCOC(=O)c1c2ccc(CSc3ccccc3)c([O-])c2sc1NC(C)=O ZINC000009943167 568939720 /nfs/dbraw/zinc/93/97/20/568939720.db2.gz PVNLFNSVZUKYQG-UHFFFAOYSA-N -1 1 401.509 5.034 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(Cl)c1Cl ZINC000010112653 557855589 /nfs/dbraw/zinc/85/55/89/557855589.db2.gz KTEFRALSAOQUTI-UHFFFAOYSA-N -1 1 416.326 5.124 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000010112679 560764220 /nfs/dbraw/zinc/76/42/20/560764220.db2.gz JDLPNRBSNHSIBZ-UHFFFAOYSA-N -1 1 419.955 5.442 40 0 HKABMM O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000010112681 557855644 /nfs/dbraw/zinc/85/56/44/557855644.db2.gz BNSFEBOCIDWVQN-UHFFFAOYSA-N -1 1 407.919 5.572 40 0 HKABMM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000010314194 560767265 /nfs/dbraw/zinc/76/72/65/560767265.db2.gz CQKSOLHVTPHVAT-UHFFFAOYSA-N -1 1 422.550 5.182 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1 ZINC000010314200 569343370 /nfs/dbraw/zinc/34/33/70/569343370.db2.gz PKTCLZIWXLLMNA-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000010314251 569343350 /nfs/dbraw/zinc/34/33/50/569343350.db2.gz JRASISAEZMTFGK-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314270 569343380 /nfs/dbraw/zinc/34/33/80/569343380.db2.gz MDPLFGYEQIFNQT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314296 569343384 /nfs/dbraw/zinc/34/33/84/569343384.db2.gz ZBKQLIXOINOFPT-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 ZINC000010314320 569343366 /nfs/dbraw/zinc/34/33/66/569343366.db2.gz QHAREIBMFIVJAA-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3)cc2C)cc1 ZINC000010314345 560767258 /nfs/dbraw/zinc/76/72/58/560767258.db2.gz FKDYYSFBRDEPIQ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 ZINC000010314371 569343406 /nfs/dbraw/zinc/34/34/06/569343406.db2.gz WHMLOVYSVXJYGD-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1Cl ZINC000010314381 569343468 /nfs/dbraw/zinc/34/34/68/569343468.db2.gz BFDYAAYDMRUSRH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314392 569343413 /nfs/dbraw/zinc/34/34/13/569343413.db2.gz GKRJDXGYMSUJMM-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000010314395 560767430 /nfs/dbraw/zinc/76/74/30/560767430.db2.gz OUEWHDQSDKJOQN-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 ZINC000010314399 569343396 /nfs/dbraw/zinc/34/33/96/569343396.db2.gz FUZJYMHQZLLEBY-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314435 569343429 /nfs/dbraw/zinc/34/34/29/569343429.db2.gz DOWLETGGOCCEEY-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCCCc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314468 569343452 /nfs/dbraw/zinc/34/34/52/569343452.db2.gz LNCKWWOGRQRKDA-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM CCc1cccc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314520 569343423 /nfs/dbraw/zinc/34/34/23/569343423.db2.gz XFMNFYYNMZSDSY-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314547 560767395 /nfs/dbraw/zinc/76/73/95/560767395.db2.gz SDJPBAVKIKWAIX-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000010314647 560767377 /nfs/dbraw/zinc/76/73/77/560767377.db2.gz QDKRKUMHTFWUDB-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314653 569343470 /nfs/dbraw/zinc/34/34/70/569343470.db2.gz KXZCFGMDMMAFTH-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314654 569343466 /nfs/dbraw/zinc/34/34/66/569343466.db2.gz IIMVVSIVKZEMGK-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCc1cccc(C)c1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314658 557859485 /nfs/dbraw/zinc/85/94/85/557859485.db2.gz OUOXEWKQHPBNIR-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000010314665 569343419 /nfs/dbraw/zinc/34/34/19/569343419.db2.gz KQYFKBXMKFURDJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(C)C)c2C)cc1 ZINC000010314684 569343404 /nfs/dbraw/zinc/34/34/04/569343404.db2.gz CJZAFHJOQIEOMG-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314698 560767348 /nfs/dbraw/zinc/76/73/48/560767348.db2.gz XMUIONLUGPKCQW-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cccc(C(C)C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314784 569343411 /nfs/dbraw/zinc/34/34/11/569343411.db2.gz BLTFLSVJOWXARG-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000010314851 569343545 /nfs/dbraw/zinc/34/35/45/569343545.db2.gz BSAFLDYLFLXRCK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C(=O)Nc2cccc3ccccc32)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314852 569343527 /nfs/dbraw/zinc/34/35/27/569343527.db2.gz WOEJYTABGUBVCN-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C)cc1 ZINC000010314867 569343573 /nfs/dbraw/zinc/34/35/73/569343573.db2.gz VIPSSJDQRUJCEM-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2ccccc2c1 ZINC000010314899 569343535 /nfs/dbraw/zinc/34/35/35/569343535.db2.gz FJOZDSQZXWRRIE-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000010314915 569343504 /nfs/dbraw/zinc/34/35/04/569343504.db2.gz PGXXJNCSWBJUER-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314928 569343523 /nfs/dbraw/zinc/34/35/23/569343523.db2.gz ZKCHECDYSUNZFM-UHFFFAOYSA-N -1 1 408.523 5.082 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314934 569343496 /nfs/dbraw/zinc/34/34/96/569343496.db2.gz VWVPFSIKJPUZLQ-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM Cc1c(Cl)cccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010314965 569343577 /nfs/dbraw/zinc/34/35/77/569343577.db2.gz SCWWHFLNTNFFAB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc2ccccc21 ZINC000010315033 569343569 /nfs/dbraw/zinc/34/35/69/569343569.db2.gz WEQHBCYGHGPHKM-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315110 569343484 /nfs/dbraw/zinc/34/34/84/569343484.db2.gz YUNYKHNCHBDZDR-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3Cl)c2C)cc1 ZINC000010315125 569343529 /nfs/dbraw/zinc/34/35/29/569343529.db2.gz UTLGIHYLJSZZFD-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1Cl ZINC000010315163 569343620 /nfs/dbraw/zinc/34/36/20/569343620.db2.gz MRIMOXQDMUTWKZ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C)cc1 ZINC000010315210 560767685 /nfs/dbraw/zinc/76/76/85/560767685.db2.gz UVSUIQGJOHLHBV-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1cc(Cl)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010315271 569343633 /nfs/dbraw/zinc/34/36/33/569343633.db2.gz REXUYPCEMITRKW-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315284 560767690 /nfs/dbraw/zinc/76/76/90/560767690.db2.gz OGIYRXJUGILSSP-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000010328081 569343739 /nfs/dbraw/zinc/34/37/39/569343739.db2.gz HCRMRICAXQHDIE-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010328256 557860418 /nfs/dbraw/zinc/86/04/18/557860418.db2.gz YNUOVRJEEKEABC-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010328522 560768182 /nfs/dbraw/zinc/76/81/82/560768182.db2.gz ADKSMKOWDOODQX-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010328710 569343825 /nfs/dbraw/zinc/34/38/25/569343825.db2.gz XMTIEJSHAHVWSZ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010328724 569343779 /nfs/dbraw/zinc/34/37/79/569343779.db2.gz VYTFLMCMNYFNKP-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010328809 557860445 /nfs/dbraw/zinc/86/04/45/557860445.db2.gz FKBWOCQHQNSKMY-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM O=C(Nc1ccc(Cl)cc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010329162 557860453 /nfs/dbraw/zinc/86/04/53/557860453.db2.gz VXZNAHXCYRPPTC-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010329643 557860398 /nfs/dbraw/zinc/86/03/98/557860398.db2.gz KTWDOAPGEHQIIT-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010330656 557860644 /nfs/dbraw/zinc/86/06/44/557860644.db2.gz LHCZQGPBVMUICR-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM Cc1ccc(Cl)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010331616 569343848 /nfs/dbraw/zinc/34/38/48/569343848.db2.gz VYSBWJQGZYRPQR-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010332043 569343887 /nfs/dbraw/zinc/34/38/87/569343887.db2.gz UCAVYFHTFGLSID-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 ZINC000010332952 569343860 /nfs/dbraw/zinc/34/38/60/569343860.db2.gz MBGNALVGNFSCAD-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C)cc1 ZINC000010332989 569343856 /nfs/dbraw/zinc/34/38/56/569343856.db2.gz AKMXKSLBOPOAIJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1cccc(Cl)c1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010333401 560767710 /nfs/dbraw/zinc/76/77/10/560767710.db2.gz HJXABKCVRPTVJD-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 ZINC000010334290 557860862 /nfs/dbraw/zinc/86/08/62/557860862.db2.gz CBMVLVPTBCBJMV-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1cc(Cl)ccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010334631 