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(=O)C=C([O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 ZINC000408532114 231053141 /nfs/dbraw/zinc/05/31/41/231053141.db2.gz NNYPRIHUZRYFEX-UHFFFAOYSA-N -1 1 395.440 3.042 40 0 GGABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1C ZINC000408606164 231077833 /nfs/dbraw/zinc/07/78/33/231077833.db2.gz NYGXQHKTIHKSFF-UHFFFAOYSA-N -1 1 396.896 3.134 40 0 GGABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C ZINC000408610176 231078829 /nfs/dbraw/zinc/07/88/29/231078829.db2.gz VDMDTCYRWYZUQN-UHFFFAOYSA-N -1 1 396.896 3.134 40 0 GGABMM COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408624584 231086132 /nfs/dbraw/zinc/08/61/32/231086132.db2.gz SXCLJMLNIRGIAU-OAHLLOKOSA-N -1 1 390.505 3.177 40 0 GGABMM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)NCc1cccs1 ZINC000409129397 231168516 /nfs/dbraw/zinc/16/85/16/231168516.db2.gz GNWUHBBQIXFTHF-PXNMLYILSA-N -1 1 397.481 3.343 40 0 GGABMM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc(Cl)cc1 ZINC000003849234 204021860 /nfs/dbraw/zinc/02/18/60/204021860.db2.gz GNNYJOMBKVEREX-XJKSGUPXSA-N -1 1 389.194 3.121 40 0 GGABMM O=C([O-])c1ccc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000006402960 204177674 /nfs/dbraw/zinc/17/76/74/204177674.db2.gz UFBNCCNOJJUNGA-UHFFFAOYSA-N -1 1 378.413 3.099 40 0 GGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)ccc21 ZINC000006729093 204196070 /nfs/dbraw/zinc/19/60/70/204196070.db2.gz BCQIQYIGNXKXEW-UHFFFAOYSA-N -1 1 394.880 3.449 40 0 GGABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000012200087 204383014 /nfs/dbraw/zinc/38/30/14/204383014.db2.gz JQYQPTWOGGGLJG-UHFFFAOYSA-N -1 1 398.362 3.160 40 0 GGABMM CCCC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019501718 204648413 /nfs/dbraw/zinc/64/84/13/204648413.db2.gz CUOWHEVQOJJDPF-SFHVURJKSA-N -1 1 380.423 3.171 40 0 GGABMM COc1ccc(-n2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3n2)cc1 ZINC000026124051 204839352 /nfs/dbraw/zinc/83/93/52/204839352.db2.gz MNVBQEJXWQJEHY-UHFFFAOYSA-N -1 1 380.429 3.230 40 0 GGABMM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(COc3ccccc3)c2)c1 ZINC000072264757 205030109 /nfs/dbraw/zinc/03/01/09/205030109.db2.gz WZZAKBAJBDEFEP-UHFFFAOYSA-N -1 1 382.441 3.165 40 0 GGABMM C[C@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccccc2)c(=O)[n-]1 ZINC000040385597 205062363 /nfs/dbraw/zinc/06/23/63/205062363.db2.gz DBWKMIOILTUOML-LBPRGKRZSA-N -1 1 377.473 3.222 40 0 GGABMM Nc1nc(N2CCCC2)[n-]c(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385669 205063132 /nfs/dbraw/zinc/06/31/32/205063132.db2.gz OWMDBTNAWPOMGZ-UHFFFAOYSA-N -1 1 384.292 3.047 40 0 GGABMM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(F)(F)F)CCCC2)no1 ZINC000041628998 205079691 /nfs/dbraw/zinc/07/96/91/205079691.db2.gz AVLGOAUJTDYOME-UHFFFAOYSA-N -1 1 375.372 3.145 40 0 GGABMM COc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000041153711 205078014 /nfs/dbraw/zinc/07/80/14/205078014.db2.gz QXYDJBWVUBWKES-UHFFFAOYSA-N -1 1 393.852 3.018 40 0 GGABMM CC(C)Cc1csc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)[n-]c(=O)c12 ZINC000054752729 205140992 /nfs/dbraw/zinc/14/09/92/205140992.db2.gz AVIQZJNMVXCKPW-UHFFFAOYSA-N -1 1 391.518 3.100 40 0 GGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000055555716 205149115 /nfs/dbraw/zinc/14/91/15/205149115.db2.gz VYVGBIHHJJEBRI-UHFFFAOYSA-N -1 1 386.395 3.185 40 0 GGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000055548509 205149216 /nfs/dbraw/zinc/14/92/16/205149216.db2.gz PABXFODJSBOECH-UHFFFAOYSA-N -1 1 386.395 3.185 40 0 GGABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000057121390 205155296 /nfs/dbraw/zinc/15/52/96/205155296.db2.gz BNLXZLKSBVDDOL-ZDUSSCGKSA-N -1 1 392.477 3.033 40 0 GGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000064946785 205201944 /nfs/dbraw/zinc/20/19/44/205201944.db2.gz VAEUAZLBLWPHIG-UHFFFAOYSA-N -1 1 399.291 3.163 40 0 GGABMM Cc1ccc(C[C@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccn2)cc1 ZINC000095397664 205457283 /nfs/dbraw/zinc/45/72/83/205457283.db2.gz LGZDRCGLYZRXLR-FQEVSTJZSA-N -1 1 384.439 3.340 40 0 GGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000004001630 205816942 /nfs/dbraw/zinc/81/69/42/205816942.db2.gz ISOLVWQANYTBTR-UHFFFAOYSA-N -1 1 384.379 3.415 40 0 GGABMM O=C(Cc1sc(NC2CC2)nc1[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000007987599 205793170 /nfs/dbraw/zinc/79/31/70/205793170.db2.gz ZWQAGZONFLQIEK-NSHDSACASA-N -1 1 391.802 3.437 40 0 GGABMM COC(=O)c1ccc(NC(C)C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223417170 206000206 /nfs/dbraw/zinc/00/02/06/206000206.db2.gz LJFBIBBLZYWVSH-UHFFFAOYSA-N -1 1 378.450 3.103 40 0 GGABMM O=S(=O)(Cc1ccccc1F)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223650475 206004481 /nfs/dbraw/zinc/00/44/81/206004481.db2.gz VRGGMBSGTHDIMA-UHFFFAOYSA-N -1 1 381.816 3.149 40 0 GGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223665150 206004796 /nfs/dbraw/zinc/00/47/96/206004796.db2.gz NGBGSAGSPXEROU-UHFFFAOYSA-N -1 1 375.446 3.378 40 0 GGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)ccc1Cl ZINC000223793744 206006095 /nfs/dbraw/zinc/00/60/95/206006095.db2.gz OIERWANMDGCLJR-UHFFFAOYSA-N -1 1 397.836 3.104 40 0 GGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000223832146 206007174 /nfs/dbraw/zinc/00/71/74/206007174.db2.gz PPAAHUBOBGNJSR-UHFFFAOYSA-N -1 1 397.836 3.104 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c(C)c1 ZINC000223837694 206007354 /nfs/dbraw/zinc/00/73/54/206007354.db2.gz FUEMNCFIQRTTIH-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000223917868 206009433 /nfs/dbraw/zinc/00/94/33/206009433.db2.gz IAUZVMMNUQUQPA-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1NC(C)=O ZINC000224027353 206010352 /nfs/dbraw/zinc/01/03/52/206010352.db2.gz AQIFCLPWFVEZFE-UHFFFAOYSA-N -1 1 393.490 3.126 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(Cl)c2)cc1 ZINC000224020753 206010930 /nfs/dbraw/zinc/01/09/30/206010930.db2.gz ALOAJMXBZOVYHE-UHFFFAOYSA-N -1 1 382.869 3.288 40 0 GGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)ccc1OC ZINC000224222401 206015848 /nfs/dbraw/zinc/01/58/48/206015848.db2.gz XGLVFPCPTCLWCF-UHFFFAOYSA-N -1 1 396.468 3.107 40 0 GGABMM CN(C)c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)cc1 ZINC000026531611 206001853 /nfs/dbraw/zinc/00/18/53/206001853.db2.gz GKBSKDXCWARDRL-UHFFFAOYSA-N -1 1 390.690 3.364 40 0 GGABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 ZINC000225610729 206060767 /nfs/dbraw/zinc/06/07/67/206060767.db2.gz YZMVUJGDZKNBAU-UHFFFAOYSA-N -1 1 391.424 3.061 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)cc2sc1=O ZINC000225690965 206067290 /nfs/dbraw/zinc/06/72/90/206067290.db2.gz RYQIQBVGGAAXBW-UHFFFAOYSA-N -1 1 376.459 3.086 40 0 GGABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000032644249 206090672 /nfs/dbraw/zinc/09/06/72/206090672.db2.gz JYTBWCXEYWFMKQ-UHFFFAOYSA-N -1 1 375.233 3.279 40 0 GGABMM CCCC[C@H]1Oc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2NC1=O ZINC000252488503 206140085 /nfs/dbraw/zinc/14/00/85/206140085.db2.gz ITHYFDHSMTXJKL-GOSISDBHSA-N -1 1 390.461 3.386 40 0 GGABMM CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000248198714 206135309 /nfs/dbraw/zinc/13/53/09/206135309.db2.gz SPFIMOQUDAMQRY-ZJBJCVSYSA-N -1 1 386.492 3.420 40 0 GGABMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1 ZINC000012809207 221234678 /nfs/dbraw/zinc/23/46/78/221234678.db2.gz ZHHCSEHROQNGFY-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM COc1cccc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408613030 533400718 /nfs/dbraw/zinc/40/07/18/533400718.db2.gz WMUDKYPEDIMVDH-OAQYLSRUSA-N -1 1 396.487 3.368 40 0 GGABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 ZINC000408596252 533620300 /nfs/dbraw/zinc/62/03/00/533620300.db2.gz RWEGXEXGKJWTEE-UHFFFAOYSA-N -1 1 377.466 3.274 40 0 GGABMM O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408721452 534851572 /nfs/dbraw/zinc/85/15/72/534851572.db2.gz IGFQXCCBCNVUQS-UHFFFAOYSA-N -1 1 378.409 3.288 40 0 GGABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 ZINC000408559627 527369309 /nfs/dbraw/zinc/36/93/09/527369309.db2.gz AHULEIFOPCDFAD-UHFFFAOYSA-N -1 1 387.461 3.318 40 0 GGABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000408597411 528047130 /nfs/dbraw/zinc/04/71/30/528047130.db2.gz YXWODCHZTNFCDE-UHFFFAOYSA-N -1 1 377.466 3.370 40 0 GGABMM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408591317 528406363 /nfs/dbraw/zinc/40/63/63/528406363.db2.gz KZULHEAXBYWSIZ-UHFFFAOYSA-N -1 1 382.869 3.046 40 0 GGABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1OCC ZINC000408585343 529107813 /nfs/dbraw/zinc/10/78/13/529107813.db2.gz FEDMWVAJEWBPQW-UHFFFAOYSA-N -1 1 394.449 3.463 40 0 GGABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1 ZINC000408585300 529113215 /nfs/dbraw/zinc/11/32/15/529113215.db2.gz CSXBPVOAJJKLEQ-UHFFFAOYSA-N -1 1 377.422 3.014 40 0 GGABMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003300934 564195189 /nfs/dbraw/zinc/19/51/89/564195189.db2.gz NCWOWIHORIAEJZ-UHFFFAOYSA-N -1 1 398.278 3.356 40 0 GGABMM Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)[N-]c3ccon3)c2)c1 ZINC000006681225 564226218 /nfs/dbraw/zinc/22/62/18/564226218.db2.gz GCLMDLJISBMJNV-UHFFFAOYSA-N -1 1 377.447 3.122 40 0 GGABMM COc1cc(Cl)c(C)cc1NC(=O)Cc1sc(N2CCCC2)nc1[O-] ZINC000022195224 564314987 /nfs/dbraw/zinc/31/49/87/564314987.db2.gz MVYKSZCAZHJOQV-CQSZACIVSA-N -1 1 381.885 3.079 40 0 GGABMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000022514554 564317061 /nfs/dbraw/zinc/31/70/61/564317061.db2.gz JBCIFQRTZRFDKL-UHFFFAOYSA-N -1 1 397.294 3.260 40 0 GGABMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc(Br)ccc3C)cc12 ZINC000022959387 564320843 /nfs/dbraw/zinc/32/08/43/564320843.db2.gz CGGLEKLIZJUWLB-UHFFFAOYSA-N -1 1 395.282 3.148 40 0 GGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000024257033 564329958 /nfs/dbraw/zinc/32/99/58/564329958.db2.gz QYTGXYQSOMTJRA-UHFFFAOYSA-N -1 1 375.324 3.173 40 0 GGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000028195731 564360550 /nfs/dbraw/zinc/36/05/50/564360550.db2.gz SQCFCSOMEYUOJS-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM CCCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1OC ZINC000033629739 564413308 /nfs/dbraw/zinc/41/33/08/564413308.db2.gz XNWWDCMRJHILPB-UHFFFAOYSA-N -1 1 399.266 3.001 40 0 GGABMM CCCOc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1OC ZINC000033629739 564413311 /nfs/dbraw/zinc/41/33/11/564413311.db2.gz XNWWDCMRJHILPB-UHFFFAOYSA-N -1 1 399.266 3.001 40 0 GGABMM CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC ZINC000033629739 564413313 /nfs/dbraw/zinc/41/33/13/564413313.db2.gz XNWWDCMRJHILPB-UHFFFAOYSA-N -1 1 399.266 3.001 40 0 GGABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000055547629 564623449 /nfs/dbraw/zinc/62/34/49/564623449.db2.gz AQAADQMDPUROTM-UHFFFAOYSA-N -1 1 390.244 3.346 40 0 GGABMM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000058004644 564678170 /nfs/dbraw/zinc/67/81/70/564678170.db2.gz FHZZHMLQIOQIHM-UHFFFAOYSA-N -1 1 399.285 3.238 40 0 GGABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1C ZINC000107756495 565002252 /nfs/dbraw/zinc/00/22/52/565002252.db2.gz SFIYWIOOTQRUSP-UHFFFAOYSA-N -1 1 381.475 3.070 40 0 GGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C ZINC000202368258 565895097 /nfs/dbraw/zinc/89/50/97/565895097.db2.gz CUIYLBJKTSAKAK-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3)cc2Br)s1 ZINC000226314606 565919918 /nfs/dbraw/zinc/91/99/18/565919918.db2.gz IXZIRBSQZONYOX-UHFFFAOYSA-N -1 1 384.280 3.442 40 0 GGABMM Cc1cc(OCCO)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000048286646 570231638 /nfs/dbraw/zinc/23/16/38/570231638.db2.gz DOIDWPCJWLLAGS-UHFFFAOYSA-N -1 1 391.367 3.066 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc2oc1=O ZINC000019936785 570231912 /nfs/dbraw/zinc/23/19/12/570231912.db2.gz BPCDYWXRXAMDOO-UHFFFAOYSA-N -1 1 386.351 3.434 40 0 GGABMM Cc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC000048382969 570249970 /nfs/dbraw/zinc/24/99/70/570249970.db2.gz GPSKXUNFRWIVGG-UHFFFAOYSA-N -1 1 385.445 3.047 40 0 GGABMM O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)c1ccccc1-2 ZINC000001688061 570267294 /nfs/dbraw/zinc/26/72/94/570267294.db2.gz XYHFOCVVLDYSPO-IWAYRVGRSA-N -1 1 390.317 3.014 40 0 GGABMM O=C(C1=NO[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc(Cl)cc1 ZINC000100354706 570271282 /nfs/dbraw/zinc/27/12/82/570271282.db2.gz GNNYJOMBKVEREX-CZUORRHYSA-N -1 1 389.194 3.121 40 0 GGABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)c1 ZINC000006141995 570276758 /nfs/dbraw/zinc/27/67/58/570276758.db2.gz UTLRFZNWSLSOSP-GOSISDBHSA-N -1 1 388.489 3.013 40 0 GGABMM O=C(C1=NNC(=C([O-])c2ccc(Cl)cc2)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000100921466 570279185 /nfs/dbraw/zinc/27/91/85/570279185.db2.gz QHVWGOPVXGYDST-SQUXUUBPSA-N -1 1 384.863 3.205 40 0 GGABMM Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000020765186 570282962 /nfs/dbraw/zinc/28/29/62/570282962.db2.gz NNFPAWJQTFESBO-UHFFFAOYSA-N -1 1 382.445 3.138 40 0 GGABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000021873559 570315922 /nfs/dbraw/zinc/31/59/22/570315922.db2.gz ZNWDZKGZJRLWMA-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl ZINC000022522575 570319827 /nfs/dbraw/zinc/31/98/27/570319827.db2.gz PZWKIYQMMNBYBQ-UHFFFAOYSA-N -1 1 399.852 3.335 40 0 GGABMM Cc1c(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)oc2cc(O)cc([O-])c12 ZINC000012897295 570378180 /nfs/dbraw/zinc/37/81/80/570378180.db2.gz BLGGYZYVZPSTOV-MCMMXHMISA-N -1 1 385.460 3.482 40 0 GGABMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000025509952 570414996 /nfs/dbraw/zinc/41/49/96/570414996.db2.gz WREPCJPSISAYLH-UHFFFAOYSA-N -1 1 393.314 3.266 40 0 GGABMM 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/nfs/dbraw/zinc/46/52/76/570465276.db2.gz UHHJXIKVJZLFPM-UHFFFAOYSA-N -1 1 392.477 3.129 40 0 GGABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N(C)C)cc3)ccc2c1 ZINC000223678913 570478442 /nfs/dbraw/zinc/47/84/42/570478442.db2.gz KUPPFPQYVJPCPA-UHFFFAOYSA-N -1 1 384.457 3.351 40 0 GGABMM Cc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)[n-]c(=O)c1C ZINC000004943252 570645271 /nfs/dbraw/zinc/64/52/71/570645271.db2.gz LHLVKERFBSTPTP-UHFFFAOYSA-N -1 1 390.465 3.380 40 0 GGABMM O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)[N-]C(=O)c1ccco1 ZINC000012719970 570705913 /nfs/dbraw/zinc/70/59/13/570705913.db2.gz JJDHEFKFAFWEIW-UHFFFAOYSA-N -1 1 397.358 3.111 40 0 GGABMM C[C@@]1(O)Cc2[n-][nH]c(=O)c2[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000015081094 570725141 /nfs/dbraw/zinc/72/51/41/570725141.db2.gz YFMAICZYSYQHBQ-YRISNDGFSA-N -1 1 397.862 3.463 40 0 GGABMM O=C(NC[C@@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005582785 570734034 /nfs/dbraw/zinc/73/40/34/570734034.db2.gz LUCFJXYJVKQSHA-INIZCTEOSA-N -1 1 394.880 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ZINC000017076775 570916426 /nfs/dbraw/zinc/91/64/26/570916426.db2.gz LPTYUNTVSQPHJL-UHFFFAOYSA-N -1 1 375.428 3.223 40 0 GGABMM COc1ccc(-n2nc3[nH]c(C)c(Cc4ccc(C)cc4)c(=O)c3c2[O-])cc1 ZINC000017076775 570916428 /nfs/dbraw/zinc/91/64/28/570916428.db2.gz LPTYUNTVSQPHJL-UHFFFAOYSA-N -1 1 375.428 3.223 40 0 GGABMM COc1ccc(-n2nc3[nH]c(C)c(Cc4ccc(C)cc4)c([O-])c-3c2=O)cc1 ZINC000017076775 570916430 /nfs/dbraw/zinc/91/64/30/570916430.db2.gz LPTYUNTVSQPHJL-UHFFFAOYSA-N -1 1 375.428 3.223 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)C(C)C)c2)cc1 ZINC000017056148 570925673 /nfs/dbraw/zinc/92/56/73/570925673.db2.gz LCZJOTICXFFTCB-AWEZNQCLSA-N -1 1 376.478 3.270 40 0 GGABMM Cc1c(CN2CCc3c(nc(-c4ccccn4)[n-]c3=O)C2)c2ccc(C)cc2n1C ZINC000019221438 570963150 /nfs/dbraw/zinc/96/31/50/570963150.db2.gz BAZXRTSUVLKDQN-UHFFFAOYSA-N -1 1 399.498 3.499 40 0 GGABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 ZINC000019369409 570980676 /nfs/dbraw/zinc/98/06/76/570980676.db2.gz 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C#CCOc1c(Cl)cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1OCC ZINC000006537307 1398557903 /nfs/dbraw/zinc/55/79/03/1398557903.db2.gz KTADEFVTWKXHKN-ZROIWOOFSA-N -1 1 393.852 3.395 40 0 GGABMM C#CCOc1c(Cl)cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OCC ZINC000006537307 1398557905 /nfs/dbraw/zinc/55/79/05/1398557905.db2.gz KTADEFVTWKXHKN-ZROIWOOFSA-N -1 1 393.852 3.395 40 0 GGABMM O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)c1 ZINC000008477181 1398833542 /nfs/dbraw/zinc/83/35/42/1398833542.db2.gz KYCJYFNNCXYYCZ-WJDWOHSUSA-N -1 1 394.383 3.049 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 ZINC000008560306 1398840035 /nfs/dbraw/zinc/84/00/35/1398840035.db2.gz KRAXQNQLHLLCAV-UHFFFAOYSA-N -1 1 394.880 3.385 40 0 GGABMM CCOCCCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010315319 1398885804 /nfs/dbraw/zinc/88/58/04/1398885804.db2.gz GUIGRFYVLJYVJH-UHFFFAOYSA-N -1 1 390.505 3.261 40 0 GGABMM CCOCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010360789 1398888286 /nfs/dbraw/zinc/88/82/86/1398888286.db2.gz QVNBBCZFPBEOFC-UHFFFAOYSA-N -1 1 390.505 3.261 40 0 GGABMM O=C(NCCc1c[nH]c2ccccc12)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000028296868 1400147249 /nfs/dbraw/zinc/14/72/49/1400147249.db2.gz FFPOBKBITNIVEF-WOJGMQOQSA-N -1 1 391.452 3.464 40 0 GGABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)N1CCCCC1 ZINC000106755868 231018371 /nfs/dbraw/zinc/01/83/71/231018371.db2.gz YPZIHARQDGUTHA-ZROIWOOFSA-N -1 1 380.853 3.094 40 0 GGABMM COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408609590 231078604 /nfs/dbraw/zinc/07/86/04/231078604.db2.gz PFKVAFLFZIQLEM-MRXNPFEDSA-N -1 1 390.505 3.177 40 0 GGABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000408609993 231079032 /nfs/dbraw/zinc/07/90/32/231079032.db2.gz PWSAXVAXNUVVBJ-FQEVSTJZSA-N -1 1 384.451 3.498 40 0 GGABMM C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21 ZINC000409139566 231170271 /nfs/dbraw/zinc/17/02/71/231170271.db2.gz BKJXAGSIRPPGTM-OMJMQIJPSA-N -1 1 383.473 3.366 40 0 GGABMM O=C(CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O)N1CCCCCC1 ZINC000409208477 231180599 /nfs/dbraw/zinc/18/05/99/231180599.db2.gz GFGISYNGPNASLT-GDNBJRDFSA-N -1 1 394.880 3.485 40 0 GGABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000409141278 529548919 /nfs/dbraw/zinc/54/89/19/529548919.db2.gz UVRNUDCFXMDXGG-YBEGLDIGSA-N -1 1 383.473 3.150 40 0 GGABMM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408594329 529895408 /nfs/dbraw/zinc/89/54/08/529895408.db2.gz OMEHCBKMRNKMDU-CQSZACIVSA-N -1 1 384.457 3.154 40 0 GGABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)n1 ZINC000004145539 209119953 /nfs/dbraw/zinc/11/99/53/209119953.db2.gz BFYVDBNLBYAIHE-UHFFFAOYSA-N -1 1 377.775 3.481 40 0 GGABMM CC(C)OC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000095101329 209121395 /nfs/dbraw/zinc/12/13/95/209121395.db2.gz SPFIMOQUDAMQRY-AQOAWAETSA-N -1 1 386.492 3.420 40 0 GGABMM COC(=O)Cc1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)cc1 ZINC000024439276 206298226 /nfs/dbraw/zinc/29/82/26/206298226.db2.gz VRFYTNBWNRKZJR-UHFFFAOYSA-N -1 1 396.472 3.270 40 0 GGABMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2nc(C)cs2)cc1 ZINC000032882235 206303317 /nfs/dbraw/zinc/30/33/17/206303317.db2.gz QIVHNWFIBUZNFR-UHFFFAOYSA-N -1 1 389.506 3.088 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000001006528 206340599 /nfs/dbraw/zinc/34/05/99/206340599.db2.gz YNVGMAUGSWCKPP-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM Cc1ccc(NC(=O)COC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000001417342 206379846 /nfs/dbraw/zinc/37/98/46/206379846.db2.gz JIFDYLQGKFJNCQ-MHWRWJLKSA-N -1 1 396.424 3.114 40 0 GGABMM [O-]c1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc32)cc1Cl ZINC000014974449 207037451 /nfs/dbraw/zinc/03/74/51/207037451.db2.gz JLIRVZVVCCIAKG-UHFFFAOYSA-N -1 1 389.839 3.304 40 0 in-vivo GGABMM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)N1 ZINC000015012710 207040987 /nfs/dbraw/zinc/04/09/87/207040987.db2.gz SMPADMVPBACCGV-ZSOIEALJSA-N -1 1 391.196 3.348 40 0 GGABMM O=C(Cc1sc(Nc2ccc(O)cc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000016712585 207077827 /nfs/dbraw/zinc/07/78/27/207077827.db2.gz XPHAAWFLQQDGDQ-AWEZNQCLSA-N -1 1 375.837 3.484 40 0 GGABMM COc1cccc([C@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2[O-])c1 ZINC000016958346 207080328 /nfs/dbraw/zinc/08/03/28/207080328.db2.gz BDYGXBHZVFIJOH-QGZVFWFLSA-N -1 1 394.456 3.377 40 0 GGABMM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)c1ccccc1-2 ZINC000017315437 207089056 /nfs/dbraw/zinc/08/90/56/207089056.db2.gz XYHFOCVVLDYSPO-QWPQOLDESA-N -1 1 390.317 3.014 40 0 GGABMM CC(C)CC(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019446630 207121032 /nfs/dbraw/zinc/12/10/32/207121032.db2.gz KOOZKVXVAMACCP-LJQANCHMSA-N -1 1 376.460 3.278 40 0 GGABMM CC(C)CC(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019446628 207121318 /nfs/dbraw/zinc/12/13/18/207121318.db2.gz KOOZKVXVAMACCP-IBGZPJMESA-N -1 1 376.460 3.278 40 0 GGABMM Cc1[nH]c2c(cccc2C(=O)N[C@H](C)c2cc(=O)[n-]c(-c3ccccn3)n2)c1C ZINC000019576916 207137721 /nfs/dbraw/zinc/13/77/21/207137721.db2.gz MIYIRBQMWBFQSS-CQSZACIVSA-N -1 1 387.443 3.421 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2oc1=O ZINC000019936766 207171540 /nfs/dbraw/zinc/17/15/40/207171540.db2.gz