557860872 /nfs/dbraw/zinc/86/08/72/557860872.db2.gz YAOFDTIZWLRFEV-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 ZINC000010357213 569344018 /nfs/dbraw/zinc/34/40/18/569344018.db2.gz APHDUATYYPBOHF-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(C(C)C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000010357379 569344075 /nfs/dbraw/zinc/34/40/75/569344075.db2.gz WIYQBCDKKLFGGE-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 ZINC000010357508 569344051 /nfs/dbraw/zinc/34/40/51/569344051.db2.gz LUKPQRKCRKKMGU-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)cc2C)cc1 ZINC000010357909 569344048 /nfs/dbraw/zinc/34/40/48/569344048.db2.gz LLKRCUUNKVWVBT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(C)C ZINC000010358729 569344016 /nfs/dbraw/zinc/34/40/16/569344016.db2.gz BFFNQPHKGFMHTK-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 ZINC000010359575 569344029 /nfs/dbraw/zinc/34/40/29/569344029.db2.gz YQSXTDUCXRLATE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3)c2C)cc1 ZINC000010359877 569344096 /nfs/dbraw/zinc/34/40/96/569344096.db2.gz CWLZXSNJSCBBCJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010360279 569344117 /nfs/dbraw/zinc/34/41/17/569344117.db2.gz SUANNLUNIBWFAX-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010362612 569344113 /nfs/dbraw/zinc/34/41/13/569344113.db2.gz CKABYIQMAVPXMM-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010362709 569344140 /nfs/dbraw/zinc/34/41/40/569344140.db2.gz PQONDVQGUZUDNO-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000010363562 569344174 /nfs/dbraw/zinc/34/41/74/569344174.db2.gz GJAMFOWKTAKZRF-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000010366875 569344169 /nfs/dbraw/zinc/34/41/69/569344169.db2.gz ZTYPMGDWGBMOFS-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010370336 569344267 /nfs/dbraw/zinc/34/42/67/569344267.db2.gz TXYCHYPTMQHPIN-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM O=C(Nc1c(Cl)cccc1Cl)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010370409 569344245 /nfs/dbraw/zinc/34/42/45/569344245.db2.gz AYXMGHATLPIFCX-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010370955 569344305 /nfs/dbraw/zinc/34/43/05/569344305.db2.gz HFTSBPKNJKVKPF-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010371655 569344303 /nfs/dbraw/zinc/34/43/03/569344303.db2.gz AFAULEJOUKYVKN-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM CCc1ccc(NCCC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000012413408 568717067 /nfs/dbraw/zinc/71/70/67/568717067.db2.gz HQYRZEHECGXXMR-UHFFFAOYSA-N -1 1 422.550 5.043 40 0 HKABMM Cc1nn(-c2ccccc2)c2sc(-c3nnc([S-])n3CCc3ccccc3)cc12 ZINC000013535209 560812522 /nfs/dbraw/zinc/81/25/22/560812522.db2.gz FGPNAZCRAJGORN-UHFFFAOYSA-N -1 1 417.563 5.185 40 0 HKABMM CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000013551641 560815598 /nfs/dbraw/zinc/81/55/98/560815598.db2.gz ZPFWXVHPXHAXKP-CAOOACKPSA-N -1 1 424.305 5.295 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013612046 558548756 /nfs/dbraw/zinc/54/87/56/558548756.db2.gz DRJJERFWOJLXLB-UHFFFAOYSA-N -1 1 403.956 5.742 40 0 HKABMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccccc1Sc1ccccc1 ZINC000013680818 558566335 /nfs/dbraw/zinc/56/63/35/558566335.db2.gz WQAVTXJEUJTRET-UHFFFAOYSA-N -1 1 424.374 6.087 40 0 HKABMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000013981740 560831306 /nfs/dbraw/zinc/83/13/06/560831306.db2.gz YDMADDXQDSGMOP-UHFFFAOYSA-N -1 1 408.523 5.037 40 0 HKABMM CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000014153612 560839156 /nfs/dbraw/zinc/83/91/56/560839156.db2.gz ITGCIZNOHHUBQT-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000014153655 560839153 /nfs/dbraw/zinc/83/91/53/560839153.db2.gz YFYQKSMCTLKCSW-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000014154099 560839955 /nfs/dbraw/zinc/83/99/55/560839955.db2.gz XJHXXSJBGFFJJK-XNTDXEJSSA-N -1 1 420.534 5.065 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c1 ZINC000014154835 560840092 /nfs/dbraw/zinc/84/00/92/560840092.db2.gz ZBJFWYBXNIZXSP-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000014155314 560840096 /nfs/dbraw/zinc/84/00/96/560840096.db2.gz GJBVJWXBXQCCJA-UHFFFAOYSA-N -1 1 413.608 5.749 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014155677 560840161 /nfs/dbraw/zinc/84/01/61/560840161.db2.gz DFYNIWCYCIRZNH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc2c(C)nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[n-]3)nc2c1 ZINC000014608239 560847460 /nfs/dbraw/zinc/84/74/60/560847460.db2.gz PGSXJCNLOGMONR-UHFFFAOYSA-N -1 1 423.929 5.019 40 0 HKABMM Cc1ccc(COc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000015055780 560852338 /nfs/dbraw/zinc/85/23/38/560852338.db2.gz PWUOHNOVLXEVPF-SXGWCWSVSA-N -1 1 420.353 5.666 40 0 HKABMM CC(C)=CCC/C(C)=C/Cc1cc([C@H]2CC(=O)c3c(O)cc([O-])cc3O2)c(O)cc1O ZINC000015253910 569321838 /nfs/dbraw/zinc/32/18/38/569321838.db2.gz GJFHZVPRFLHEBR-RGPRSXKESA-N -1 1 424.493 5.451 40 0 endogenous,in-man HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 ZINC000015408807 569345029 /nfs/dbraw/zinc/34/50/29/569345029.db2.gz GCCAFCQNAYXKIR-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccccc1Cl ZINC000015438735 558740030 /nfs/dbraw/zinc/74/00/30/558740030.db2.gz PQZSVIBIUIPWQC-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000015438776 558740041 /nfs/dbraw/zinc/74/00/41/558740041.db2.gz OVVFSESMWNTBAE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(C)c1 ZINC000015438795 558740035 /nfs/dbraw/zinc/74/00/35/558740035.db2.gz ZBZCPXJCJIGYMG-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000015541101 558742874 /nfs/dbraw/zinc/74/28/74/558742874.db2.gz MBEGHBPEYWBWQA-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)c1 ZINC000015542040 558743144 /nfs/dbraw/zinc/74/31/44/558743144.db2.gz UQTLPCWZWTWTJL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1Cl ZINC000016226894 558779837 /nfs/dbraw/zinc/77/98/37/558779837.db2.gz MTFTXMMXUMYFNM-UHFFFAOYSA-N -1 1 419.955 5.442 40 0 HKABMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000016401600 558790097 /nfs/dbraw/zinc/79/00/97/558790097.db2.gz ZSUFIJPDIDJBSY-UHFFFAOYSA-N -1 1 416.304 5.560 40 0 HKABMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000016450007 558792264 /nfs/dbraw/zinc/79/22/64/558792264.db2.gz LNRUTDWWNCFDGR-UHFFFAOYSA-N -1 1 416.304 5.560 40 0 HKABMM O=S(=O)([N-]c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1 ZINC000016491536 558794602 /nfs/dbraw/zinc/79/46/02/558794602.db2.gz DKRWLAMVDOFVOR-UHFFFAOYSA-N -1 1 419.289 5.602 40 0 HKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000016807614 558807756 /nfs/dbraw/zinc/80/77/56/558807756.db2.gz SMNJOVCVARIDLU-UHFFFAOYSA-N -1 1 418.518 5.251 40 0 HKABMM CCCCCC[C@H](O)C/C=C/CCCCCCc1c(=O)[n-]c(=S)[nH]c1C(=O)OC ZINC000016952838 558809828 /nfs/dbraw/zinc/80/98/28/558809828.db2.gz VMPUSPLQIAFVDX-KQPPXVQYSA-N -1 1 424.607 5.402 40 0 HKABMM CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c([O-])c1 ZINC000017088950 560863924 /nfs/dbraw/zinc/86/39/24/560863924.db2.gz GSRRCQQZXXNCRL-UHFFFAOYSA-N -1 1 411.527 5.156 40 0 HKABMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3[O-])nc2c1 ZINC000017088957 560863896 /nfs/dbraw/zinc/86/38/96/560863896.db2.gz FAMJVPDKAXANQD-UHFFFAOYSA-N -1 1 411.527 5.183 40 0 HKABMM CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c([O-])c1 ZINC000017088959 560863902 /nfs/dbraw/zinc/86/39/02/560863902.db2.gz YCFFPEDAPBXEGQ-UHFFFAOYSA-N -1 1 411.527 5.211 40 0 HKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3[O-])oc2c(C)c1 ZINC000017093622 560868136 /nfs/dbraw/zinc/86/81/36/560868136.db2.gz VKOAKIATATVYAP-UHFFFAOYSA-N -1 1 423.519 5.006 40 0 HKABMM CCCCCC[C@@H](O)C/C=C/CCCCCCc1c(=O)[n-]c(=S)[nH]c1C(=O)OC ZINC000017176666 558824812 /nfs/dbraw/zinc/82/48/12/558824812.db2.gz VMPUSPLQIAFVDX-XLNAKTSKSA-N -1 1 424.607 5.402 40 0 HKABMM Cc1ccc(SCc2cc(=O)[n-]c(Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000019819608 558289901 /nfs/dbraw/zinc/28/99/01/558289901.db2.gz YYBYSFLPJIVECN-UHFFFAOYSA-N -1 1 406.536 5.238 40 0 HKABMM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000019937307 558312434 /nfs/dbraw/zinc/31/24/34/558312434.db2.gz VRSXNAJZWGSNKW-UHFFFAOYSA-N -1 1 417.852 5.135 40 0 HKABMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020041225 524298064 /nfs/dbraw/zinc/29/80/64/524298064.db2.gz WGXPYIBVACFRHZ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000020043280 558326570 /nfs/dbraw/zinc/32/65/70/558326570.db2.gz RDEGHHBTLLVKGB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020046227 558327324 /nfs/dbraw/zinc/32/73/24/558327324.db2.gz