FMZYHOUVWJVPAN-UHFFFAOYSA-N -1 1 397.250 3.178 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2oc1=O ZINC000019936765 207172128 /nfs/dbraw/zinc/17/21/28/207172128.db2.gz FBIFVEVDEGGTCF-UHFFFAOYSA-N -1 1 397.250 3.178 40 0 GGABMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc2o1 ZINC000019936516 207172299 /nfs/dbraw/zinc/17/22/99/207172299.db2.gz KLDFRQCUKAKJPT-UHFFFAOYSA-N -1 1 376.287 3.080 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1N1CCCC1=O ZINC000020482883 207195831 /nfs/dbraw/zinc/19/58/31/207195831.db2.gz WJBBALCGWCLBCZ-UHFFFAOYSA-N -1 1 392.502 3.345 40 0 GGABMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024379286 207290827 /nfs/dbraw/zinc/29/08/27/207290827.db2.gz BQAGUBSNHKFFOD-UHFFFAOYSA-N -1 1 389.355 3.137 40 0 GGABMM O=C(NCCOc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000025644614 207306048 /nfs/dbraw/zinc/30/60/48/207306048.db2.gz HJPGBQOGONQEPP-UHFFFAOYSA-N -1 1 396.468 3.296 40 0 GGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000028247292 207338060 /nfs/dbraw/zinc/33/80/60/207338060.db2.gz XUZIDPKSAAMNSG-UHFFFAOYSA-N -1 1 397.836 3.022 40 0 GGABMM CCc1nnc([N-]c2cccc(C3CCN(C(=O)c4cnccn4)CC3)n2)s1 ZINC000072376147 208009077 /nfs/dbraw/zinc/00/90/77/208009077.db2.gz MFFMDEKRNMBQKN-UHFFFAOYSA-N -1 1 395.492 3.049 40 0 GGABMM COc1cccc(CN[C@@H](C)c2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)c1 ZINC000100769424 208381885 /nfs/dbraw/zinc/38/18/85/208381885.db2.gz SYOCBZXYPYPGJE-AWEZNQCLSA-N -1 1 382.464 3.188 40 0 GGABMM O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C([O-])=C12)c1ccccc1 ZINC000100355258 208375546 /nfs/dbraw/zinc/37/55/46/208375546.db2.gz FNTIWPRXWGGWGR-CZUORRHYSA-N -1 1 389.194 3.121 40 0 GGABMM COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ncccc4[O-])C3)o2)c1 ZINC000257305811 209073526 /nfs/dbraw/zinc/07/35/26/209073526.db2.gz SRQNXMYMOPIZNY-MRXNPFEDSA-N -1 1 393.443 3.394 40 0 GGABMM COc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613561 533967369 /nfs/dbraw/zinc/96/73/69/533967369.db2.gz YCQKYDCYMAXACU-IBGZPJMESA-N -1 1 382.460 3.059 40 0 GGABMM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408592867 527713209 /nfs/dbraw/zinc/71/32/09/527713209.db2.gz OXZLJVAJZFBQFM-ZDUSSCGKSA-N -1 1 396.896 3.433 40 0 GGABMM CC(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408595183 529133198 /nfs/dbraw/zinc/13/31/98/529133198.db2.gz UDRGICZXNCHKAC-UHFFFAOYSA-N -1 1 382.869 3.044 40 0 GGABMM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408592866 529145520 /nfs/dbraw/zinc/14/55/20/529145520.db2.gz OXZLJVAJZFBQFM-CYBMUJFWSA-N -1 1 396.896 3.433 40 0 GGABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000004944248 564209790 /nfs/dbraw/zinc/20/97/90/564209790.db2.gz BWWMBKKOJSTMTI-SNVBAGLBSA-N -1 1 380.267 3.119 40 0 GGABMM Nc1cc(=O)[n-]c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000004993216 564210411 /nfs/dbraw/zinc/21/04/11/564210411.db2.gz MSNNILDIFYDKNM-UHFFFAOYSA-N -1 1 379.656 3.043 40 0 GGABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006362086 564223397 /nfs/dbraw/zinc/22/33/97/564223397.db2.gz DCDXPCGIKSDATB-UHFFFAOYSA-N -1 1 383.853 3.255 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1NC(C)=O ZINC000007052619 564231594 /nfs/dbraw/zinc/23/15/94/564231594.db2.gz OUVMKKITIZVPFL-UHFFFAOYSA-N -1 1 399.266 3.217 40 0 GGABMM CCCc1n[n-]c(=S)n1NCc1cc(Br)c(OC)c(OC)c1 ZINC000007601369 564239018 /nfs/dbraw/zinc/23/90/18/564239018.db2.gz HZHHOOVHUJNHIO-UHFFFAOYSA-N -1 1 387.303 3.417 40 0 GGABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Cl ZINC000008092088 564245088 /nfs/dbraw/zinc/24/50/88/564245088.db2.gz XWWYKTAEXZQOEH-UHFFFAOYSA-N -1 1 390.244 3.346 40 0 GGABMM CCCc1cc(=O)[n-]c(SCc2nc3ccc(Cl)cc3n2CCO)n1 ZINC000008135375 564245794 /nfs/dbraw/zinc/24/57/94/564245794.db2.gz CZRRVXUELWJYCG-UHFFFAOYSA-N -1 1 378.885 3.010 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000008935668 564251776 /nfs/dbraw/zinc/25/17/76/564251776.db2.gz VMWLCKUETVHJTL-LBPRGKRZSA-N -1 1 384.299 3.118 40 0 GGABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000012200389 564267231 /nfs/dbraw/zinc/26/72/31/564267231.db2.gz HKQHKKPAFUTANQ-UHFFFAOYSA-N -1 1 399.255 3.448 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1OC ZINC000013677240 564278387 /nfs/dbraw/zinc/27/83/87/564278387.db2.gz YFLAITQJBSFHTJ-UHFFFAOYSA-N -1 1 382.869 3.208 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccccc2Br)s1 ZINC000022357487 564316562 /nfs/dbraw/zinc/31/65/62/564316562.db2.gz ALFLCMLURRZVSO-GFCCVEGCSA-N -1 1 384.299 3.118 40 0 GGABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000031665508 564391133 /nfs/dbraw/zinc/39/11/33/564391133.db2.gz UNFUAFDEIYFMDF-UHFFFAOYSA-N -1 1 389.445 3.355 40 0 GGABMM COc1cccc(CN(C)C(=O)c2cc(Br)ccc2[O-])c1OC ZINC000032964150 564408386 /nfs/dbraw/zinc/40/83/86/564408386.db2.gz OUGUWVQDQRXAEG-UHFFFAOYSA-N -1 1 380.238 3.444 40 0 GGABMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1 ZINC000048353818 564537661 /nfs/dbraw/zinc/53/76/61/564537661.db2.gz CGLABGPYFUSZRF-UHFFFAOYSA-N -1 1 380.853 3.401 40 0 GGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000055549109 564623570 /nfs/dbraw/zinc/62/35/70/564623570.db2.gz APCFITXHVCZJRQ-UHFFFAOYSA-N -1 1 387.288 3.473 40 0 GGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000223288401 565907035 /nfs/dbraw/zinc/90/70/35/565907035.db2.gz LLMQVSCDERJQMC-JXMROGBWSA-N -1 1 395.278 3.009 40 0 GGABMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225678947 565916022 /nfs/dbraw/zinc/91/60/22/565916022.db2.gz HCYMPWBGQBYDJY-UHFFFAOYSA-N -1 1 378.475 3.188 40 0 GGABMM O=C1OCCN1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000048353791 570241201 /nfs/dbraw/zinc/24/12/01/570241201.db2.gz ZTGDIQLFYIDJOD-UHFFFAOYSA-N -1 1 386.473 3.318 40 0 GGABMM Cc1nc(C=CC(=O)N2CCC[C@@H]2c2nccnc2[N-]c2nccs2)cs1 ZINC000585291220 570260000 /nfs/dbraw/zinc/26/00/00/570260000.db2.gz LUJYYTBPBAYSRT-ISZGNANSSA-N -1 1 398.517 3.240 40 0 GGABMM CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)[C@H]3CC=CCC3)nc(=O)c2c1C ZINC000006291463 570363632 /nfs/dbraw/zinc/36/36/32/570363632.db2.gz IYAASOFNBIIEJG-RYUDHWBXSA-N -1 1 390.461 3.430 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000006343460 570391790 /nfs/dbraw/zinc/39/17/90/570391790.db2.gz NSVDWDITLPBEHO-UHFFFAOYSA-N -1 1 381.457 3.121 40 0 GGABMM CCC(N[C@H]1CCCc2ccccc21)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000102201872 570416584 /nfs/dbraw/zinc/41/65/84/570416584.db2.gz PGIGBUPEMGENLB-HVESIFNPSA-N -1 1 385.533 3.217 40 0 GGABMM CCC(N[C@@H]1CCCc2ccccc21)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000102201867 570416599 /nfs/dbraw/zinc/41/65/99/570416599.db2.gz PGIGBUPEMGENLB-GROYHEBESA-N -1 1 385.533 3.217 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1OCC ZINC000007927717 570432575 /nfs/dbraw/zinc/43/25/75/570432575.db2.gz PBACUPSORAUWES-UHFFFAOYSA-N -1 1 379.434 3.071 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(C)=O)cc1 ZINC000223254839 570453305 /nfs/dbraw/zinc/45/33/05/570453305.db2.gz HEUAPJCHVHZTJC-UHFFFAOYSA-N -1 1 379.434 3.106 40 0 GGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)cc1 ZINC000223274238 570455172 /nfs/dbraw/zinc/45/51/72/570455172.db2.gz HTMDHCFBVNDSRW-UHFFFAOYSA-N -1 1 384.461 3.169 40 0 GGABMM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000223303129 570457058 /nfs/dbraw/zinc/45/70/58/570457058.db2.gz OQZYBRPBMGYXSN-UHFFFAOYSA-N -1 1 384.457 3.108 40 0 GGABMM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C1C(=O)Nc2ccccc2[S@@]1=O ZINC000005834452 570458787 /nfs/dbraw/zinc/45/87/87/570458787.db2.gz WVKORGAIDBIUHA-WHLCRQNOSA-N -1 1 398.484 3.009 40 0 GGABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1)oc(=O)n2C ZINC000223336060 570459697 /nfs/dbraw/zinc/45/96/97/570459697.db2.gz FHJXTRVROUFFIE-UHFFFAOYSA-N -1 1 386.351 3.260 40 0 GGABMM C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(Cl)c2)C1=O ZINC000008267969 570469670 /nfs/dbraw/zinc/46/96/70/570469670.db2.gz WGTIVSWFBSHSAV-GPILYODUSA-N -1 1 394.880 3.483 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)cc1C ZINC000223640727 570476293 /nfs/dbraw/zinc/47/62/93/570476293.db2.gz DZRWFHNMHGSSBY-UHFFFAOYSA-N -1 1 388.489 3.431 40 0 GGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OC)c2)ccc1C ZINC000223802000 570485194 /nfs/dbraw/zinc/48/51/94/570485194.db2.gz LNHHPIFNYZUDJX-UHFFFAOYSA-N -1 1 397.836 3.022 40 0 GGABMM CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223983850 570492631 /nfs/dbraw/zinc/49/26/31/570492631.db2.gz CTNUZNKIYIIRLS-UHFFFAOYSA-N -1 1 376.478 3.416 40 0 GGABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224013899 570494449 /nfs/dbraw/zinc/49/44/49/570494449.db2.gz PXXXTIRLRSNSJK-UHFFFAOYSA-N -1 1 376.478 3.334 40 0 GGABMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000007423547 570504994 /nfs/dbraw/zinc/50/49/94/570504994.db2.gz FLZRRFBFFQVHHU-UHFFFAOYSA-N -1 1 396.534 3.183 40 0 GGABMM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000022959426 570516544 /nfs/dbraw/zinc/51/65/44/570516544.db2.gz SIZAREXJRLYULQ-UHFFFAOYSA-N -1 1 388.367 3.088 40 0 GGABMM Cn1c2ccccc2nc1SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000002645006 570592740 /nfs/dbraw/zinc/59/27/40/570592740.db2.gz MRJDRBACHZUHDH-UHFFFAOYSA-N -1 1 391.399 3.223 40 0 GGABMM CSc1nc(C)c(CC(=O)NC2(c3cccc(F)c3)CCCC2)c(=O)[n-]1 ZINC000012197781 570623522 /nfs/dbraw/zinc/62/35/22/570623522.db2.gz KIDSDQPWNALDOH-UHFFFAOYSA-N -1 1 375.469 3.068 40 0 GGABMM COc1cccc(CN2CCCC[C@H]2c2cc3nc(C)cc(=O)n3[n-]2)c1OC ZINC000012337770 570645121 /nfs/dbraw/zinc/64/51/21/570645121.db2.gz XLPYDXXYESUMNF-KRWDZBQOSA-N -1 1 382.464 3.488 40 0 GGABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccn3)c2)c1 ZINC000033023894 570652403 /nfs/dbraw/zinc/65/24/03/570652403.db2.gz VPKRQTFPRIKQQS-UHFFFAOYSA-N -1 1 395.484 3.429 40 0 GGABMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000060333281 570663350 /nfs/dbraw/zinc/66/33/50/570663350.db2.gz GOFJTRWXETZYLI-FXAWDEMLSA-N -1 1 382.460 3.266 40 0 GGABMM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCCCC1)c1ccc2c(c1)OCCO2 ZINC000008708093 570681165 /nfs/dbraw/zinc/68/11/65/570681165.db2.gz HEOQMTADHAUGSH-UHFFFAOYSA-N -1 1 399.472 3.335 40 0 GGABMM Cn1cnc2c1c1cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc1oc2=O ZINC000006941415 570715041 /nfs/dbraw/zinc/71/50/41/570715041.db2.gz BFTYTOQWYMHBHB-UHFFFAOYSA-N -1 1 389.820 3.134 40 0 GGABMM O=C(NC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005582795 570733962 /nfs/dbraw/zinc/73/39/62/570733962.db2.gz LUCFJXYJVKQSHA-MRXNPFEDSA-N -1 1 394.880 3.050 40 0 GGABMM CCCOC(=O)c1cc(NC(=O)CSc2nc(C)cc(=O)[n-]2)ccc1Cl ZINC000006379909 570741618 /nfs/dbraw/zinc/74/16/18/570741618.db2.gz