CGVXEMUQRLMXDR-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020048341 558328133 /nfs/dbraw/zinc/32/81/33/558328133.db2.gz UYQFLOVFPYLNMP-UHFFFAOYSA-N -1 1 422.550 5.346 40 0 HKABMM CC(C)C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020048430 558327983 /nfs/dbraw/zinc/32/79/83/558327983.db2.gz LFHMWZSOAZWYOI-HSZRJFAPSA-N -1 1 422.550 5.005 40 0 HKABMM CC(C)C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000020048433 558328007 /nfs/dbraw/zinc/32/80/07/558328007.db2.gz LFHMWZSOAZWYOI-QHCPKHFHSA-N -1 1 422.550 5.005 40 0 HKABMM Cc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1C ZINC000020050805 558328492 /nfs/dbraw/zinc/32/84/92/558328492.db2.gz WMUXYGUXCHDVOP-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000020051072 558328572 /nfs/dbraw/zinc/32/85/72/558328572.db2.gz XYQDAHCNWIEDNY-UHFFFAOYSA-N -1 1 408.523 5.037 40 0 HKABMM O=C(Nc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020106876 558333759 /nfs/dbraw/zinc/33/37/59/558333759.db2.gz OBADIBHLWWYOHB-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccccc1Cl)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020107567 558334191 /nfs/dbraw/zinc/33/41/91/558334191.db2.gz VNVVIJZKKCMCPM-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Oc2ccccc2)cc1 ZINC000020107777 558334132 /nfs/dbraw/zinc/33/41/32/558334132.db2.gz OKBMDQMHGPBMBO-UHFFFAOYSA-N -1 1 404.285 5.042 40 0 HKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1C ZINC000020108442 558334304 /nfs/dbraw/zinc/33/43/04/558334304.db2.gz NHYMPZASIKMSFK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020111648 558336079 /nfs/dbraw/zinc/33/60/79/558336079.db2.gz DKIDAPZNKNSMPT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1cccc(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456409 558369992 /nfs/dbraw/zinc/36/99/92/558369992.db2.gz KFZJOWHNFHUZKV-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000020457932 560884224 /nfs/dbraw/zinc/88/42/24/560884224.db2.gz AWKILONKVSYMSS-OVCLIPMQSA-N -1 1 424.316 5.496 40 0 HKABMM O=C(Nc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020492473 558378510 /nfs/dbraw/zinc/37/85/10/558378510.db2.gz PFLLHHQUIVLYFF-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1F ZINC000020495136 527515424 /nfs/dbraw/zinc/51/54/24/527515424.db2.gz MCBBBGOWCIGOJE-OVCLIPMQSA-N -1 1 424.316 5.496 40 0 HKABMM O=C(Nc1cccc(Cl)c1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570858 527343915 /nfs/dbraw/zinc/34/39/15/527343915.db2.gz XTGUUKPWSKVNNH-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(Cl)cc1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020570859 527181679 /nfs/dbraw/zinc/18/16/79/527181679.db2.gz BFHQRBZJZADZQA-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020571194 568457203 /nfs/dbraw/zinc/45/72/03/568457203.db2.gz JOVVDVLWTPLGEZ-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020571197 568457193 /nfs/dbraw/zinc/45/71/93/568457193.db2.gz MQQZTTPVHSMPMD-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020571685 527343787 /nfs/dbraw/zinc/34/37/87/527343787.db2.gz RLTLBBSHGGPZSK-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020571686 527182173 /nfs/dbraw/zinc/18/21/73/527182173.db2.gz RJDFVZGJEQEBPQ-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000021305598 558435337 /nfs/dbraw/zinc/43/53/37/558435337.db2.gz WSVQDQWFUKXWNR-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 ZINC000021578706 568466953 /nfs/dbraw/zinc/46/69/53/568466953.db2.gz CHROCWOTKXLZCY-UHFFFAOYSA-N -1 1 406.507 5.529 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022109718 568475527 /nfs/dbraw/zinc/47/55/27/568475527.db2.gz IISYHIRNUSLEFI-UHFFFAOYSA-N -1 1 423.369 5.523 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022109723 568475555 /nfs/dbraw/zinc/47/55/55/568475555.db2.gz KRBRLUWGBZLEBO-UHFFFAOYSA-N -1 1 423.369 5.523 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022109809 568475471 /nfs/dbraw/zinc/47/54/71/568475471.db2.gz JQWAOAZUDRIKLI-UHFFFAOYSA-N -1 1 423.369 5.523 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022109913 568475565 /nfs/dbraw/zinc/47/55/65/568475565.db2.gz XEPFVTATWCMYLW-UHFFFAOYSA-N -1 1 423.369 5.523 40 0 HKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022109918 568475563 /nfs/dbraw/zinc/47/55/63/568475563.db2.gz POPFTVXYIHUOSN-UHFFFAOYSA-N -1 1 423.369 5.523 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022109964 568475464 /nfs/dbraw/zinc/47/54/64/568475464.db2.gz PATMQHQOTKXIND-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccccc1Cl ZINC000022109969 568475452 /nfs/dbraw/zinc/47/54/52/568475452.db2.gz NEPKZDPZVCNNAE-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022109979 568475481 /nfs/dbraw/zinc/47/54/81/568475481.db2.gz FRTZBCDWPZZGOE-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000022109984 568475523 /nfs/dbraw/zinc/47/55/23/568475523.db2.gz NKGBLMRBQCJISW-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022110101 568475448 /nfs/dbraw/zinc/47/54/48/568475448.db2.gz GRVNELIORKQWNU-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cccc(OCc2ccccc2Cl)c1 ZINC000022110112 568475561 /nfs/dbraw/zinc/47/55/61/568475561.db2.gz MJNIMGLARKKPFW-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022110218 568475510 /nfs/dbraw/zinc/47/55/10/568475510.db2.gz REVXDPFEOAYXQQ-UHFFFAOYSA-N -1 1 422.941 5.584 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022110383 568475468 /nfs/dbraw/zinc/47/54/68/568475468.db2.gz BQIYBXQILLTURH-UHFFFAOYSA-N -1 1 424.957 5.632 40 0 HKABMM CCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022110389 568475532 /nfs/dbraw/zinc/47/55/32/568475532.db2.gz SOKBYCXXSLKMIO-UHFFFAOYSA-N -1 1 424.957 5.632 40 0 HKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1cccs1 ZINC000022111328 568475713 /nfs/dbraw/zinc/47/57/13/568475713.db2.gz HHDQSBIWYMFFNC-UHFFFAOYSA-N -1 1 424.551 5.000 40 0 HKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(OCc2cccs2)cc1 ZINC000022111340 568475687 /nfs/dbraw/zinc/47/56/87/568475687.db2.gz YNORURAUHCNBMH-UHFFFAOYSA-N -1 1 424.551 5.000 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022111345 568475700 /nfs/dbraw/zinc/47/57/00/568475700.db2.gz SYDLUXIAJUNLKU-UHFFFAOYSA-N -1 1 417.321 5.918 40 0 HKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022111349 568475711 /nfs/dbraw/zinc/47/57/11/568475711.db2.gz WWQAPNOFCMKXAA-UHFFFAOYSA-N -1 1 418.309 5.313 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022111357 568475696 /nfs/dbraw/zinc/47/56/96/568475696.db2.gz INGRUTZIAXNGRE-UHFFFAOYSA-N -1 1 417.321 5.918 40 0 HKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022111361 568475610 /nfs/dbraw/zinc/47/56/10/568475610.db2.gz OIAHBMGBWKUEER-UHFFFAOYSA-N -1 1 418.309 5.313 40 0 HKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022111447 568475650 /nfs/dbraw/zinc/47/56/50/568475650.db2.gz KANQMFWDEKDNIA-UHFFFAOYSA-N -1 1 417.321 5.918 40 0 HKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022111451 568475603 /nfs/dbraw/zinc/47/56/03/568475603.db2.gz MVJYJVCZLGOWDJ-UHFFFAOYSA-N -1 1 418.309 5.313 40 0 HKABMM S=c1[n-]ncn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111835 568475627 /nfs/dbraw/zinc/47/56/27/568475627.db2.gz ZPRLGJDHFWKIEU-UHFFFAOYSA-N -1 1 415.733 5.224 40 0 HKABMM CCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OCC)c(Cl)c3)cc2s1 ZINC000022255209 558474244 /nfs/dbraw/zinc/47/42/44/558474244.db2.gz IKDDGZWQWHGFQK-UHFFFAOYSA-N -1 1 410.948 5.102 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000022514053 558493585 /nfs/dbraw/zinc/49/35/85/558493585.db2.gz YOGGYXGYNKMZAL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000022526030 558495883 /nfs/dbraw/zinc/49/58/83/558495883.db2.gz NLNGVHKIIAOTAA-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000022532652 558497217 /nfs/dbraw/zinc/49/72/17/558497217.db2.gz UYCSYSVXXKYSSF-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025377741 568522460 /nfs/dbraw/zinc/52/24/60/568522460.db2.gz OQIZCOCKDWLVBE-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1Cl ZINC000026593425 569041287 /nfs/dbraw/zinc/04/12/87/569041287.db2.gz VSDKXHCNBSNFFW-YVLHZVERSA-N -1 1 405.928 5.647 40 0 HKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000026675974 558664203 /nfs/dbraw/zinc/66/42/03/558664203.db2.gz KDVXVVWWCQAKPJ-SXGWCWSVSA-N -1 1 405.928 5.565 40 0 HKABMM Cc1ccc(OCCCn2cc(C=C3SC(=S)[N-]C3=O)c3ccccc32)cc1 ZINC000026712650 569053403 /nfs/dbraw/zinc/05/34/03/569053403.db2.gz KDGJNQLETSOPEJ-MOSHPQCFSA-N -1 1 408.548 5.748 40 0 HKABMM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000030752971 558736453 /nfs/dbraw/zinc/73/64/53/558736453.db2.gz NZMDUIWNJFQRIV-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000030753738 558736370 /nfs/dbraw/zinc/73/63/70/558736370.db2.gz JENPEMUJRHHTIB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000030851418 558740044 /nfs/dbraw/zinc/74/00/44/558740044.db2.gz JNBOIPAFMXIWAV-UHFFFAOYSA-N -1 1 411.498 5.155 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000030864668 558742235 /nfs/dbraw/zinc/74/22/35/558742235.db2.gz SMBCBYBPXBHAJE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030867149 558742695 /nfs/dbraw/zinc/74/26/95/558742695.db2.gz NEOHJIZRCWAGNQ-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCCCOc1ccc(Cl)cc1 ZINC000032109510 527514680 /nfs/dbraw/zinc/51/46/80/527514680.db2.gz CTTCDDKMPHBECC-ATVHPVEESA-N -1 1 405.928 5.517 40 0 HKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1F ZINC000032109514 521977532 /nfs/dbraw/zinc/97/75/32/521977532.db2.gz UCTPPAMFXOGWSC-NVNXTCNLSA-N -1 1 409.891 5.396 40 0 HKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1F ZINC000032109515 520635693 /nfs/dbraw/zinc/63/56/93/520635693.db2.gz ZKHXHISPVYPSRB-SXGWCWSVSA-N -1 1 423.918 5.786 40 0 HKABMM Cc1ccc(OCc2nnc([N-]C(=O)c3ccc(-c4ccccc4F)o3)s2)cc1 ZINC000032502375 525451853 /nfs/dbraw/zinc/45/18/53/525451853.db2.gz PFNGJMZEOZMITA-UHFFFAOYSA-N -1 1 409.442 5.077 40 0 HKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000033424438 568697104 /nfs/dbraw/zinc/69/71/04/568697104.db2.gz ZSIWITYVDAUYPS-YVLHZVERSA-N -1 1 419.955 5.955 40 0 HKABMM Cc1sc2nc(-c3ccc(Sc4cccc5cccnc54)o3)[n-]c(=O)c2c1C ZINC000033597663 569350656 /nfs/dbraw/zinc/35/06/56/569350656.db2.gz BYWYDSXQNBRNPM-UHFFFAOYSA-N -1 1 405.504 5.561 40 0 HKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c1 ZINC000033613401 569350716 /nfs/dbraw/zinc/35/07/16/569350716.db2.gz MPBTXIUAKRAIIL-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000033636509 568697846 /nfs/dbraw/zinc/69/78/46/568697846.db2.gz AGAIDZBVLWZVFJ-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 ZINC000033691841 569351044 /nfs/dbraw/zinc/35/10/44/569351044.db2.gz IPTGXCWAZIHYDY-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1 ZINC000033701314 568697605 /nfs/dbraw/zinc/69/76/05/568697605.db2.gz QRFJAYNZZJELSU-YBEGLDIGSA-N -1 1 405.928 5.647 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000033702512 568697569 /nfs/dbraw/zinc/69/75/69/568697569.db2.gz HUAMPSOSNWEVFQ-DHDCSXOGSA-N -1 1 406.326 5.357 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1ccc(OCc2ccccc2F)c(Br)c1 ZINC000033706072 569351092 /nfs/dbraw/zinc/35/10/92/569351092.db2.gz GISVLBBPRJPERR-NVNXTCNLSA-N -1 1 424.316 5.496 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1C ZINC000033739804 569351285 /nfs/dbraw/zinc/35/12/85/569351285.db2.gz LGQYSJMWQKZCRN-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM O=S(=O)([N-]c1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc2ccccc2c1 ZINC000033741418 569351277 /nfs/dbraw/zinc/35/12/77/569351277.db2.gz YGWAGEBGKUWSPM-UHFFFAOYSA-N -1 1 417.574 6.180 40 0 HKABMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000033761404 569351244 /nfs/dbraw/zinc/35/12/44/569351244.db2.gz GBXIVGKEKCQXDR-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000035213827 557573372 /nfs/dbraw/zinc/57/33/72/557573372.db2.gz CTTUKDUHLBTIQV-AUWJEWJLSA-N -1 1 414.310 6.041 40 0 HKABMM CCOc1ccc(-c2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)o2)cc1 ZINC000035589988 569045383 /nfs/dbraw/zinc/04/53/83/569045383.db2.gz KCTGSMMKQRVPHM-UHFFFAOYSA-N -1 1 424.844 5.004 40 0 HKABMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC)c3ccccc32)cc1 ZINC000036636288 558800545 /nfs/dbraw/zinc/80/05/45/558800545.db2.gz WTLONEFLGYFZKD-UHFFFAOYSA-N -1 1 413.539 5.608 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000038752742 558813725 /nfs/dbraw/zinc/81/37/25/558813725.db2.gz QCGIIURDTUHJLL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000038754335 558814185 /nfs/dbraw/zinc/81/41/85/558814185.db2.gz DKPZKRNNRWQOJN-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Br)ccc3[O-])nc2c1 ZINC000041085978 524086043 /nfs/dbraw/zinc/08/60/43/524086043.db2.gz NAEAVGULJRKYKR-UHFFFAOYSA-N -1 1 423.266 5.524 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000044840373 525240951 /nfs/dbraw/zinc/24/09/51/525240951.db2.gz BOTRILAURWREPI-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044900860 525614502 /nfs/dbraw/zinc/61/45/02/525614502.db2.gz NDFNXHLCEMPSSU-UHFFFAOYSA-N -1 1 407.535 5.324 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044902201 525085411 /nfs/dbraw/zinc/08/54/11/525085411.db2.gz YGLTWFBZVHLJOD-UHFFFAOYSA-N -1 1 423.534 5.025 40 0 HKABMM CC(C)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000044904062 519392532 /nfs/dbraw/zinc/39/25/32/519392532.db2.gz DEMJVPYJJYKUIS-QHCPKHFHSA-N -1 1 422.550 5.005 40 0 HKABMM CC(C)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000044904065 519246565 /nfs/dbraw/zinc/24/65/65/519246565.db2.gz DEMJVPYJJYKUIS-HSZRJFAPSA-N -1 1 422.550 5.005 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044948225 525241455 /nfs/dbraw/zinc/24/14/55/525241455.db2.gz QVCKEPJOGJHERB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000044950264 524433959 /nfs/dbraw/zinc/43/39/59/524433959.db2.gz OIPMPUCJYCNTCN-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156162 558841789 /nfs/dbraw/zinc/84/17/89/558841789.db2.gz UDVGFEPLSUPINP-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000058058934 569352305 /nfs/dbraw/zinc/35/23/05/569352305.db2.gz DLSRGQULUJNSHR-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000058059004 558897253 /nfs/dbraw/zinc/89/72/53/558897253.db2.gz GHQFGAUOMOQYJK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000058821993 568699719 /nfs/dbraw/zinc/69/97/19/568699719.db2.gz OJKLHYGDVNWCNQ-ODLFYWEKSA-N -1 1 411.935 6.401 40 0 HKABMM O=C1[N-]C(=S)SC1=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000059201141 568702697 /nfs/dbraw/zinc/70/26/97/568702697.db2.gz ALUIXTRYQLOMQD-IUXPMGMMSA-N -1 1 402.903 5.811 40 0 HKABMM CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000060524909 558943202 /nfs/dbraw/zinc/94/32/02/558943202.db2.gz ZWIHOIBKSCJAFC-UHFFFAOYSA-N -1 1 412.486 5.002 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c1 ZINC000060524910 558943105 /nfs/dbraw/zinc/94/31/05/558943105.db2.gz MDXUYAUXVSZLIE-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000060524934 558943112 /nfs/dbraw/zinc/94/31/12/558943112.db2.gz QDVJLUKPGXACEN-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CC(C)c1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3[O-])nc2c1 ZINC000070462011 568918228 /nfs/dbraw/zinc/91/82/28/568918228.db2.gz UXCQHOMFVAWPQD-UHFFFAOYSA-N -1 1 413.688 5.633 40 0 HKABMM CC(C)c1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3[O-])nc2c1 ZINC000070462057 568918216 /nfs/dbraw/zinc/91/82/16/568918216.db2.gz FZWDJIHKGGAFPP-UHFFFAOYSA-N -1 1 413.688 5.633 40 0 HKABMM O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)C(Cl)(Cl)Cl ZINC000070462060 568918278 /nfs/dbraw/zinc/91/82/78/568918278.db2.gz JBNBEYOGGVBKON-UHFFFAOYSA-N -1 1 406.052 5.163 40 0 HKABMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)C(Cl)(Cl)Cl ZINC000070462068 568918260 /nfs/dbraw/zinc/91/82/60/568918260.db2.gz SFAKAMUOHLDAHD-UHFFFAOYSA-N -1 1 406.052 5.163 40 0 HKABMM C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000096297099 291295574 /nfs/dbraw/zinc/29/55/74/291295574.db2.gz GTIPCSPRBXRZCV-LLVKDONJSA-N -1 1 408.351 5.049 40 0 biogenic,in-vitro HKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Cl)c1[O-] ZINC000104354497 569352652 /nfs/dbraw/zinc/35/26/52/569352652.db2.gz PIZGAWLJHKEAQJ-UHFFFAOYSA-N -1 1 404.919 5.068 40 0 HKABMM O=C1S/C(=C\c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686689 560745267 /nfs/dbraw/zinc/74/52/67/560745267.db2.gz IBYLZHOEPOBBJG-NVNXTCNLSA-N -1 1 424.703 5.045 40 0 HKABMM O=C1S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106722277 560745805 /nfs/dbraw/zinc/74/58/05/560745805.db2.gz MHUADZPFMQOHAV-NVNXTCNLSA-N -1 1 424.703 5.045 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c1 ZINC000107538609 569352720 /nfs/dbraw/zinc/35/27/20/569352720.db2.gz IOAAGNQEVJVXDV-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000107614159 569352734 /nfs/dbraw/zinc/35/27/34/569352734.db2.gz ZGSDZWPTHYSLKG-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c(C)c1 ZINC000107620818 569352749 /nfs/dbraw/zinc/35/27/49/569352749.db2.gz ZRNVFTBXGAGVBZ-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c(C)c1 ZINC000107737671 569352939 /nfs/dbraw/zinc/35/29/39/569352939.db2.gz TZDTYZNHLOPMBC-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000107813665 569353015 /nfs/dbraw/zinc/35/30/15/569353015.db2.gz ROXIVSXVSQJIEY-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 ZINC000107925897 569353193 /nfs/dbraw/zinc/35/31/93/569353193.db2.gz LLFJGRHXHLMAFO-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000107977686 569353229 /nfs/dbraw/zinc/35/32/29/569353229.db2.gz UMIFTUASWCGDES-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 ZINC000108012500 569353314 /nfs/dbraw/zinc/35/33/14/569353314.db2.gz IHBAGDSDTATUKM-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000113834004 560805191 /nfs/dbraw/zinc/80/51/91/560805191.db2.gz PDMVTKYKMNGLCB-RQZCQDPDSA-N -1 1 424.305 5.295 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000113936118 560806411 /nfs/dbraw/zinc/80/64/11/560806411.db2.gz YDMVDVBSYCXUGX-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000138403115 559282193 /nfs/dbraw/zinc/28/21/93/559282193.db2.gz UCFXVPYHPXKDTF-UHFFFAOYSA-N -1 1 422.550 5.346 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214444249 569356299 /nfs/dbraw/zinc/35/62/99/569356299.db2.gz DCFRBMPJKCICGE-GIDUJCDVSA-N -1 1 414.697 5.589 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214705027 558263361 /nfs/dbraw/zinc/26/33/61/558263361.db2.gz UEGCOOMQTPGHOS-VIZOYTHASA-N -1 1 414.697 5.589 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccccc1Br ZINC000214973117 569356419 /nfs/dbraw/zinc/35/64/19/569356419.db2.gz JMUQKQYWUHACIL-OVCLIPMQSA-N -1 1 424.703 5.045 40 0 HKABMM Cc1cccc(C)c1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216349561 568464668 /nfs/dbraw/zinc/46/46/68/568464668.db2.gz JTWPNHLUUVMDNM-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216445542 568465433 /nfs/dbraw/zinc/46/54/33/568465433.db2.gz AMHBSRCNZGVXLH-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000223437266 568548918 /nfs/dbraw/zinc/54/89/18/568548918.db2.gz FKEJTLHQAFJPAU-UHFFFAOYSA-N -1 1 419.955 5.442 40 0 HKABMM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000223437360 568548921 /nfs/dbraw/zinc/54/89/21/568548921.db2.gz YXWBTTZPWKQPQX-UHFFFAOYSA-N -1 1 405.928 5.655 40 0 HKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000223462965 568549709 /nfs/dbraw/zinc/54/97/09/568549709.db2.gz HECKCCQHUBFFSX-UHFFFAOYSA-N -1 1 420.600 5.146 40 0 HKABMM O=S(=O)([N-]c1cccc(OCCc2ccccc2)c1)c1ccc2ccccc2c1 ZINC000223652320 568555017 /nfs/dbraw/zinc/55/50/17/568555017.db2.gz UMBJIBHGVQYUJB-UHFFFAOYSA-N -1 1 403.503 5.262 40 0 HKABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000223674540 568555857 /nfs/dbraw/zinc/55/58/57/568555857.db2.gz LTZDRITXGRJNKX-UHFFFAOYSA-N -1 1 421.562 5.633 40 0 HKABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)c1 ZINC000223675453 568555832 /nfs/dbraw/zinc/55/58/32/568555832.db2.gz DLQWYKRATILELP-UHFFFAOYSA-N -1 1 417.983 6.050 40 0 HKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2c1 ZINC000223686515 568556223 /nfs/dbraw/zinc/55/62/23/568556223.db2.gz ZKYYHZMAENGPGP-UHFFFAOYSA-N -1 1 405.475 5.442 40 0 HKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223916814 568562891 /nfs/dbraw/zinc/56/28/91/568562891.db2.gz JTKVXPLKMMVION-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223916917 568562887 /nfs/dbraw/zinc/56/28/87/568562887.db2.gz AAFSFLQKUGFAOC-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223921632 568562998 /nfs/dbraw/zinc/56/29/98/568562998.db2.gz VVLBISRSUOWYLB-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223921940 568563083 /nfs/dbraw/zinc/56/30/83/568563083.db2.gz URKBOMAWRGMIAR-UHFFFAOYSA-N -1 1 408.523 5.082 40 0 HKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223922162 568562994 /nfs/dbraw/zinc/56/29/94/568562994.db2.gz VOKGSMBZQXNVJP-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000223925324 568563158 /nfs/dbraw/zinc/56/31/58/568563158.db2.gz JDRMLBJSHTVPET-HSZRJFAPSA-N -1 1 422.550 5.005 40 0 HKABMM CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000223925379 568563162 /nfs/dbraw/zinc/56/31/62/568563162.db2.gz JDRMLBJSHTVPET-QHCPKHFHSA-N -1 1 422.550 5.005 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000223932890 568563471 /nfs/dbraw/zinc/56/34/71/568563471.db2.gz BAZQOVNGUBPEKR-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000223933200 568563442 /nfs/dbraw/zinc/56/34/42/568563442.db2.gz DOSGHZADMJPBBV-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000223936616 568563583 /nfs/dbraw/zinc/56/35/83/568563583.db2.gz VIMJIDLYELYOOK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000223936696 568563608 /nfs/dbraw/zinc/56/36/08/568563608.db2.gz JOQYZLDJIPPLML-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000223936774 568563562 /nfs/dbraw/zinc/56/35/62/568563562.db2.gz CAOXYNVTTTVBLF-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1Cl ZINC000223936848 568563530 /nfs/dbraw/zinc/56/35/30/568563530.db2.gz SIHPBRMDHIMIAP-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223938327 568563626 /nfs/dbraw/zinc/56/36/26/568563626.db2.gz UHCXAFDDOSZTJC-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000223938478 568563747 /nfs/dbraw/zinc/56/37/47/568563747.db2.gz YXMSKHBXNMUAJR-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000223939583 568563675 /nfs/dbraw/zinc/56/36/75/568563675.db2.gz SIRJLFYNLZSASO-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000223939882 568563683 /nfs/dbraw/zinc/56/36/83/568563683.db2.gz FKXDWKLMZIWOKM-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1C ZINC000223940162 568563743 /nfs/dbraw/zinc/56/37/43/568563743.db2.gz YZCZOQZVMCGXNR-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223940353 568563638 /nfs/dbraw/zinc/56/36/38/568563638.db2.gz VJMWMGBGOZMUNI-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223940398 568563699 /nfs/dbraw/zinc/56/36/99/568563699.db2.gz VJMWMGBGOZMUNI-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 ZINC000223941964 568563857 /nfs/dbraw/zinc/56/38/57/568563857.db2.gz HLRMLEGTXAOEQL-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223942128 568563863 /nfs/dbraw/zinc/56/38/63/568563863.db2.gz VULFQHILKSNYLN-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223942181 568563755 /nfs/dbraw/zinc/56/37/55/568563755.db2.gz VULFQHILKSNYLN-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 ZINC000223943576 568563785 /nfs/dbraw/zinc/56/37/85/568563785.db2.gz FDYUQCCDGYTXPK-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223943797 568564037 /nfs/dbraw/zinc/56/40/37/568564037.db2.gz XEEAQADFAIZBEV-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223943858 568564041 /nfs/dbraw/zinc/56/40/41/568564041.db2.gz XEEAQADFAIZBEV-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c1 ZINC000223946569 568563962 /nfs/dbraw/zinc/56/39/62/568563962.db2.gz DWKQQRMZVDNWIY-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc43)c2)c1 ZINC000223946731 568563989 /nfs/dbraw/zinc/56/39/89/568563989.db2.gz KSTYEMWHHMUWKO-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 ZINC000223947917 568563958 /nfs/dbraw/zinc/56/39/58/568563958.db2.gz YGYQRDFMZKQGJA-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223948472 568564126 /nfs/dbraw/zinc/56/41/26/568564126.db2.gz PFICNHDLANWVKH-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)c1 ZINC000223948753 568564078 /nfs/dbraw/zinc/56/40/78/568564078.db2.gz BRCFLRTYPGCDQO-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000223948909 568564194 /nfs/dbraw/zinc/56/41/94/568564194.db2.gz PCHHJVOVCNFYIM-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000223953799 568564315 /nfs/dbraw/zinc/56/43/15/568564315.db2.gz ZLTINVUYDLDBCP-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc43)c2)cc1 ZINC000223953973 568564343 /nfs/dbraw/zinc/56/43/43/568564343.db2.gz SNVQPIQYXNSJDD-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000223955029 568564399 /nfs/dbraw/zinc/56/43/99/568564399.db2.gz PBMZOWINDSFMDJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223955631 568564416 /nfs/dbraw/zinc/56/44/16/568564416.db2.gz BXSJBBVNFKJUTP-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 ZINC000223955795 568564386 /nfs/dbraw/zinc/56/43/86/568564386.db2.gz QQIQYACBOQOFMB-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000223955963 568564403 /nfs/dbraw/zinc/56/44/03/568564403.db2.gz YFBFJRRHRGOXAS-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000223964880 568564685 /nfs/dbraw/zinc/56/46/85/568564685.db2.gz RYRCIGKMJCDIIA-UHFFFAOYSA-N -1 1 412.486 5.002 40 0 HKABMM O=C(Nc1cccc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223964964 568564696 /nfs/dbraw/zinc/56/46/96/568564696.db2.gz HZITVZOATPHIIE-UHFFFAOYSA-N -1 1 420.465 5.032 40 0 HKABMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223972831 568564907 /nfs/dbraw/zinc/56/49/07/568564907.db2.gz AFBRTNBBAOOXJY-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000223972900 568565069 /nfs/dbraw/zinc/56/50/69/568565069.db2.gz KMXCIVOUHAURTQ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223973079 