TWHLSQGUGGONFJ-UHFFFAOYSA-N -1 1 395.868 3.029 40 0 GGABMM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 ZINC000025509911 570756949 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COC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000024379465 570792433 /nfs/dbraw/zinc/79/24/33/570792433.db2.gz OGXYXNNMIZDCBE-UHFFFAOYSA-N -1 1 389.351 3.102 40 0 GGABMM COc1cccc(-n2cnnc2SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000005895540 570801821 /nfs/dbraw/zinc/80/18/21/570801821.db2.gz ZLKHQEAPDCCPAH-UHFFFAOYSA-N -1 1 381.413 3.380 40 0 GGABMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000070776131 570828345 /nfs/dbraw/zinc/82/83/45/570828345.db2.gz CZTWHTDVLHVKPU-AWEZNQCLSA-N -1 1 376.478 3.333 40 0 GGABMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000012526112 570830816 /nfs/dbraw/zinc/83/08/16/570830816.db2.gz AZOVJFRAIBPRJD-UHFFFAOYSA-N -1 1 395.502 3.212 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC000012535956 570835613 /nfs/dbraw/zinc/83/56/13/570835613.db2.gz NBHWJWPLMWTOAR-OAHLLOKOSA-N -1 1 388.489 3.368 40 0 GGABMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000042092138 570885546 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210876407 /nfs/dbraw/zinc/87/64/07/210876407.db2.gz JSMBFSMQOFSIDI-ZETCQYMHSA-N -1 1 389.098 3.213 40 0 GGABMM C[C@@H]1Cc2ccccc2N1c1nc(N)c(C(=S)Nc2ccccc2)c(=O)[n-]1 ZINC000040385594 210784427 /nfs/dbraw/zinc/78/44/27/210784427.db2.gz DBWKMIOILTUOML-GFCCVEGCSA-N -1 1 377.473 3.222 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1OC ZINC000022960073 210430250 /nfs/dbraw/zinc/43/02/50/210430250.db2.gz KMWFPGKUDPKHOH-UHFFFAOYSA-N -1 1 392.477 3.033 40 0 GGABMM CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[n-]c1=O ZINC000020673215 210355427 /nfs/dbraw/zinc/35/54/27/210355427.db2.gz GDGWGZMMMOQGHV-UHFFFAOYSA-N -1 1 395.463 3.186 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2n(CC)c1=O ZINC000020215026 210324101 /nfs/dbraw/zinc/32/41/01/210324101.db2.gz ASLDXRIOKAXPBT-UHFFFAOYSA-N -1 1 379.869 3.297 40 0 GGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl ZINC000020453853 210335092 /nfs/dbraw/zinc/33/50/92/210335092.db2.gz ZZJGCLJTLXQDSS-UHFFFAOYSA-N -1 1 397.836 3.089 40 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/nfs/dbraw/zinc/31/36/32/221313632.db2.gz FIWOMLINDDFBSD-UHFFFAOYSA-N -1 1 390.424 3.196 40 0 GGABMM COc1cccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408613029 533401177 /nfs/dbraw/zinc/40/11/77/533401177.db2.gz WMUDKYPEDIMVDH-NRFANRHFSA-N -1 1 396.487 3.368 40 0 GGABMM CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000095101328 222330624 /nfs/dbraw/zinc/33/06/24/222330624.db2.gz SPFIMOQUDAMQRY-SGXKBVARSA-N -1 1 386.492 3.420 40 0 GGABMM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000408607885 528054096 /nfs/dbraw/zinc/05/40/96/528054096.db2.gz QVDJJHQCLNWIBG-CQSZACIVSA-N -1 1 394.468 3.166 40 0 GGABMM CCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408591395 528509347 /nfs/dbraw/zinc/50/93/47/528509347.db2.gz LYCWRVZLTZAFBT-UHFFFAOYSA-N -1 1 396.896 3.436 40 0 GGABMM COc1ccc2nc(C[C@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289590 560032202 /nfs/dbraw/zinc/03/22/02/560032202.db2.gz VXXRVINVYYKRET-GJZGRUSLSA-N -1 1 387.480 3.100 40 0 biogenic,in-vitro GGABMM COc1ccc2nc(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289605 560032309 /nfs/dbraw/zinc/03/23/09/560032309.db2.gz WKJOEEXKGBFLPT-KBPBESRZSA-N -1 1 387.480 3.100 40 0 biogenic,in-vitro GGABMM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289049 560033657 /nfs/dbraw/zinc/03/36/57/560033657.db2.gz MWPGFIMIUMNPQP-GJZGRUSLSA-N -1 1 387.455 3.374 40 0 biogenic,in-vitro GGABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1Cl ZINC000004968958 564210556 /nfs/dbraw/zinc/21/05/56/564210556.db2.gz LHGINMWNHHKLSZ-UHFFFAOYSA-N -1 1 380.853 3.058 40 0 GGABMM CCOc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1Br ZINC000005791123 564219711 /nfs/dbraw/zinc/21/97/11/564219711.db2.gz RRKBZUQTMJMQBC-GHXNOFRVSA-N -1 1 384.255 3.492 40 0 GGABMM CCOc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1Br ZINC000005791123 564219714 /nfs/dbraw/zinc/21/97/14/564219714.db2.gz RRKBZUQTMJMQBC-GHXNOFRVSA-N -1 1 384.255 3.492 40 0 GGABMM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1 ZINC000006361979 564223140 /nfs/dbraw/zinc/22/31/40/564223140.db2.gz JJHRRCUNSCRBFC-UHFFFAOYSA-N -1 1 381.475 3.151 40 0 GGABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000006730359 564227103 /nfs/dbraw/zinc/22/71/03/564227103.db2.gz PILZLOUYGMFPPN-UHFFFAOYSA-N -1 1 376.865 3.440 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008053018 564244536 /nfs/dbraw/zinc/24/45/36/564244536.db2.gz NMZXPUKZTTWQNK-UHFFFAOYSA-N -1 1 378.841 3.120 40 0 GGABMM COc1c(Br)cc(Br)cc1CNn1cn[n-]c1=S ZINC000008469537 564249476 /nfs/dbraw/zinc/24/94/76/564249476.db2.gz GCKJZEGRLXMTJX-UHFFFAOYSA-N -1 1 394.092 3.218 40 0 GGABMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000012068292 564266020 /nfs/dbraw/zinc/26/60/20/564266020.db2.gz CXGHXOZQPUJOBI-UHFFFAOYSA-N -1 1 395.278 3.159 40 0 GGABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199971 564266599 /nfs/dbraw/zinc/26/65/99/564266599.db2.gz REUBLMZLZMKGEC-UHFFFAOYSA-N -1 1 378.837 3.103 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(C)=O ZINC000012548525 564269645 /nfs/dbraw/zinc/26/96/45/564269645.db2.gz SLCHQLLJMSJZEG-UHFFFAOYSA-N -1 1 399.266 3.217 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc(C)c(Cl)cc2OC)s1 ZINC000022195122 564314876 /nfs/dbraw/zinc/31/48/76/564314876.db2.gz TZXWYSOALUJYPY-CQSZACIVSA-N -1 1 383.901 3.325 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccccc2Br)s1 ZINC000022357489 564316667 /nfs/dbraw/zinc/31/66/67/564316667.db2.gz ALFLCMLURRZVSO-LBPRGKRZSA-N -1 1 384.299 3.118 40 0 GGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)ccc1Cl ZINC000022528560 564317467 /nfs/dbraw/zinc/31/74/67/564317467.db2.gz UDOHMBUWVIGBNE-UHFFFAOYSA-N -1 1 387.816 3.465 40 0 GGABMM Cc1cccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000041152857 564429945 /nfs/dbraw/zinc/42/99/45/564429945.db2.gz QZDMISQNMAMNMY-UHFFFAOYSA-N -1 1 377.853 3.318 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)c(Cl)c2)cc1 ZINC000055632533 564627174 /nfs/dbraw/zinc/62/71/74/564627174.db2.gz HIOIZIHDCWWULB-UHFFFAOYSA-N -1 1 380.853 3.042 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000064946776 564737196 /nfs/dbraw/zinc/73/71/96/564737196.db2.gz QEFBCMMDUMPPFF-UHFFFAOYSA-N -1 1 384.866 3.063 40 0 GGABMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000109068006 565020689 /nfs/dbraw/zinc/02/06/89/565020689.db2.gz KVCXXFVHAXOAIF-UHFFFAOYSA-N -1 1 388.214 3.176 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1C ZINC000408621769 565615148 /nfs/dbraw/zinc/61/51/48/565615148.db2.gz OBDGTWOBRKLRHE-UHFFFAOYSA-N -1 1 382.869 3.208 40 0 GGABMM Cn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000225037289 565912523 /nfs/dbraw/zinc/91/25/23/565912523.db2.gz UESZMVJIKZMXNY-UHFFFAOYSA-N -1 1 399.291 3.163 40 0 GGABMM O=C(C=Cc1ccccc1)N1CCC[C@@H]1c1nccnc1[N-]c1nccs1 ZINC000585291411 570260251 /nfs/dbraw/zinc/26/02/51/570260251.db2.gz CITSOAQNJOMIIS-ROJDOSBLSA-N -1 1 377.473 3.476 40 0 GGABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c1 ZINC000006141994 570276750 /nfs/dbraw/zinc/27/67/50/570276750.db2.gz UTLRFZNWSLSOSP-SFHVURJKSA-N -1 1 388.489 3.013 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl ZINC000022530539 570320693 /nfs/dbraw/zinc/32/06/93/570320693.db2.gz HPAMMOQZLMJQFK-UHFFFAOYSA-N -1 1 396.852 3.276 40 0 GGABMM O=C(NCCCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000113936291 570334885 /nfs/dbraw/zinc/33/48/85/570334885.db2.gz XROFKZSXXQAZID-UHFFFAOYSA-N -1 1 384.457 3.443 40 0 GGABMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000026542886 570341937 /nfs/dbraw/zinc/34/19/37/570341937.db2.gz LBUHXLNQVSDISK-UHFFFAOYSA-N -1 1 385.445 3.029 40 0 GGABMM O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C([O-])=C12)c1ccccc1 ZINC000003848937 570351951 /nfs/dbraw/zinc/35/19/51/570351951.db2.gz FNTIWPRXWGGWGR-XJKSGUPXSA-N -1 1 389.194 3.121 40 0 GGABMM O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12)c1ccc(Cl)cc1 ZINC000003849236 570352158 /nfs/dbraw/zinc/35/21/58/570352158.db2.gz GNNYJOMBKVEREX-CJNGLKHVSA-N -1 1 389.194 3.121 40 0 GGABMM O=C([N-]c1nc(NC(=O)c2ccco2)nc(-c2ccccc2)n1)c1ccco1 ZINC000005775864 570456400 /nfs/dbraw/zinc/45/64/00/570456400.db2.gz ITHRDFSNIIIQRO-UHFFFAOYSA-N -1 1 375.344 3.229 40 0 GGABMM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C1C(=O)Nc2ccccc2[S@]1=O ZINC000005834463 570458656 /nfs/dbraw/zinc/45/86/56/570458656.db2.gz WVKORGAIDBIUHA-GDJIYFAZSA-N -1 1 398.484 3.009 40 0 GGABMM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C1C(=O)Nc2ccccc2[S@]1=O ZINC000005834469 570458667 /nfs/dbraw/zinc/45/86/67/570458667.db2.gz WVKORGAIDBIUHA-VKGTZQKMSA-N -1 1 398.484 3.009 40 0 GGABMM COCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223410414 570464607 /nfs/dbraw/zinc/46/46/07/570464607.db2.gz AALRJAYUQMCDBO-UHFFFAOYSA-N -1 1 392.477 3.031 40 0 GGABMM CCN(CC)c1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223411935 570464726 /nfs/dbraw/zinc/46/47/26/570464726.db2.gz STTIWBJAZDXXLM-UHFFFAOYSA-N -1 1 376.478 3.429 40 0 GGABMM COC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223413419 570465025 /nfs/dbraw/zinc/46/50/25/570465025.db2.gz MVEOSKFUMVWFIT-AWEZNQCLSA-N -1 1 392.477 3.029 40 0 GGABMM CC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223417433 570465423 /nfs/dbraw/zinc/46/54/23/570465423.db2.gz FEYWLTAURACPDL-ZDUSSCGKSA-N -1 1 392.477 3.493 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1NC(C)=O ZINC000223787979 570484748 /nfs/dbraw/zinc/48/47/48/570484748.db2.gz VGZRURZETVWOCH-UHFFFAOYSA-N -1 1 378.450 3.242 40 0 GGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1C ZINC000223837526 570486667 /nfs/dbraw/zinc/48/66/67/570486667.db2.gz NBNFCMLHHLHFSL-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM O=C(NCCCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223930688 570490618 /nfs/dbraw/zinc/49/06/18/570490618.db2.gz GOYVZDZVZXPGCO-UHFFFAOYSA-N -1 1 384.457 3.443 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(C)C)cc2)cc1 ZINC000223983903 570492800 /nfs/dbraw/zinc/49/28/00/570492800.db2.gz VSSJSQQZWYWIRQ-UHFFFAOYSA-N -1 1 376.478 3.272 40 0 GGABMM CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223987736 570493134 /nfs/dbraw/zinc/49/31/34/570493134.db2.gz SNLFJBALSKUVOP-UHFFFAOYSA-N -1 1 376.478 3.414 40 0 GGABMM COc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224073200 570497202 /nfs/dbraw/zinc/49/72/02/570497202.db2.gz GFVKFCSEEJWHPW-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000225077306 570547621 /nfs/dbraw/zinc/54/76/21/570547621.db2.gz VLUCYLXGPRHOCE-UHFFFAOYSA-N -1 1 380.425 3.294 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1OC ZINC000225262895 570560334 /nfs/dbraw/zinc/56/03/34/570560334.db2.gz HHACWDJPGGZSMX-UHFFFAOYSA-N -1 1 396.490 3.185 40 0 GGABMM Cc1nnc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000538000107 570576206 /nfs/dbraw/zinc/57/62/06/570576206.db2.gz JGMPVHMCILGJHD-UHFFFAOYSA-N -1 1 388.518 3.279 40 0 GGABMM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)N1CCCCC1 ZINC000001381489 570584432 /nfs/dbraw/zinc/58/44/32/570584432.db2.gz GDEGCFDJRROKON-UHFFFAOYSA-N -1 1 398.460 3.173 40 0 GGABMM O=c1[n-]c(N2CCOCC2)nc2ncn(-c3ccc4ccccc4c3)c(=S)c12 ZINC000040385702 570598695 /nfs/dbraw/zinc/59/86/95/570598695.db2.gz AHEKHXZEDAVSPI-UHFFFAOYSA-N -1 1 391.456 3.240 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SCC)ccc1OC ZINC000044841195 570634981 /nfs/dbraw/zinc/63/49/81/570634981.db2.gz JNKGHHFKMVITSF-UHFFFAOYSA-N -1 1 394.518 3.358 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1N1CCCC1=O ZINC000044847273 570635317 /nfs/dbraw/zinc/63/53/17/570635317.db2.gz IPQYDFNRNCERKI-UHFFFAOYSA-N -1 1 398.843 3.415 40 0 GGABMM COc1cccc(CN2CCCC[C@@H]2c2cc3nc(C)cc(=O)n3[n-]2)c1OC ZINC000012337769 570645200 /nfs/dbraw/zinc/64/52/00/570645200.db2.gz XLPYDXXYESUMNF-QGZVFWFLSA-N -1 1 382.464 3.488 40 0 GGABMM CCc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1 ZINC000004945274 570646098 /nfs/dbraw/zinc/64/60/98/570646098.db2.gz JSCLNNRXIOPWFP-UHFFFAOYSA-N -1 1 386.502 3.495 40 0 GGABMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C)c(C(F)(F)F)c3)cc12 ZINC000060331646 570661475 /nfs/dbraw/zinc/66/14/75/570661475.db2.gz AEAGZAOFYBDNEB-UHFFFAOYSA-N -1 1 384.383 3.405 40 0 GGABMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000060333284 570663512 /nfs/dbraw/zinc/66/35/12/570663512.db2.gz GOFJTRWXETZYLI-XLIONFOSSA-N -1 1 382.460 3.266 40 0 GGABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000057121389 570701301 /nfs/dbraw/zinc/70/13/01/570701301.db2.gz BNLXZLKSBVDDOL-CYBMUJFWSA-N -1 1 392.477 3.033 40 0 GGABMM CC(C)OC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000248198713 570722264 /nfs/dbraw/zinc/72/22/64/570722264.db2.gz SPFIMOQUDAMQRY-NRJQMVOHSA-N -1 1 386.492 3.420 40 0 GGABMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000058543312 570734714 /nfs/dbraw/zinc/73/47/14/570734714.db2.gz GSRHGBNGTBNQEY-UHFFFAOYSA-N 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CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000223586253 570472773 /nfs/dbraw/zinc/47/27/73/570472773.db2.gz AISWOEHSXGBUGI-UHFFFAOYSA-N -1 1 375.425 3.478 40 0 GGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000223837615 570486553 /nfs/dbraw/zinc/48/65/53/570486553.db2.gz CVOXJPAUTJTLSE-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223990955 570493193 /nfs/dbraw/zinc/49/31/93/570493193.db2.gz CGNRDELIZZPYQD-UHFFFAOYSA-N -1 1 392.477 3.035 40 0 GGABMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224002315 570494194 /nfs/dbraw/zinc/49/41/94/570494194.db2.gz RDODUTVRXSPWLJ-UHFFFAOYSA-N -1 1 396.896 3.216 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2C)cc1 ZINC000224008662 570494423 /nfs/dbraw/zinc/49/44/23/570494423.db2.gz UYWKPEBUMZOAGJ-UHFFFAOYSA-N -1 1 376.478 3.333 40 0 GGABMM CCC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224041526 570495754 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O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)ccc21 ZINC000224815750 570532283 /nfs/dbraw/zinc/53/22/83/570532283.db2.gz RQMCZNQMWOZZKK-UHFFFAOYSA-N -1 1 378.400 3.065 40 0 GGABMM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1)NC1CCCC1 ZINC000001381449 570584455 /nfs/dbraw/zinc/58/44/55/570584455.db2.gz XREWRATVSKOEHM-UHFFFAOYSA-N -1 1 398.460 3.220 40 0 GGABMM Cc1cccc(NC(=S)c2c(N)nc(N3CCc4ccccc4C3)[n-]c2=O)c1 ZINC000040385577 570598346 /nfs/dbraw/zinc/59/83/46/570598346.db2.gz MNTKFBBBWJGNSE-UHFFFAOYSA-N -1 1 391.500 3.011 40 0 GGABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2sc1=O ZINC000225705525 570606736 /nfs/dbraw/zinc/60/67/36/570606736.db2.gz RYPJFZQRKFJURB-UHFFFAOYSA-N -1 1 392.458 3.173 40 0 GGABMM COC(=O)c1ccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)cc1 ZINC000033331212 570645342 /nfs/dbraw/zinc/64/53/42/570645342.db2.gz ORHOSDZWUXQBCG-DHDCSXOGSA-N -1 1 385.401 3.378 40 0 GGABMM COC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)cc1 ZINC000033331212 570645345 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1398303284 /nfs/dbraw/zinc/30/32/84/1398303284.db2.gz POKSZIJJTLONHK-UHFFFAOYSA-N -1 1 380.425 3.141 40 0 GGABMM Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)n1 ZINC000002760887 1398318505 /nfs/dbraw/zinc/31/85/05/1398318505.db2.gz YKJCUAHIWSRROH-UHFFFAOYSA-N -1 1 390.852 3.127 40 0 GGABMM O=C(NC[C@@H]1CCCO1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000005582757 1398457601 /nfs/dbraw/zinc/45/76/01/1398457601.db2.gz KUYAUUQJLVDJAS-INIZCTEOSA-N -1 1 394.880 3.050 40 0 GGABMM Cc1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)[O-])n1 ZINC000006328674 1398543237 /nfs/dbraw/zinc/54/32/37/1398543237.db2.gz UIALNKQKFIBDMM-XNTDXEJSSA-N -1 1 389.437 3.229 40 0 GGABMM Cc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)[O-])n[nH]1 ZINC000006328674 1398543241 /nfs/dbraw/zinc/54/32/41/1398543241.db2.gz UIALNKQKFIBDMM-XNTDXEJSSA-N -1 1 389.437 3.229 40 0 GGABMM Cc1nnc(SC(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])[nH]1 ZINC000006961916 1398577959 /nfs/dbraw/zinc/57/79/59/1398577959.db2.gz 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CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199932 204382513 /nfs/dbraw/zinc/38/25/13/204382513.db2.gz VDLVHZFKFQEPIR-UHFFFAOYSA-N -1 1 386.473 3.266 40 0 GGABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199984 204383143 /nfs/dbraw/zinc/38/31/43/204383143.db2.gz PAAWCLQSCDOGAZ-UHFFFAOYSA-N -1 1 378.837 3.103 40 0 GGABMM CSCC[C@@H](NC(=O)c1ccccc1F)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019573913 204659293 /nfs/dbraw/zinc/65/92/93/204659293.db2.gz TZFKUHHZKNMCFD-OAHLLOKOSA-N -1 1 398.463 3.195 40 0 GGABMM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320917 205031105 /nfs/dbraw/zinc/03/11/05/205031105.db2.gz BYQNPKJKGRJTID-ULQDDVLXSA-N -1 1 398.507 3.336 40 0 biogenic,in-vitro GGABMM CC1=C[C@@H](CNC(=O)CCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320917 205031108 /nfs/dbraw/zinc/03/11/08/205031108.db2.gz BYQNPKJKGRJTID-ULQDDVLXSA-N -1 1 398.507 3.336 40 0 biogenic,in-vitro GGABMM O=C(NC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044900657 205089507 /nfs/dbraw/zinc/08/95/07/205089507.db2.gz GCKHYZBFTQJMET-CQSZACIVSA-N -1 1 394.880 3.050 40 0 GGABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000041153879 205078206 /nfs/dbraw/zinc/07/82/06/205078206.db2.gz VQHYTHSLWBHLKP-UHFFFAOYSA-N -1 1 393.852 3.018 40 0 GGABMM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000041152626 205078309 /nfs/dbraw/zinc/07/83/09/205078309.db2.gz SVMHELQURQZWOP-UHFFFAOYSA-N -1 1 377.853 3.318 40 0 GGABMM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc(Cl)c(Cl)cc1Br ZINC000054363508 205139995 /nfs/dbraw/zinc/13/99/95/205139995.db2.gz XLSJFYQGVVGZRH-ZETCQYMHSA-N -1 1 389.098 3.213 40 0 GGABMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000055648265 205150320 /nfs/dbraw/zinc/15/03/20/205150320.db2.gz UBYCXPMOCWUJHG-UHFFFAOYSA-N -1 1 376.478 3.414 40 0 GGABMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000058776573 205178807 /nfs/dbraw/zinc/17/88/07/205178807.db2.gz IXZOKMYOPSOYMN-UHFFFAOYSA-N -1 1 384.248 3.078 40 0 GGABMM CC(C)(C)NC(=O)CSc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000001381525 205713364 /nfs/dbraw/zinc/71/33/64/205713364.db2.gz WCGYHJUKMZYJOK-UHFFFAOYSA-N -1 1 386.449 3.075 40 0 GGABMM CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013340644 205887087 /nfs/dbraw/zinc/88/70/87/205887087.db2.gz XWYWSJNNTXQVCJ-UHFFFAOYSA-N -1 1 383.809 3.016 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(C)C ZINC000223655350 206004739 /nfs/dbraw/zinc/00/47/39/206004739.db2.gz BBRSYEBMHYRATE-UHFFFAOYSA-N -1 1 376.478 3.321 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c(C)c1 ZINC000223822182 206006787 /nfs/dbraw/zinc/00/67/87/206006787.db2.gz IGDZWSPJNYNKDX-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000223828794 206006814 /nfs/dbraw/zinc/00/68/14/206006814.db2.gz GVTUEDXHWDIGAM-UHFFFAOYSA-N -1 1 397.836 3.022 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000224021251 206010011 /nfs/dbraw/zinc/01/00/11/206010011.db2.gz NFXODGRDYUGHDP-UHFFFAOYSA-N -1 1 394.880 3.385 40 0 GGABMM CCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223983981 206010586 /nfs/dbraw/zinc/01/05/86/206010586.db2.gz JXHVPWZBXQSSTI-CQSZACIVSA-N -1 1 376.478 3.414 40 0 GGABMM CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224041376 206011450 /nfs/dbraw/zinc/01/14/50/206011450.db2.gz CEMLJBPHUULHIA-UHFFFAOYSA-N -1 1 376.478 3.416 40 0 GGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2sc1=O ZINC000225722040 206069272 /nfs/dbraw/zinc/06/92/72/206069272.db2.gz WKOGFJGYGJCXOX-UHFFFAOYSA-N -1 1 378.475 3.282 40 0 GGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000225672133 206065376 /nfs/dbraw/zinc/06/53/76/206065376.db2.gz VDJPRZNCJJMINR-UHFFFAOYSA-N -1 1 399.291 3.163 40 0 GGABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2c(C)cc(Br)cc2C)n1 ZINC000033373477 206098966 /nfs/dbraw/zinc/09/89/66/206098966.db2.gz CXJZLCSMBZCCBD-UHFFFAOYSA-N -1 1 382.283 3.188 40 0 GGABMM COc1cc(NC(=O)c2ccc(Br)cc2)ccc1[N-]S(C)(=O)=O ZINC000032818584 206092962 /nfs/dbraw/zinc/09/29/62/206092962.db2.gz GWURQTDBPAQDMP-UHFFFAOYSA-N -1 1 399.266 3.082 40 0 GGABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 ZINC000096183260 206121422 /nfs/dbraw/zinc/12/14/22/206121422.db2.gz QZTXXAYGHYRBRV-UHFFFAOYSA-N -1 1 387.461 3.066 40 0 GGABMM C[C@@]1(C2CCN(C(=O)c3cncc([O-])c3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257267183 206170049 /nfs/dbraw/zinc/17/00/49/206170049.db2.gz MGGRTARBFWQXQM-NRFANRHFSA-N -1 1 399.422 3.194 40 0 GGABMM COc1ccc(OC)c(COc2ccc([C@H]3NC[C@@H](C(=O)[O-])S3)cc2)c1 ZINC000408975361 532965505 /nfs/dbraw/zinc/96/55/05/532965505.db2.gz ASPHDKYBAPAOKN-ROUUACIJSA-N -1 1 375.446 3.071 40 0 GGABMM CCc1cccc2c(CN3CCc4c(=O)[n-]c(-c5ccccn5)nc4C3)c[nH]c21 ZINC000012120696 221154009 /nfs/dbraw/zinc/15/40/09/221154009.db2.gz CYKXSTGCENPSLR-UHFFFAOYSA-N -1 1 385.471 3.434 40 0 GGABMM COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)cc1 ZINC000408604887 533305365 /nfs/dbraw/zinc/30/53/65/533305365.db2.gz FPOUAJHMPGTNBH-NRFANRHFSA-N -1 1 396.487 3.368 40 0 GGABMM