568565094 /nfs/dbraw/zinc/56/50/94/568565094.db2.gz YSSCGWRAYLFJMX-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000223973676 568565052 /nfs/dbraw/zinc/56/50/52/568565052.db2.gz PSHCOZQLWASHFF-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1 ZINC000223974932 568565026 /nfs/dbraw/zinc/56/50/26/568565026.db2.gz OWBGKKSSZXUNIZ-UHFFFAOYSA-N -1 1 402.269 5.149 40 0 HKABMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224002469 568565907 /nfs/dbraw/zinc/56/59/07/568565907.db2.gz IHWMGRQVJYBGOT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224002552 568565930 /nfs/dbraw/zinc/56/59/30/568565930.db2.gz XOPBUNFTOYKOKI-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224002603 568565946 /nfs/dbraw/zinc/56/59/46/568565946.db2.gz QWYOUOARFRXMKL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224018044 568566485 /nfs/dbraw/zinc/56/64/85/568566485.db2.gz MIWLVARTTCRESS-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000224028093 568566944 /nfs/dbraw/zinc/56/69/44/568566944.db2.gz QJMJECJIUXLOID-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028163 568566971 /nfs/dbraw/zinc/56/69/71/568566971.db2.gz XRGHUICRJSKREM-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224028249 568566865 /nfs/dbraw/zinc/56/68/65/568566865.db2.gz JOHUAWQZGBOULG-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccccc1Cl)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028477 568566960 /nfs/dbraw/zinc/56/69/60/568566960.db2.gz ZFGSLQIZKXYDJQ-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000224029169 568566881 /nfs/dbraw/zinc/56/68/81/568566881.db2.gz POSAZVNSFLVYLQ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccccc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224049072 568567674 /nfs/dbraw/zinc/56/76/74/568567674.db2.gz RBSDPZWJEVSODK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224049153 568567709 /nfs/dbraw/zinc/56/77/09/568567709.db2.gz KSRGWIGPFQXSTE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224049208 568567747 /nfs/dbraw/zinc/56/77/47/568567747.db2.gz IHNFVRVKAOOOCE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccccc1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224065436 568568342 /nfs/dbraw/zinc/56/83/42/568568342.db2.gz REBCYCCIJKPHGF-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2C)cc1 ZINC000224080244 568568976 /nfs/dbraw/zinc/56/89/76/568568976.db2.gz OKFQBPNQRKIWPE-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000224080484 568568926 /nfs/dbraw/zinc/56/89/26/568568926.db2.gz GLLRPQUFKVRODH-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000224080537 568568985 /nfs/dbraw/zinc/56/89/85/568568985.db2.gz GLLRPQUFKVRODH-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 ZINC000224084632 568569225 /nfs/dbraw/zinc/56/92/25/568569225.db2.gz HWALSZOPWKYIFL-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224084830 568569209 /nfs/dbraw/zinc/56/92/09/568569209.db2.gz IPAPFJYIFXGMIM-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224084871 568569214 /nfs/dbraw/zinc/56/92/14/568569214.db2.gz IPAPFJYIFXGMIM-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2C)cc1 ZINC000224090642 568569494 /nfs/dbraw/zinc/56/94/94/568569494.db2.gz SUUQIBXPKHXNMS-UHFFFAOYSA-N -1 1 416.587 5.049 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224090864 568569425 /nfs/dbraw/zinc/56/94/25/568569425.db2.gz ZECLNBLBFVSKJV-LJQANCHMSA-N -1 1 416.587 5.050 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224090919 568569512 /nfs/dbraw/zinc/56/95/12/568569512.db2.gz ZECLNBLBFVSKJV-IBGZPJMESA-N -1 1 416.587 5.050 40 0 HKABMM CC(C)(C)CC(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398238 568580254 /nfs/dbraw/zinc/58/02/54/568580254.db2.gz PNYNVUJXYGCKGI-UHFFFAOYSA-N -1 1 422.978 5.085 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398470 568580195 /nfs/dbraw/zinc/58/01/95/568580195.db2.gz IXONFURATMYHTF-MRXNPFEDSA-N -1 1 422.978 5.087 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224398515 568580186 /nfs/dbraw/zinc/58/01/86/568580186.db2.gz IXONFURATMYHTF-INIZCTEOSA-N -1 1 422.978 5.087 40 0 HKABMM CC(C)(C)CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402133 568580284 /nfs/dbraw/zinc/58/02/84/568580284.db2.gz KOCZKIYEJKJFFF-UHFFFAOYSA-N -1 1 422.978 5.085 40 0 HKABMM CCCC[C@@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402289 568580306 /nfs/dbraw/zinc/58/03/06/568580306.db2.gz WNXPZKXRTGQLDS-MRXNPFEDSA-N -1 1 422.978 5.087 40 0 HKABMM CCCC[C@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224402314 568580369 /nfs/dbraw/zinc/58/03/69/568580369.db2.gz WNXPZKXRTGQLDS-INIZCTEOSA-N -1 1 422.978 5.087 40 0 HKABMM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1ccc(Oc2ccccc2)cc1 ZINC000224481264 568582388 /nfs/dbraw/zinc/58/23/88/568582388.db2.gz NUGYBFQPXHHLJE-UHFFFAOYSA-N -1 1 415.470 6.179 40 0 HKABMM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc(Oc2ccccc2)cc1 ZINC000224481984 568582362 /nfs/dbraw/zinc/58/23/62/568582362.db2.gz VEEPOZXZYOFGHU-UHFFFAOYSA-N -1 1 401.487 5.532 40 0 HKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000224523418 568583646 /nfs/dbraw/zinc/58/36/46/568583646.db2.gz ILGQTICFWRHRPN-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Cl ZINC000224523715 568583617 /nfs/dbraw/zinc/58/36/17/568583617.db2.gz FQBFEZFDFGLWGM-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000224523920 568583623 /nfs/dbraw/zinc/58/36/23/568583623.db2.gz DZENVMPNSPKVTR-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000224523994 568583563 /nfs/dbraw/zinc/58/35/63/568583563.db2.gz QLYYLVRLJBFZHV-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000224524248 568583619 /nfs/dbraw/zinc/58/36/19/568583619.db2.gz SLOVDDAXDPXHKU-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)cc1 ZINC000224524436 568583621 /nfs/dbraw/zinc/58/36/21/568583621.db2.gz ANVARYFRHQJIFB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000224525414 568583628 /nfs/dbraw/zinc/58/36/28/568583628.db2.gz RULYLIOJILJEBI-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 ZINC000224525870 568583649 /nfs/dbraw/zinc/58/36/49/568583649.db2.gz FZTZWLLSGCJJCW-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000224529806 568583740 /nfs/dbraw/zinc/58/37/40/568583740.db2.gz JVARUHZJYKRUHX-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl ZINC000224530280 568583731 /nfs/dbraw/zinc/58/37/31/568583731.db2.gz SZZNPLHUXSEEIO-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000224530480 568583769 /nfs/dbraw/zinc/58/37/69/568583769.db2.gz ZOOQRSOYDHMQSL-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)c1 ZINC000224538493 568584111 /nfs/dbraw/zinc/58/41/11/568584111.db2.gz FVUDHWKMCBKFNP-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCCCC1 ZINC000224556079 568585020 /nfs/dbraw/zinc/58/50/20/568585020.db2.gz JVKTYDCDZSAHDE-UHFFFAOYSA-N -1 1 408.523 5.159 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(F)c1 ZINC000224955718 568605888 /nfs/dbraw/zinc/60/58/88/568605888.db2.gz AIZAVAYWZKUUFP-UHFFFAOYSA-N -1 1 420.465 5.032 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)c1 ZINC000224997236 568607866 /nfs/dbraw/zinc/60/78/66/568607866.db2.gz KMRYIMSZDCSCTE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(Cl)c1 ZINC000224998406 568608000 /nfs/dbraw/zinc/60/80/00/568608000.db2.gz WXXNTLHOZNDYKL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000225051545 568611419 /nfs/dbraw/zinc/61/14/19/568611419.db2.gz UYUQNTCEMTURST-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)ccc2c1 ZINC000225148439 568618057 /nfs/dbraw/zinc/61/80/57/568618057.db2.gz QGKRHUDOYQQJHG-UHFFFAOYSA-N -1 1 415.820 5.321 40 0 HKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1C(C)C ZINC000225150389 568618251 /nfs/dbraw/zinc/61/82/51/568618251.db2.gz UCPKUMFSVSYOBD-UHFFFAOYSA-N -1 1 409.507 5.827 40 0 HKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)oc3ccccc34)ccc2c1 ZINC000225150494 568618245 /nfs/dbraw/zinc/61/82/45/568618245.db2.gz PCFBJEFRNUVSRJ-UHFFFAOYSA-N -1 1 403.459 5.549 40 0 HKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)C(C)C ZINC000225287615 568627953 /nfs/dbraw/zinc/62/79/53/568627953.db2.gz BZHYKMJQNBWGDN-UHFFFAOYSA-N -1 1 420.600 5.236 40 0 HKABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000225597550 568655736 /nfs/dbraw/zinc/65/57/36/568655736.db2.gz DJLMICPDLTYSCM-UHFFFAOYSA-N -1 1 421.946 5.881 40 0 HKABMM Cc1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)ccc1F ZINC000225607660 568656581 /nfs/dbraw/zinc/65/65/81/568656581.db2.gz AIROYYAJWJRCEU-UHFFFAOYSA-N -1 1 421.946 5.881 40 0 HKABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)cc2sc1=O ZINC000225709687 568666575 /nfs/dbraw/zinc/66/65/75/568666575.db2.gz