COc1cccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccccc3)CC2)c1 ZINC000408604845 533400579 /nfs/dbraw/zinc/40/05/79/533400579.db2.gz FMMLJCAKXBZTEE-FQEVSTJZSA-N -1 1 382.460 3.059 40 0 GGABMM O=C(c1cc(Br)ccc1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000012533722 136200518 /nfs/dbraw/zinc/20/05/18/136200518.db2.gz OGRWYVDCWHYFNI-UHFFFAOYSA-N -1 1 379.229 3.256 40 0 GGABMM CC(C)CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408586164 528036078 /nfs/dbraw/zinc/03/60/78/528036078.db2.gz AMCXTDWCOADAPI-UHFFFAOYSA-N -1 1 396.896 3.292 40 0 GGABMM CC1CCN(C(=O)Cn2cc(C=C3SC(=O)[N-]C3=O)c3ccccc32)CC1 ZINC000409125593 528220476 /nfs/dbraw/zinc/22/04/76/528220476.db2.gz CZYFKARLLOZVJO-YVLHZVERSA-N -1 1 383.473 3.224 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(=O)CC ZINC000408696662 528588800 /nfs/dbraw/zinc/58/88/00/528588800.db2.gz DFAZMSLFERJKAZ-UHFFFAOYSA-N -1 1 390.461 3.437 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1NC(=O)CC ZINC000408697872 528589172 /nfs/dbraw/zinc/58/91/72/528589172.db2.gz MCZFGHOCHURSOZ-UHFFFAOYSA-N -1 1 378.450 3.243 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(C)=O ZINC000408559201 528589236 /nfs/dbraw/zinc/58/92/36/528589236.db2.gz WBHVXVHLWKIYMN-UHFFFAOYSA-N -1 1 376.434 3.047 40 0 GGABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1OC ZINC000408585625 529107868 /nfs/dbraw/zinc/10/78/68/529107868.db2.gz HGRGLPBVJWMWEH-UHFFFAOYSA-N -1 1 392.433 3.267 40 0 GGABMM CCOC(=O)c1cc(-c2ccc(/C=C3/NC(=S)[N-]C3=O)o2)ccc1Cl ZINC000001084641 564183714 /nfs/dbraw/zinc/18/37/14/564183714.db2.gz SXKZCEXJHQZPQV-MDWZMJQESA-N -1 1 376.821 3.122 40 0 GGABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Br)c1)CC(=O)N2 ZINC000004944229 564209187 /nfs/dbraw/zinc/20/91/87/564209187.db2.gz YFOBEJBZRWQGOE-JTQLQIEISA-N -1 1 380.267 3.119 40 0 GGABMM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000005329208 564215758 /nfs/dbraw/zinc/21/57/58/564215758.db2.gz IHBYTEMMEQWXRW-UHFFFAOYSA-N -1 1 395.278 3.377 40 0 GGABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000008092085 564245516 /nfs/dbraw/zinc/24/55/16/564245516.db2.gz XNOSMMXZQFZYJK-UHFFFAOYSA-N -1 1 390.244 3.346 40 0 GGABMM CCOc1c(Br)cc(CNn2c(CC)n[n-]c2=S)cc1OC ZINC000008339005 564249155 /nfs/dbraw/zinc/24/91/55/564249155.db2.gz OJWKACZPFXNEHM-UHFFFAOYSA-N -1 1 387.303 3.417 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(Br)cc2)s1 ZINC000008935673 564251888 /nfs/dbraw/zinc/25/18/88/564251888.db2.gz VMWLCKUETVHJTL-GFCCVEGCSA-N -1 1 384.299 3.118 40 0 GGABMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000012525982 564268254 /nfs/dbraw/zinc/26/82/54/564268254.db2.gz OVQHTBPZYSYODS-UHFFFAOYSA-N -1 1 382.507 3.156 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1OC ZINC000013678021 564278603 /nfs/dbraw/zinc/27/86/03/564278603.db2.gz NFNIIJBXRXOVIY-UHFFFAOYSA-N -1 1 382.869 3.208 40 0 GGABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1 ZINC000016100842 564291795 /nfs/dbraw/zinc/29/17/95/564291795.db2.gz ZPQVKDRYWIBZRD-UHFFFAOYSA-N -1 1 389.445 3.409 40 0 GGABMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(Cl)cc1 ZINC000017360413 564298609 /nfs/dbraw/zinc/29/86/09/564298609.db2.gz AEMWFDQJDPKNAO-UHFFFAOYSA-N -1 1 380.853 3.082 40 0 GGABMM COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000026547421 564348113 /nfs/dbraw/zinc/34/81/13/564348113.db2.gz DKOUZCVPADOHML-UHFFFAOYSA-N -1 1 386.267 3.405 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1N1CCCC1=O ZINC000030853090 564385672 /nfs/dbraw/zinc/38/56/72/564385672.db2.gz FUNUROCGNSIRBD-UHFFFAOYSA-N -1 1 380.853 3.276 40 0 GGABMM Nc1nnc(COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)s1 ZINC000222641478 565906319 /nfs/dbraw/zinc/90/63/19/565906319.db2.gz UAUHPTIAECNPTM-UHFFFAOYSA-N -1 1 396.881 3.154 40 0 GGABMM COc1ccc(CN2CCCC[C@H]2c2cc3nc(C)cc(=O)n3[n-]2)c(OC)c1 ZINC000100768884 570277392 /nfs/dbraw/zinc/27/73/92/570277392.db2.gz QFTQIJRFDLSOCY-SFHVURJKSA-N -1 1 382.464 3.488 40 0 GGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000113946383 570335369 /nfs/dbraw/zinc/33/53/69/570335369.db2.gz CHCSMVGOXHLTHG-UHFFFAOYSA-N -1 1 392.477 3.033 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c2cccnc12 ZINC000223273456 570455311 /nfs/dbraw/zinc/45/53/11/570455311.db2.gz JLOAQDOYTXKCFH-UHFFFAOYSA-N -1 1 385.445 3.027 40 0 GGABMM Cc1ccc(-n2c(C)nc3nc(N4CCOCC4)[n-]c(=O)c3c2=S)c(C)c1 ZINC000040386863 570598967 /nfs/dbraw/zinc/59/89/67/570598967.db2.gz QAEZLZJPYYTXNI-UHFFFAOYSA-N -1 1 383.477 3.012 40 0 GGABMM Cc1cccc(C)c1-n1c(C)nc2nc(N3CCOCC3)[n-]c(=O)c2c1=S ZINC000040386861 570599069 /nfs/dbraw/zinc/59/90/69/570599069.db2.gz WZXVUGJOIQABJT-UHFFFAOYSA-N -1 1 383.477 3.012 40 0 GGABMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cc2ccccc2o1 ZINC000008734579 570681041 /nfs/dbraw/zinc/68/10/41/570681041.db2.gz JADVJBLGRSBFIU-UHFFFAOYSA-N -1 1 386.429 3.175 40 0 GGABMM COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(N)cc(=O)[n-]1)c1ccccc1 ZINC000013117767 570747006 /nfs/dbraw/zinc/74/70/06/570747006.db2.gz ZQKXKYZYUOHQPX-GOSISDBHSA-N -1 1 396.472 3.141 40 0 GGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000007055284 570756174 /nfs/dbraw/zinc/75/61/74/570756174.db2.gz MBKBNLDCZFLVAN-UHFFFAOYSA-N -1 1 391.445 3.216 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)N1CCCCC1 ZINC000007361438 570758195 /nfs/dbraw/zinc/75/81/95/570758195.db2.gz YOZXAEYOSCIIDF-UHFFFAOYSA-N -1 1 388.489 3.431 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCCC1 ZINC000008560538 570771298 /nfs/dbraw/zinc/77/12/98/570771298.db2.gz GXIODSSYXJOKFU-UHFFFAOYSA-N -1 1 392.452 3.261 40 0 GGABMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000007053670 570774546 /nfs/dbraw/zinc/77/45/46/570774546.db2.gz KGPLMLVPAVVYDP-UHFFFAOYSA-N -1 1 394.518 3.183 40 0 GGABMM COCCN1CCc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000033141649 570827771 /nfs/dbraw/zinc/82/77/71/570827771.db2.gz LFEKBCRMQSGRIF-UHFFFAOYSA-N -1 1 399.438 3.498 40 0 GGABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010363542 570850672 /nfs/dbraw/zinc/85/06/72/570850672.db2.gz PITHWJDCGVKSFS-UHFFFAOYSA-N -1 1 390.505 3.261 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000013585686 570852695 /nfs/dbraw/zinc/85/26/95/570852695.db2.gz IHLMXUVSDZUNOH-UHFFFAOYSA-N -1 1 390.486 3.143 40 0 GGABMM COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(-c3ccco3)n[nH]2)c1 ZINC000014152346 570877832 /nfs/dbraw/zinc/87/78/32/570877832.db2.gz COYHOTFFSGKJEL-UHFFFAOYSA-N -1 1 392.824 3.236 40 0 GGABMM Cc1n[nH]c(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000014404611 570890691 /nfs/dbraw/zinc/89/06/91/570890691.db2.gz ZAHGVUNDAAGIQQ-UHFFFAOYSA-N -1 1 384.461 3.388 40 0 GGABMM Cc1n[nH]c(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014404476 570890749 /nfs/dbraw/zinc/89/07/49/570890749.db2.gz TUCMHJNVFNGRBA-UHFFFAOYSA-N -1 1 384.461 3.388 40 0 GGABMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc2c(s1)CCCCCC2 ZINC000017114116 570927993 /nfs/dbraw/zinc/92/79/93/570927993.db2.gz BWUHTYHHMFCYMU-UHFFFAOYSA-N -1 1 375.494 3.307 40 0 GGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000192517195 570931755 /nfs/dbraw/zinc/93/17/55/570931755.db2.gz OROYZPODQSEXDT-UHFFFAOYSA-N -1 1 382.441 3.260 40 0 GGABMM O=C(C[C@H]1Sc2ccccc2NC1=O)[N-]C(=O)c1ccccc1C(F)(F)F ZINC000036610852 570943017 /nfs/dbraw/zinc/94/30/17/570943017.db2.gz ATQHRQJSUJFIRS-CQSZACIVSA-N -1 1 394.374 3.465 40 0 GGABMM O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ccc(Cl)cc1[O-] ZINC000585111063 570944434 /nfs/dbraw/zinc/94/44/34/570944434.db2.gz BVZFDXGOWQSTQQ-LJQANCHMSA-N -1 1 397.862 3.334 40 0 GGABMM O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(Cl)ccc1[O-] ZINC000585111139 570944926 /nfs/dbraw/zinc/94/49/26/570944926.db2.gz GCDAOPWTMJZAQP-LJQANCHMSA-N -1 1 397.862 3.334 40 0 GGABMM CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017791356 570949228 /nfs/dbraw/zinc/94/92/28/570949228.db2.gz YBUKMFGASJTQJC-UHFFFAOYSA-N -1 1 388.420 3.492 40 0 GGABMM CC(C)C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019086147 570956691 /nfs/dbraw/zinc/95/66/91/570956691.db2.gz RQCMMZIKPYYDBS-GOSISDBHSA-N -1 1 380.423 3.439 40 0 GGABMM COc1cc(C)ccc1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019133876 570958293 /nfs/dbraw/zinc/95/82/93/570958293.db2.gz ZMXSPPAKGPQXPA-INIZCTEOSA-N -1 1 376.460 3.138 40 0 GGABMM Cc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1C ZINC000012126894 570959509 /nfs/dbraw/zinc/95/95/09/570959509.db2.gz CASXHOIJDJTZGI-UHFFFAOYSA-N -1 1 377.448 3.319 40 0 GGABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012736537 570979418 /nfs/dbraw/zinc/97/94/18/570979418.db2.gz SRMLQLWAQIJGJF-INIZCTEOSA-N -1 1 388.489 3.013 40 0 GGABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)C1CCC1 ZINC000019402927 570982950 /nfs/dbraw/zinc/98/29/50/570982950.db2.gz ASZOEEBWAFFHHJ-IBGZPJMESA-N -1 1 392.434 3.171 40 0 GGABMM Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)c2cc(=O)[n-]c(-c3ccccn3)n2)c1C ZINC000019576918 571011569 /nfs/dbraw/zinc/01/15/69/571011569.db2.gz MIYIRBQMWBFQSS-AWEZNQCLSA-N -1 1 387.443 3.421 40 0 GGABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003097392 1398327072 /nfs/dbraw/zinc/32/70/72/1398327072.db2.gz JGMMYAZXVBMQQD-UHFFFAOYSA-N -1 1 378.409 3.288 40 0 GGABMM O=C1[N-]C(=S)S/C1=C/c1nn(Cc2ccccc2)cc1-c1cccnc1 ZINC000003554662 1398368156 /nfs/dbraw/zinc/36/81/56/1398368156.db2.gz SXPPPQBJDJNEHI-RQZCQDPDSA-N -1 1 378.482 3.482 40 0 GGABMM CCn1cc(C(=O)c2cc(OC)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000008217135 1398814475 /nfs/dbraw/zinc/81/44/75/1398814475.db2.gz UPNHADUOJBJMQW-UHFFFAOYSA-N -1 1 389.411 3.357 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2C)cc1 ZINC000017167898 1399275389 /nfs/dbraw/zinc/27/53/89/1399275389.db2.gz UMHPKOMBOFFQBJ-UHFFFAOYSA-N -1 1 395.484 3.429 40 0 GGABMM Cc1c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000133367679 1416882783 /nfs/dbraw/zinc/88/27/83/1416882783.db2.gz CJACMGRLJKGKPY-HNNXBMFYSA-N -1 1 385.489 3.030 40 0 GGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(O)c3)C(=O)[O-])n2)c1 ZINC000209154287 1433355741 /nfs/dbraw/zinc/35/57/41/1433355741.db2.gz IXFVZZIRSAEJQR-APSNUPSMSA-N -1 1 399.428 3.412 40 0 GGABMM Cc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1C(=O)[O-] ZINC000578636585 974859246 /nfs/dbraw/zinc/85/92/46/974859246.db2.gz YHIUIYHVSQEYLQ-UHFFFAOYSA-N -1 1 377.466 3.224 40 0 GGABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000408611487 231080328 /nfs/dbraw/zinc/08/03/28/231080328.db2.gz SKCCZOLFGIQRNL-FQEVSTJZSA-N -1 1 384.451 3.498 40 0 GGABMM O=C(Cn1cc(C=C2SC(=O)[N-]C2=O)c2ccccc21)N1CCCCCC1 ZINC000409136363 231170510 /nfs/dbraw/zinc/17/05/10/231170510.db2.gz SQKZYQIZPNTFEC-BOPFTXTBSA-N -1 