CXVQZFJLCZVSOG-UHFFFAOYSA-N -1 1 424.547 5.112 40 0 HKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)ccc2c1 ZINC000225875521 568682626 /nfs/dbraw/zinc/68/26/26/568682626.db2.gz UHFVRXITOUEKBB-UHFFFAOYSA-N -1 1 419.502 5.228 40 0 HKABMM O=C([O-])c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219800 569376885 /nfs/dbraw/zinc/37/68/85/569376885.db2.gz DIFLAZCKRQTNRR-HSZRJFAPSA-N -1 1 406.913 5.361 40 0 HKABMM O=C([O-])c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1Cc1ccccc1 ZINC000257219801 569376911 /nfs/dbraw/zinc/37/69/11/569376911.db2.gz DIFLAZCKRQTNRR-QHCPKHFHSA-N -1 1 406.913 5.361 40 0 HKABMM CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2[O-])O[C@H](c2ccc(F)cc2)C1 ZINC000257251612 569377259 /nfs/dbraw/zinc/37/72/59/569377259.db2.gz JRLLJXCPGUOCAJ-JQVVWYNYSA-N -1 1 405.897 5.308 40 0 HKABMM CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(Cl)c2[O-])O[C@H](c2ccc(F)cc2)C1 ZINC000257251613 569377265 /nfs/dbraw/zinc/37/72/65/569377265.db2.gz JRLLJXCPGUOCAJ-NNMXDRDESA-N -1 1 405.897 5.308 40 0 HKABMM CCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2[O-])O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257262269 569377440 /nfs/dbraw/zinc/37/74/40/569377440.db2.gz LKTDAQDOINERTM-KBBVGDAESA-N -1 1 424.379 5.096 40 0 HKABMM CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000408542916 558487863 /nfs/dbraw/zinc/48/78/63/558487863.db2.gz BEWRBTKARYGENN-UHFFFAOYSA-N -1 1 422.550 5.391 40 0 HKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408545839 558496355 /nfs/dbraw/zinc/49/63/55/558496355.db2.gz OVQCDTZAIBLHDU-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl ZINC000408546770 558497505 /nfs/dbraw/zinc/49/75/05/558497505.db2.gz VMACHPZMFLMLMB-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000408546955 558497397 /nfs/dbraw/zinc/49/73/97/558497397.db2.gz HVGMDUQEZPUEMN-UHFFFAOYSA-N -1 1 415.902 5.093 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C ZINC000408547206 558497925 /nfs/dbraw/zinc/49/79/25/558497925.db2.gz WZELYSKLSOVBCM-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1C(=O)NC1CCCCC1 ZINC000408552908 558499745 /nfs/dbraw/zinc/49/97/45/558499745.db2.gz SFGRIPYECGJALH-UHFFFAOYSA-N -1 1 422.550 5.012 40 0 HKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000408563279 557462936 /nfs/dbraw/zinc/46/29/36/557462936.db2.gz KYFIHYHQKRALKE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408564148 557471035 /nfs/dbraw/zinc/47/10/35/557471035.db2.gz SAQSQHVMWWFQCU-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000408576479 558514658 /nfs/dbraw/zinc/51/46/58/558514658.db2.gz VYYDPLVIERLZFI-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM O=C(Nc1c(Cl)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408579882 557474707 /nfs/dbraw/zinc/47/47/07/557474707.db2.gz LAQPJVPRHFIBBP-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)N1CCCCCC1 ZINC000408583542 558517131 /nfs/dbraw/zinc/51/71/31/558517131.db2.gz IFBCMEQAYFJAJN-UHFFFAOYSA-N -1 1 423.538 5.049 40 0 HKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1Cl ZINC000408591034 558529456 /nfs/dbraw/zinc/52/94/56/558529456.db2.gz HXBPKBCOYRMDFA-UHFFFAOYSA-N -1 1 419.955 5.691 40 0 HKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000408593735 558530287 /nfs/dbraw/zinc/53/02/87/558530287.db2.gz NGEYLSFSUJDKFV-UHFFFAOYSA-N -1 1 414.914 5.277 40 0 HKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000408594351 557512125 /nfs/dbraw/zinc/51/21/25/557512125.db2.gz OQNQKWHFRLOFDV-UHFFFAOYSA-N -1 1 414.232 5.212 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408601840 558538616 /nfs/dbraw/zinc/53/86/16/558538616.db2.gz BXDSUAQBAGSLDT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1NC(=O)c1ccccc1 ZINC000408602583 558538626 /nfs/dbraw/zinc/53/86/26/558538626.db2.gz DVNSQOZRJRRHHE-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408603955 557524523 /nfs/dbraw/zinc/52/45/23/557524523.db2.gz HPPMTPPGDASNGX-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408608145 557532008 /nfs/dbraw/zinc/53/20/08/557532008.db2.gz OPCZVKHVSYAEHL-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1Cl ZINC000408610326 558535490 /nfs/dbraw/zinc/53/54/90/558535490.db2.gz SWHVMBXRXYTIEA-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408610783 558535514 /nfs/dbraw/zinc/53/55/14/558535514.db2.gz UKEXKIQCXMAKDI-UHFFFAOYSA-N -1 1 422.550 5.173 40 0 HKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408610857 558535654 /nfs/dbraw/zinc/53/56/54/558535654.db2.gz USLFRDAUZZMATM-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1NC(=O)c1ccccc1 ZINC000408611866 558537470 /nfs/dbraw/zinc/53/74/70/558537470.db2.gz XEIVPJXGMKCZMR-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408612150 557530190 /nfs/dbraw/zinc/53/01/90/557530190.db2.gz XRDAVZOOCADDRF-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408621086 558544414 /nfs/dbraw/zinc/54/44/14/558544414.db2.gz OAOUIJNYTSKVDP-UHFFFAOYSA-N -1 1 413.608 5.677 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 ZINC000408621507 558544612 /nfs/dbraw/zinc/54/46/12/558544612.db2.gz SIQWARHIFVJKOI-UHFFFAOYSA-N -1 1 420.490 5.103 40 0 HKABMM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 ZINC000408626233 557558836 /nfs/dbraw/zinc/55/88/36/557558836.db2.gz VDKVXKNYIZMNSR-UHFFFAOYSA-N -1 1 417.574 6.108 40 0 HKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2Cl)C(=O)[O-])n1 ZINC000408631608 558542590 /nfs/dbraw/zinc/54/25/90/558542590.db2.gz KSBFRVZUGMXUNR-NVNXTCNLSA-N -1 1 422.293 5.005 40 0 HKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000408632123 557576324 /nfs/dbraw/zinc/57/63/24/557576324.db2.gz NOXCPFANONDILT-NVNXTCNLSA-N -1 1 422.293 5.005 40 0 HKABMM COc1ccc(Cl)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408632987 558547372 /nfs/dbraw/zinc/54/73/72/558547372.db2.gz INGHCDKDWUTFDN-DHDCSXOGSA-N -1 1 422.293 5.005 40 0 HKABMM COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1Cl ZINC000408633348 558547656 /nfs/dbraw/zinc/54/76/56/558547656.db2.gz KBGGWPWDFCBBCK-OQLLNIDSSA-N -1 1 422.293 5.005 40 0 HKABMM CCn1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc21 ZINC000408633650 558547854 /nfs/dbraw/zinc/54/78/54/558547854.db2.gz LFDXFKSZJDDGEJ-WQRHYEAKSA-N -1 1 424.913 5.318 40 0 HKABMM Cc1c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c2ccccc2n1C ZINC000408635355 557599547 /nfs/dbraw/zinc/59/95/47/557599547.db2.gz ZTQWKKOSOIHRJJ-WQRHYEAKSA-N -1 1 424.913 5.143 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(C)C ZINC000408681288 558562470 /nfs/dbraw/zinc/56/24/70/558562470.db2.gz RKZSDNKJEVRTNR-UHFFFAOYSA-N -1 1 418.740 5.035 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1F ZINC000408694693 558567523 /nfs/dbraw/zinc/56/75/23/558567523.db2.gz LUMKPSZOBZVYHU-UHFFFAOYSA-N -1 1 417.527 5.236 40 0 HKABMM COc1ccc(OC)c(COc2ccc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)cc2)c1 ZINC000408733812 558594314 /nfs/dbraw/zinc/59/43/14/558594314.db2.gz AGVBRILNPNRHBM-UHFFFAOYSA-N -1 1 422.506 5.277 40 0 HKABMM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1cccc(C)c1 ZINC000408734708 558593787 /nfs/dbraw/zinc/59/37/87/558593787.db2.gz IQWIULXPDDOIGU-UHFFFAOYSA-N -1 1 420.534 5.967 40 0 HKABMM Cc1sc2nc(-c3ccc(OCc4cccc5ccccc54)cc3)[n-]c(=O)c2c1C ZINC000408734731 558593769 /nfs/dbraw/zinc/59/37/69/558593769.db2.gz IXINEQMHHJBNAL-UHFFFAOYSA-N -1 1 412.514 6.413 40 0 HKABMM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000408734754 558593877 /nfs/dbraw/zinc/59/38/77/558593877.db2.gz JDWFYBIWEZJSSN-UHFFFAOYSA-N -1 1 424.497 5.798 40 0 HKABMM COc1ccc(COc2ccc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)cc2OC)cc1 ZINC000408734782 558593870 /nfs/dbraw/zinc/59/38/70/558593870.db2.gz JTFINZJKUYXSDF-UHFFFAOYSA-N -1 1 422.506 5.277 40 0 HKABMM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000408734822 558593843 /nfs/dbraw/zinc/59/38/43/558593843.db2.gz KJHPDROLENAZAK-UHFFFAOYSA-N -1 1 406.507 5.658 40 0 HKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000408735075 558593835 /nfs/dbraw/zinc/59/38/35/558593835.db2.gz NOXZPUKODWRTAL-UHFFFAOYSA-N -1 1 410.470 5.407 40 0 HKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1cccc(C)c1 ZINC000408735258 558594108 /nfs/dbraw/zinc/59/41/08/558594108.db2.gz PAELYNJTCCFTPK-UHFFFAOYSA-N -1 1 406.507 5.577 40 0 HKABMM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000408735800 558595925 /nfs/dbraw/zinc/59/59/25/558595925.db2.gz XXBFRMIAJSGIDU-UHFFFAOYSA-N -1 1 424.497 5.798 40 0 HKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000408735830 557802083 /nfs/dbraw/zinc/80/20/83/557802083.db2.gz YEIIEDUUVLVLOQ-UHFFFAOYSA-N -1 1 410.470 5.407 40 0 HKABMM COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2)cc1 ZINC000408735956 558594581 /nfs/dbraw/zinc/59/45/81/558594581.db2.gz ZYJNOENIWYJTMJ-UHFFFAOYSA-N -1 1 418.518 5.530 40 0 HKABMM O=C1[N-]C(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739407 558598108 /nfs/dbraw/zinc/59/81/08/558598108.db2.gz BOCYPBJVXBOCHO-JWGURIENSA-N -1 1 421.525 5.157 40 0 HKABMM O=C1[N-]C(=O)C(=Cc2cn(CCSc3ccc(Cl)cc3)c3ccccc23)S1 ZINC000408776787 560639179 /nfs/dbraw/zinc/63/91/79/560639179.db2.gz QSLFQRUQWMGULA-WOJGMQOQSA-N -1 1 414.939 5.411 40 0 HKABMM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)S1 ZINC000408812569 558649442 /nfs/dbraw/zinc/64/94/42/558649442.db2.gz NKDRRBNSZVWGGO-HAVVHWLPSA-N -1 1 422.509 6.135 40 0 HKABMM Cc1cc(C=C2SC(=O)[N-]C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408848618 560646944 /nfs/dbraw/zinc/64/69/44/560646944.db2.gz RXUSURVZXRAIGX-FRKPEAEDSA-N -1 1 408.306 5.513 40 0 HKABMM Cc1cc(C=C2SC(=O)[N-]C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408850109 560647064 /nfs/dbraw/zinc/64/70/64/560647064.db2.gz GDNPZORGPWHGRJ-LZYBPNLTSA-N -1 1 408.306 5.513 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 ZINC000408905972 560651893 /nfs/dbraw/zinc/65/18/93/560651893.db2.gz BNHQKZWZBHTZHT-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408906531 560652026 /nfs/dbraw/zinc/65/20/26/560652026.db2.gz GRWCHDSGZIMZKW-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000408906864 558728360 /nfs/dbraw/zinc/72/83/60/558728360.db2.gz JOVFREHIIIUJDJ-UHFFFAOYSA-N -1 1 422.550 5.346 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000408907793 560651945 /nfs/dbraw/zinc/65/19/45/560651945.db2.gz SBFVPWQQOAELIM-UHFFFAOYSA-N -1 1 421.305 5.047 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000408914881 560653902 /nfs/dbraw/zinc/65/39/02/560653902.db2.gz YJVNBMYMRLQPDR-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000408915203 558734471 /nfs/dbraw/zinc/73/44/71/558734471.db2.gz YMOQFSSSKRVPNT-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000408922625 560654733 /nfs/dbraw/zinc/65/47/33/560654733.db2.gz PQJJHNFKVXFSCD-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(F)cc1 ZINC000408924005 558748868 /nfs/dbraw/zinc/74/88/68/558748868.db2.gz IZAZYEGHPNHSON-UHFFFAOYSA-N -1 1 420.465 5.032 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000408926802 560654831 /nfs/dbraw/zinc/65/48/31/560654831.db2.gz WNGFDPQGFQMBDH-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CC(C)(C)c1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(C(C)(C)C)c1O ZINC000408986678 560661719 /nfs/dbraw/zinc/66/17/19/560661719.db2.gz SKIKDNPJWNANJY-UHFFFAOYSA-N -1 1 424.610 6.633 40 0 HKABMM CC(C)(C)c1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc(C(C)(C)C)c1O ZINC000408987017 560661774 /nfs/dbraw/zinc/66/17/74/560661774.db2.gz UPLNVFYSQOVHMQ-UHFFFAOYSA-N -1 1 410.583 6.243 40 0 HKABMM Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)o3)[n-]c(=O)c2c1C ZINC000408989878 558842348 /nfs/dbraw/zinc/84/23/48/558842348.db2.gz JFGIHVWPUHFWAA-UHFFFAOYSA-N -1 1 411.533 6.035 40 0 HKABMM COc1cc(Cl)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1OC ZINC000408990545 560662172 /nfs/dbraw/zinc/66/21/72/560662172.db2.gz NYDBEXGSHMWOIP-UHFFFAOYSA-N -1 1 404.919 5.394 40 0 HKABMM Cc1cccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)cc2)c1 ZINC000408990931 558848376 /nfs/dbraw/zinc/84/83/76/558848376.db2.gz PBYAWCQQLRZUPW-UHFFFAOYSA-N -1 1 416.546 6.220 40 0 HKABMM CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1OC ZINC000408991692 558851920 /nfs/dbraw/zinc/85/19/20/558851920.db2.gz QXUFOKSNDNMMKQ-UHFFFAOYSA-N -1 1 412.555 5.910 40 0 HKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl ZINC000409135504 558863321 /nfs/dbraw/zinc/86/33/21/558863321.db2.gz RQOXBKOHPALZKW-UHFFFAOYSA-N -1 1 424.305 5.595 40 0 HKABMM O=C1[N-]C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)S1 ZINC000409143645 560684245 /nfs/dbraw/zinc/68/42/45/560684245.db2.gz DDOTXVFKLKFQBV-UNOMPAQXSA-N -1 1 412.898 5.088 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1cccc(Br)c1 ZINC000409156442 560685420 /nfs/dbraw/zinc/68/54/20/560685420.db2.gz NTEZPJMIAGYBDE-OVCLIPMQSA-N -1 1 424.703 5.045 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409193765 560689854 /nfs/dbraw/zinc/68/98/54/560689854.db2.gz LNNCTFLVQORKMN-RIYZIHGNSA-N -1 1 410.676 5.049 40 0 HKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409208090 559019121 /nfs/dbraw/zinc/01/91/21/559019121.db2.gz AUDCBQUXKCSEGX-VGOFMYFVSA-N -1 1 410.676 5.049 40 0 HKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1cccc2ccccc21 ZINC000409248375 559050385 /nfs/dbraw/zinc/05/03/85/559050385.db2.gz FVQWVGSXMMKQGU-UHFFFAOYSA-N -1 1 422.440 5.383 40 0 HKABMM COc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1[O-] ZINC000409257601 559050588 /nfs/dbraw/zinc/05/05/88/559050588.db2.gz RBBIPHCHIJRHTO-UHFFFAOYSA-N -1 1 415.106 5.203 40 0 HKABMM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1cccc2ccccc21 ZINC000409261614 559049403 /nfs/dbraw/zinc/04/94/03/559049403.db2.gz FGJTVSJXVQXMCT-UHFFFAOYSA-N -1 1 422.484 6.133 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000409380238 559070697 /nfs/dbraw/zinc/07/06/97/559070697.db2.gz AARWLPLIEZWHTJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000409380289 559070672 /nfs/dbraw/zinc/07/06/72/559070672.db2.gz BEIQCRWSMNKVEG-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000409380324 559070642 /nfs/dbraw/zinc/07/06/42/559070642.db2.gz CMJYYWWKLWXXMM-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000409380486 559070755 /nfs/dbraw/zinc/07/07/55/559070755.db2.gz FLSPJKKXFAKARH-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c(C)c1 ZINC000409380501 559070774 /nfs/dbraw/zinc/07/07/74/559070774.db2.gz FTDUNDSORTZGJK-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000409380796 559070791 /nfs/dbraw/zinc/07/07/91/559070791.db2.gz IFLVVGGPRSMKLU-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1 ZINC000409381806 560717252 /nfs/dbraw/zinc/71/72/52/560717252.db2.gz NPLGCGIZXMMDFT-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 ZINC000409382292 559071055 /nfs/dbraw/zinc/07/10/55/559071055.db2.gz QYXLFFHKJPHCPA-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 ZINC000409382575 560717389 /nfs/dbraw/zinc/71/73/89/560717389.db2.gz UGEFDTNYBLHJOJ-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 ZINC000409382641 560717317 /nfs/dbraw/zinc/71/73/17/560717317.db2.gz WHMJAQJSNLGPSS-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000409382642 560717342 /nfs/dbraw/zinc/71/73/42/560717342.db2.gz WIIDNQHIHRSFMK-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1C ZINC000409382899 560717497 /nfs/dbraw/zinc/71/74/97/560717497.db2.gz XIAJCEMIDXRIME-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c1 ZINC000409382916 560717462 /nfs/dbraw/zinc/71/74/62/560717462.db2.gz XUCPCAQPKZCDPV-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 ZINC000409383704 559071200 /nfs/dbraw/zinc/07/12/00/559071200.db2.gz AQSWELKHAORVNJ-UHFFFAOYSA-N -1 1 414.914 5.010 40 0 HKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1C ZINC000409383707 559071236 /nfs/dbraw/zinc/07/12/36/559071236.db2.gz BBDAHQRSDKCZQJ-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1C ZINC000409383776 560717647 /nfs/dbraw/zinc/71/76/47/560717647.db2.gz GLUCXYOQRFAEPD-UHFFFAOYSA-N -1 1 422.550 5.282 40 0 HKABMM CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000409383781 559071261 /nfs/dbraw/zinc/07/12/61/559071261.db2.gz GXMQCBRLLYCXPK-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 ZINC000409383931 559071258 /nfs/dbraw/zinc/07/12/58/559071258.db2.gz POKZYNPCXWISPS-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc(C(=O)Nc2cccc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409383959 560717643 /nfs/dbraw/zinc/71/76/43/560717643.db2.gz RFUPZMNWDWGXKF-UHFFFAOYSA-N -1 1 416.502 5.201 40 0 HKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 ZINC000409407248 560722441 /nfs/dbraw/zinc/72/24/41/560722441.db2.gz DWZSJOJUYQTXFN-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409410479 559075469 /nfs/dbraw/zinc/07/54/69/559075469.db2.gz NGSFRAPNOACRQB-UHFFFAOYSA-N -1 1 408.523 5.172 40 0 HKABMM CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000409410878 559075481 /nfs/dbraw/zinc/07/54/81/559075481.db2.gz RSPLNWPSGDYKIA-UHFFFAOYSA-N -1 1 422.550 5.227 40 0 HKABMM Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409411163 560721506 /nfs/dbraw/zinc/72/15/06/560721506.db2.gz DUAUNXWMAAQKPC-UHFFFAOYSA-N -1 1 422.550 5.480 40 0 HKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000575410970 569024981 /nfs/dbraw/zinc/02/49/81/569024981.db2.gz QUVPRKCBRZHPPE-UHFFFAOYSA-N -1 1 414.505 5.888 40 0 HKABMM