1 383.473 3.368 40 0 GGABMM COc1cccc([N-]S(=O)(=O)c2ccc(I)cc2)c1 ZINC000005598758 209124474 /nfs/dbraw/zinc/12/44/74/209124474.db2.gz QOARZYLRLGSCRY-UHFFFAOYSA-N -1 1 389.214 3.101 40 0 GGABMM CC(C)OC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000095101326 209121311 /nfs/dbraw/zinc/12/13/11/209121311.db2.gz SPFIMOQUDAMQRY-TVTNDZMWSA-N -1 1 386.492 3.420 40 0 GGABMM O=C(C=C1SC(=O)[N-]C1=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000096905124 206301593 /nfs/dbraw/zinc/30/15/93/206301593.db2.gz ROHDPEDVLFFYSY-IZZDOVSWSA-N -1 1 379.850 3.193 40 0 GGABMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000008273506 206744972 /nfs/dbraw/zinc/74/49/72/206744972.db2.gz BSQDJDYZIYSVIS-UHFFFAOYSA-N -1 1 392.786 3.433 40 0 GGABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000012521036 206906806 /nfs/dbraw/zinc/90/68/06/206906806.db2.gz CVFUEVHOEOYJDR-IYBDPMFKSA-N -1 1 388.489 3.045 40 0 GGABMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(Cl)c2)cc1 ZINC000014097640 207010502 /nfs/dbraw/zinc/01/05/02/207010502.db2.gz GIKRJIWIUXACHV-UHFFFAOYSA-N -1 1 396.852 3.276 40 0 GGABMM O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)c1ccccc1-2 ZINC000017315440 207090195 /nfs/dbraw/zinc/09/01/95/207090195.db2.gz XYHFOCVVLDYSPO-ZPUOCTKUSA-N -1 1 390.317 3.014 40 0 GGABMM O=C(NCCOc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000017850404 207091349 /nfs/dbraw/zinc/09/13/49/207091349.db2.gz PFAZRSSUZVWWIK-UHFFFAOYSA-N -1 1 396.468 3.296 40 0 GGABMM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)C1CCCC1 ZINC000019369407 207118479 /nfs/dbraw/zinc/11/84/79/207118479.db2.gz GBMFKIKIWLHLLL-HXUWFJFHSA-N -1 1 388.471 3.422 40 0 GGABMM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)C1CCC1 ZINC000019402924 207122413 /nfs/dbraw/zinc/12/24/13/207122413.db2.gz ASZOEEBWAFFHHJ-LJQANCHMSA-N -1 1 392.434 3.171 40 0 GGABMM CSCC[C@@H](NC(=O)C1CCCCC1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019573883 207137843 /nfs/dbraw/zinc/13/78/43/207137843.db2.gz HUYBKSJFXPDHQA-OAHLLOKOSA-N -1 1 386.521 3.323 40 0 GGABMM O=C(NC[C@H]1CCCO1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020048694 207176236 /nfs/dbraw/zinc/17/62/36/207176236.db2.gz OKUQVFOHXNYNIW-CQSZACIVSA-N -1 1 394.880 3.050 40 0 GGABMM COc1cc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c(OC)cc1Cl ZINC000019937321 207171782 /nfs/dbraw/zinc/17/17/82/207171782.db2.gz USYIVVOWCPXJLS-UHFFFAOYSA-N -1 1 385.807 3.360 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000020494367 207199306 /nfs/dbraw/zinc/19/93/06/207199306.db2.gz PCGIZGUYKQVFGC-UHFFFAOYSA-N -1 1 380.853 3.276 40 0 GGABMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c(C)s1 ZINC000024583693 207291400 /nfs/dbraw/zinc/29/14/00/207291400.db2.gz PLQZNDLGEPTBBN-UHFFFAOYSA-N -1 1 380.491 3.107 40 0 GGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000028195718 207335329 /nfs/dbraw/zinc/33/53/29/207335329.db2.gz UDAXRPFFJQRPAT-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM COc1ccc(OC)c(COc2ccc([C@@H]3NC[C@@H](C(=O)[O-])S3)cc2)c1 ZINC000408975362 532965513 /nfs/dbraw/zinc/96/55/13/532965513.db2.gz ASPHDKYBAPAOKN-ZWKOTPCHSA-N -1 1 375.446 3.071 40 0 GGABMM COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408624579 532992590 /nfs/dbraw/zinc/99/25/90/532992590.db2.gz SXCLJMLNIRGIAU-HNNXBMFYSA-N -1 1 390.505 3.177 40 0 GGABMM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc3c2N(CCC3)C1=O ZINC000101079057 208384567 /nfs/dbraw/zinc/38/45/67/208384567.db2.gz IJJNTMXTHSOLAB-JTQLQIEISA-N -1 1 378.400 3.162 40 0 GGABMM O=C(c1cccs1)C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C([O-])=C12 ZINC000100354878 208376459 /nfs/dbraw/zinc/37/64/59/208376459.db2.gz BKMYABOKFHARBC-FZMZJTMJSA-N -1 1 395.223 3.182 40 0 GGABMM CCOc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(CC)c3cc2C)cc1 ZINC000223355968 208899513 /nfs/dbraw/zinc/89/95/13/208899513.db2.gz ASZLZPKTMFOMDE-UHFFFAOYSA-N -1 1 376.434 3.122 40 0 GGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 ZINC000225692696 208968523 /nfs/dbraw/zinc/96/85/23/208968523.db2.gz XSCOCMZAXRLJOB-UHFFFAOYSA-N -1 1 378.475 3.282 40 0 GGABMM O=C([O-])c1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000096112216 209008702 /nfs/dbraw/zinc/00/87/02/209008702.db2.gz QEXLZDITYIUFNM-QAPCUYQASA-N -1 1 387.386 3.139 40 0 biogenic,in-vitro GGABMM COc1ccc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000408609081 533304888 /nfs/dbraw/zinc/30/48/88/533304888.db2.gz NSUKOINYZWADGW-HXUWFJFHSA-N -1 1 382.460 3.059 40 0 GGABMM COC(=O)c1ccc(Cn2cc(C=C3SC(=O)[N-]C3=O)c3ccccc32)o1 ZINC000409393257 534164357 /nfs/dbraw/zinc/16/43/57/534164357.db2.gz PKOVSASKXJSEQJ-LZYBPNLTSA-N -1 1 382.397 3.393 40 0 GGABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000408713020 529111963 /nfs/dbraw/zinc/11/19/63/529111963.db2.gz GQDPMWNKGPYSCA-UHFFFAOYSA-N -1 1 386.433 3.446 40 0 GGABMM COc1ccc2nc(C[C@H]3CN(C(=O)C4CCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289706 560031789 /nfs/dbraw/zinc/03/17/89/560031789.db2.gz YVIRFMXDCVGJNE-HOTGVXAUSA-N -1 1 399.491 3.244 40 0 biogenic,in-vitro GGABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)CC(=O)N2 ZINC000004944249 564209177 /nfs/dbraw/zinc/20/91/77/564209177.db2.gz BWWMBKKOJSTMTI-JTQLQIEISA-N -1 1 380.267 3.119 40 0 GGABMM Cc1nnc(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])[nH]1 ZINC000006328688 564222296 /nfs/dbraw/zinc/22/22/96/564222296.db2.gz FCAKSYHTWLICJN-GHXNOFRVSA-N -1 1 383.271 3.159 40 0 GGABMM Cc1nc(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])n[nH]1 ZINC000006328688 564222298 /nfs/dbraw/zinc/22/22/98/564222298.db2.gz FCAKSYHTWLICJN-GHXNOFRVSA-N -1 1 383.271 3.159 40 0 GGABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000007343010 564236140 /nfs/dbraw/zinc/23/61/40/564236140.db2.gz OSBFORVVRIMWPN-UHFFFAOYSA-N -1 1 376.438 3.072 40 0 GGABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1ccc(Cl)nc1 ZINC000008471855 564249926 /nfs/dbraw/zinc/24/99/26/564249926.db2.gz ALYJEQFQMAWQQP-UHFFFAOYSA-N -1 1 377.857 3.320 40 0 GGABMM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1ccc(F)c(F)c1F ZINC000010757312 564260227 /nfs/dbraw/zinc/26/02/27/564260227.db2.gz XGSRLORZAXALLI-UHFFFAOYSA-N -1 1 385.285 3.481 40 0 GGABMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cc(C)c(Cl)cc2OC)s1 ZINC000022195125 564315080 /nfs/dbraw/zinc/31/50/80/564315080.db2.gz TZXWYSOALUJYPY-AWEZNQCLSA-N -1 1 383.901 3.325 40 0 GGABMM COc1cc(Cl)c(C)cc1NC(=O)Cc1sc(N2CCCC2)nc1[O-] ZINC000022195221 564315325 /nfs/dbraw/zinc/31/53/25/564315325.db2.gz MVYKSZCAZHJOQV-AWEZNQCLSA-N -1 1 381.885 3.079 40 0 GGABMM COCCOc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1OC ZINC000024955443 564334701 /nfs/dbraw/zinc/33/47/01/564334701.db2.gz FJHBBDFTCCWDCO-UHFFFAOYSA-N -1 1 385.869 3.483 40 0 GGABMM O=S(=O)([N-]C[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1Br ZINC000054363510 564603540 /nfs/dbraw/zinc/60/35/40/564603540.db2.gz XLSJFYQGVVGZRH-SSDOTTSWSA-N -1 1 389.098 3.213 40 0 GGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000064946746 564736344 /nfs/dbraw/zinc/73/63/44/564736344.db2.gz GWNVXEODMRAUSF-UHFFFAOYSA-N -1 1 388.392 3.420 40 0 GGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000223288484 565907771 /nfs/dbraw/zinc/90/77/71/565907771.db2.gz JOJGRTBVKPGIIA-NYYWCZLTSA-N -1 1 395.278 3.009 40 0 GGABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3cccc(SC)c3)cc2oc1=O ZINC000223356720 565908990 /nfs/dbraw/zinc/90/89/90/565908990.db2.gz IXQPBQCVVLGRAF-UHFFFAOYSA-N -1 1 378.475 3.446 40 0 GGABMM CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072014 565909805 /nfs/dbraw/zinc/90/98/05/565909805.db2.gz NHEJYOXRTZMNJR-UHFFFAOYSA-N -1 1 382.869 3.289 40 0 GGABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1NC(C)=O ZINC000225582181 565915360 /nfs/dbraw/zinc/91/53/60/565915360.db2.gz DGZAJBWZWYLACZ-UHFFFAOYSA-N -1 1 378.475 3.370 40 0 GGABMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)C2 ZINC000227116542 565922465 /nfs/dbraw/zinc/92/24/65/565922465.db2.gz CXVKZGMJDTWKEB-UHFFFAOYSA-N -1 1 395.278 3.144 40 0 GGABMM CCc1ccc([C@@H](C)NC(=O)Cc2c(C)nc(-c3ccccn3)[n-]c2=O)cc1 ZINC000048222826 570221163 /nfs/dbraw/zinc/22/11/63/570221163.db2.gz JJMUQFKCGHMLJB-CQSZACIVSA-N -1 1 376.460 3.123 40 0 GGABMM O=C(C=Cc1ccccc1)N1CCC[C@H]1c1nccnc1[N-]c1nccs1 ZINC000585291410 570260308 /nfs/dbraw/zinc/26/03/08/570260308.db2.gz CITSOAQNJOMIIS-FDMDGMSGSA-N -1 1 377.473 3.476 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCc3ccccn3)c2)cc1 ZINC000014902104 570274443 /nfs/dbraw/zinc/27/44/43/570274443.db2.gz PULLDAWKEVBMCZ-UHFFFAOYSA-N -1 1 398.440 3.248 40 0 GGABMM Cc1c(CC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)oc2cc(O)cc([O-])c12 ZINC000008764634 570328063 /nfs/dbraw/zinc/32/80/63/570328063.db2.gz BLGGYZYVZPSTOV-XMHCIUCPSA-N -1 1 385.460 3.482 40 0 GGABMM O=S(=O)(Cc1ccccc1F)[N-]Cc1nc(C2CCC(F)(F)CC2)no1 ZINC000575606001 570330339 /nfs/dbraw/zinc/33/03/39/570330339.db2.gz CFUKHZKUVAZFOI-UHFFFAOYSA-N -1 1 389.399 3.121 40 0 GGABMM O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C([O-])=C12)c1ccccc1 ZINC000003848939 570351980 /nfs/dbraw/zinc/35/19/80/570351980.db2.gz FNTIWPRXWGGWGR-CJNGLKHVSA-N -1 1 389.194 3.121 40 0 GGABMM COc1ccc(NC(=O)COc2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000015056267 570394426 /nfs/dbraw/zinc/39/44/26/570394426.db2.gz LUJUBRDWTQORFY-YBEGLDIGSA-N -1 1 384.413 3.037 40 0 GGABMM O=C(Nc1ccc2c(c1)OCO2)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000005184665 570431009 /nfs/dbraw/zinc/43/10/09/570431009.db2.gz FKTNMGRIAKMEMS-UHFFFAOYSA-N -1 1 396.424 3.468 40 0 GGABMM CC(=O)Nc1cccc(NC(=O)Cc2n[n-]c(=S)n2Cc2ccccc2)c1 ZINC000016644132 570458185 /nfs/dbraw/zinc/45/81/85/570458185.db2.gz SJJDIDROOKFDRG-UHFFFAOYSA-N -1 1 381.461 3.129 40 0 GGABMM CCn1c2cc(C)c(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2oc1=O ZINC000223356625 570461329 /nfs/dbraw/zinc/46/13/29/570461329.db2.gz VWHNSLMIULJHBU-UHFFFAOYSA-N -1 1 396.852 3.386 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000223826830 570485804 /nfs/dbraw/zinc/48/58/04/570485804.db2.gz ZLFKAYGNRHIGRR-UHFFFAOYSA-N -1 1 397.836 3.104 40 0 GGABMM COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223917792 570490235 /nfs/dbraw/zinc/49/02/35/570490235.db2.gz OPHHZKNMVUFKFV-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223984028 570492730 /nfs/dbraw/zinc/49/27/30/570492730.db2.gz JXHVPWZBXQSSTI-AWEZNQCLSA-N -1 1 376.478 3.414 40 0 GGABMM CCC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224041578 570495824 /nfs/dbraw/zinc/49/58/24/570495824.db2.gz VGWDMVBYHSUNOV-AWEZNQCLSA-N -1 1 376.478 3.414 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000224038282 570495996 /nfs/dbraw/zinc/49/59/96/570495996.db2.gz KOZWNROAWBODAP-UHFFFAOYSA-N -1 1 388.489 3.368 40 0 GGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1C ZINC000224893931 570536868 /nfs/dbraw/zinc/53/68/68/570536868.db2.gz DOQPTNAEPGDXAN-UHFFFAOYSA-N -1 1 389.351 3.481 40 0 GGABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225082430 570547598 /nfs/dbraw/zinc/54/75/98/570547598.db2.gz MSNXXIDINLQSBE-UHFFFAOYSA-N -1 1 386.473 3.483 40 0 GGABMM COc1c2c(cc3c1[C@@H](c1c(=O)[nH][n-]c1-c1ccccc1)N(C)CC3)OCO2 ZINC000035254162 570550808 /nfs/dbraw/zinc/55/08/08/570550808.db2.gz IIUOGHLQZPQSIP-SFHVURJKSA-N -1 1 379.416 3.097 40 0 GGABMM Cc1ccc(NC(=S)c2c(N)nc(N3CCc4ccccc4C3)[n-]c2=O)cc1 ZINC000040385568 570598610 /nfs/dbraw/zinc/59/86/10/570598610.db2.gz OGBIEMKODJDHJW-UHFFFAOYSA-N -1 1 391.500 3.011 40 0 GGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2sc1=O ZINC000225723561 570609424 /nfs/dbraw/zinc/60/94/24/570609424.db2.gz QFGZLNOGYNMJIQ-UHFFFAOYSA-N -1 1 392.458 3.003 40 0 GGABMM O=C(NC[C@@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044900656 570640446 /nfs/dbraw/zinc/64/04/46/570640446.db2.gz GCKHYZBFTQJMET-AWEZNQCLSA-N -1 1 394.880 3.050 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)cc1 ZINC000050534024 570667093 /nfs/dbraw/zinc/66/70/93/570667093.db2.gz YPTAUOURZLMTPF-UHFFFAOYSA-N -1 1 376.478 3.190 40 0 GGABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc[nH]3)c2)c1 ZINC000005601528 570667557 /nfs/dbraw/zinc/66/75/57/570667557.db2.gz DDIRJCSXRJPZIW-UHFFFAOYSA-N -1 1 398.440 3.164 40 0 GGABMM O=C(NC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1)c1ccc(F)cc1 ZINC000025212862 570741320 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O=C(Cc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000036618213 570759389 /nfs/dbraw/zinc/75/93/89/570759389.db2.gz NPPJQNMIBREYPD-UHFFFAOYSA-N -1 1 394.880 3.011 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccnc3)cc2C)cc1 ZINC000013678827 570772705 /nfs/dbraw/zinc/77/27/05/570772705.db2.gz NPFKJHZYXJCVIK-UHFFFAOYSA-N -1 1 395.484 3.429 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000013680753 570772941 /nfs/dbraw/zinc/77/29/41/570772941.db2.gz MTBPBHBHSWEVAN-QGZVFWFLSA-N -1 1 388.489 3.013 40 0 GGABMM CC(C)(C)C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000005824742 570794780 /nfs/dbraw/zinc/79/47/80/570794780.db2.gz UEVOYVJKSZXJNO-UHFFFAOYSA-N -1 1 393.436 3.399 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012520943 570827443 /nfs/dbraw/zinc/82/74/43/570827443.db2.gz KAUJDWWUJRXRFU-HOTGVXAUSA-N -1 1 388.489 3.045 40 0 GGABMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000012535957 570835653 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CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000019936442 210308913 /nfs/dbraw/zinc/30/89/13/210308913.db2.gz NYLHRKLOHHRMFM-UHFFFAOYSA-N -1 1 390.417 3.291 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2oc1=O ZINC000019936784 210308650 /nfs/dbraw/zinc/30/86/50/210308650.db2.gz JUTBABQDCIPZRX-UHFFFAOYSA-N -1 1 386.351 3.434 40 0 GGABMM Cc1cccc(N2CCN(C(=O)c3cnc(-c4ccccc4)[n-]c3=O)CC2)c1C ZINC000019937331 210308111 /nfs/dbraw/zinc/30/81/11/210308111.db2.gz RWGHKEYZLKELPT-UHFFFAOYSA-N -1 1 388.471 3.016 40 0 GGABMM CN(C)c1ncccc1CN1CCCC[C@@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019584122 210270501 /nfs/dbraw/zinc/27/05/01/210270501.db2.gz XZSSQLCWTMJHIU-LJQANCHMSA-N -1 1 390.491 3.432 40 0 GGABMM CCn1cnc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)ccc21 ZINC000019578326 210270064 /nfs/dbraw/zinc/27/00/64/210270064.db2.gz OLXBCWIHBJUGCY-UHFFFAOYSA-N -1 1 398.488 3.156 40 0 GGABMM CN(C)c1ncccc1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019584125 210269962 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3.420 40 0 GGABMM COc1ccccc1C(=O)N1CCN([C@H](CCC(=O)[O-])c2ccc(C)cc2)CC1 ZINC000408613105 533967451 /nfs/dbraw/zinc/96/74/51/533967451.db2.gz XLKLTBVHTBQTOX-HXUWFJFHSA-N -1 1 396.487 3.368 40 0 GGABMM Cc1sc(NC(=O)CSc2nc(O)cc(=O)[n-]2)nc1-c1ccc(C)cc1 ZINC000409410913 534612324 /nfs/dbraw/zinc/61/23/24/534612324.db2.gz AIOXPWUXWCUYCY-UHFFFAOYSA-N -1 1 388.474 3.359 40 0 GGABMM CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408595871 526313591 /nfs/dbraw/zinc/31/35/91/526313591.db2.gz VQPPVECYLYAPMH-UHFFFAOYSA-N -1 1 396.896 3.434 40 0 GGABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c1 ZINC000408583940 527369564 /nfs/dbraw/zinc/36/95/64/527369564.db2.gz KSNYLVFHKLTZDD-UHFFFAOYSA-N -1 1 388.489 3.384 40 0 GGABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c1 ZINC000408584333 527369878 /nfs/dbraw/zinc/36/98/78/527369878.db2.gz OEZSMOISYCKPQT-UHFFFAOYSA-N -1 1 389.477 3.468 40 0 GGABMM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408590069 528029149 /nfs/dbraw/zinc/02/91/49/528029149.db2.gz IXKXNCONQOKXEC-UHFFFAOYSA-N -1 1 396.896 3.388 40 0 GGABMM CCCOC(=O)c1cc(NC(=O)CSc2nccc(=O)[n-]2)ccc1Cl ZINC000408544407 528579243 /nfs/dbraw/zinc/57/92/43/528579243.db2.gz IMSFKTJSROQLNT-UHFFFAOYSA-N -1 1 381.841 3.133 40 0 GGABMM CCOCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000409411715 528688685 /nfs/dbraw/zinc/68/86/85/528688685.db2.gz KJPRKAMTYPMDQF-UHFFFAOYSA-N -1 1 390.505 3.261 40 0 GGABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OC)c2)ccc1OC ZINC000408585050 529107320 /nfs/dbraw/zinc/10/73/20/529107320.db2.gz BFZNWCMSDGAROB-UHFFFAOYSA-N -1 1 380.422 3.073 40 0 GGABMM CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408586821 529160293 /nfs/dbraw/zinc/16/02/93/529160293.db2.gz CARCSJIPACSCRG-ZDUSSCGKSA-N -1 1 396.896 3.434 40 0 GGABMM CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408586819 529364435 /nfs/dbraw/zinc/36/44/35/529364435.db2.gz CARCSJIPACSCRG-CYBMUJFWSA-N -1 1 396.896 3.434 40 0 GGABMM COC(=O)c1cc(OC)c(Cl)c(O)c1Oc1cc(C)cc(O)c1C(=O)[O-] ZINC000001485315 560180685 /nfs/dbraw/zinc/18/06/85/560180685.db2.gz CAXGJVQIPWBEJY-UHFFFAOYSA-N -1 1 382.752 3.345 40 0 biogenic,in-vitro GGABMM CCc1nc(SCC(=O)Nc2ccccc2Br)[n-]c(=O)c1C ZINC000004861221 564208632 /nfs/dbraw/zinc/20/86/32/564208632.db2.gz LJSBLTQICIWQHT-UHFFFAOYSA-N -1 1 382.283 3.134 40 0 GGABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Br)c1)CC(=O)N2 ZINC000004944228 564209427 /nfs/dbraw/zinc/20/94/27/564209427.db2.gz YFOBEJBZRWQGOE-SNVBAGLBSA-N -1 1 380.267 3.119 40 0 GGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000004884343 564209526 /nfs/dbraw/zinc/20/95/26/564209526.db2.gz HKTVDQWNNNXCBT-UHFFFAOYSA-N -1 1 395.278 3.159 40 0 GGABMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000006316450 564222273 /nfs/dbraw/zinc/22/22/73/564222273.db2.gz DSAQDEMTYJKFSG-UHFFFAOYSA-N -1 1 390.230 3.406 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1Br ZINC000007052387 564232204 /nfs/dbraw/zinc/23/22/04/564232204.db2.gz IKFDAEZSJBZMEC-UHFFFAOYSA-N -1 1 384.251 3.461 40 0 GGABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000007708145 564239794 /nfs/dbraw/zinc/23/97/94/564239794.db2.gz VZDKDFCNFPLKDS-UHFFFAOYSA-N -1 1 395.278 3.377 40 0 GGABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Br)c1OC ZINC000008338997 564249207 /nfs/dbraw/zinc/24/92/07/564249207.db2.gz IRFIRNXMUPOZJC-UHFFFAOYSA-N -1 1 387.303 3.417 40 0 GGABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)cc(Cl)c1OC ZINC000008469890 564249874 /nfs/dbraw/zinc/24/98/74/564249874.db2.gz RINZXXMITVSALI-UHFFFAOYSA-N -1 1 377.857 3.417 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl ZINC000012199990 564267342 /nfs/dbraw/zinc/26/73/42/564267342.db2.gz SIELQSCXDOHZJL-UHFFFAOYSA-N -1 1 378.837 3.103 40 0 GGABMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526412 564268230 /nfs/dbraw/zinc/26/82/30/564268230.db2.gz WKRRYZVCKFACAE-UHFFFAOYSA-N -1 1 395.278 3.142 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1Cl ZINC000032588844 564402604 /nfs/dbraw/zinc/40/26/04/564402604.db2.gz WTVKZJGVRNELDE-UHFFFAOYSA-N -1 1 380.853 3.276 40 0 GGABMM O=C([N-]c1nc(S(=O)(=O)Cc2ccc(Cl)cc2)ns1)c1ccco1 ZINC000036626373 564417289 /nfs/dbraw/zinc/41/72/89/564417289.db2.gz IALXGWYNRPNYLH-UHFFFAOYSA-N -1 1 383.838 3.011 40 0 GGABMM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl ZINC000040072372 564425453 /nfs/dbraw/zinc/42/54/53/564425453.db2.gz YGFYROYJHBLRPR-UHFFFAOYSA-N -1 1 382.869 3.275 40 0 GGABMM O=S(=O)([N-]C[C@H]1CCCO1)c1cc(Cl)c(Br)cc1Cl ZINC000054363475 564603169 /nfs/dbraw/zinc/60/31/69/564603169.db2.gz JSMBFSMQOFSIDI-SSDOTTSWSA-N -1 1 389.098 3.213 40 0 GGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000064475393 564730471 /nfs/dbraw/zinc/73/04/71/564730471.db2.gz WAJPVSQISPDCSE-UHFFFAOYSA-N -1 1 376.503 3.445 40 0 GGABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000097990458 564911264 /nfs/dbraw/zinc/91/12/64/564911264.db2.gz QUSHNSVDSOEBQA-GMROUXNLSA-N -1 1 380.491 3.270 40 0 GGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000223270287 565907157 /nfs/dbraw/zinc/90/71/57/565907157.db2.gz PTENFYRHLOSERQ-UHFFFAOYSA-N -1 1 383.267 3.233 40 0 GGABMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc4sncc4c3)ccc21 ZINC000223031872 565907689 /nfs/dbraw/zinc/90/76/89/565907689.db2.gz RUMMYTIUCWVXBO-UHFFFAOYSA-N -1 1 375.431 3.025 40 0 GGABMM Cc1csc([N-]c2nccnc2[C@@H]2CCCN(C(=O)C=Cc3ccco3)C2)n1 ZINC000585292939 570261985 /nfs/dbraw/zinc/26/19/85/570261985.db2.gz UNEORXCXHQWLGU-LQYUOIDQSA-N -1 1 395.488 3.419 40 0 GGABMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)CCC2 ZINC000006923195 570298324 /nfs/dbraw/zinc/29/83/24/570298324.db2.gz GJHIKQJMNNMGGA-UHFFFAOYSA-N -1 1 392.908 3.466 40 0 GGABMM O=C([O-])CCCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575420761 570306898 /nfs/dbraw/zinc/30/68/98/570306898.db2.gz KKUWROHJHUBWLN-IBGZPJMESA-N -1 1 387.501 3.130 40 0 GGABMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(=O)n(-c2ccccc2)n1C ZINC000016099534 570316198 /nfs/dbraw/zinc/31/61/98/570316198.db2.gz LFFBLPDLMQJWAR-UHFFFAOYSA-N -1 1 395.843 3.078 40 0 GGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000022517953 570319627 /nfs/dbraw/zinc/31/96/27/570319627.db2.gz RPXIYWNFRDIMBL-UHFFFAOYSA-N -1 1 390.461 3.022 40 0 GGABMM CCOC(=O)c1sc2[n-]c([C@H](C)OC(=O)[C@@H]3CC=CCC3)nc(=O)c2c1C ZINC000006291465 570363699 /nfs/dbraw/zinc/36/36/99/570363699.db2.gz IYAASOFNBIIEJG-NWDGAFQWSA-N -1 1 390.461 3.430 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1OCC ZINC000007360983 570424068 /nfs/dbraw/zinc/42/40/68/570424068.db2.gz RVARCWWOPWLZFL-UHFFFAOYSA-N -1 1 381.450 3.302 40 0 GGABMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(COc3ccccc3)c2)c1 ZINC000072264756 570427770 /nfs/dbraw/zinc/42/77/70/570427770.db2.gz WVWAGZCKXKZVAZ-UHFFFAOYSA-N -1 1 396.468 3.426 40 0 GGABMM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc3c2N(CCC3)C1=O ZINC000005153911 570429272 /nfs/dbraw/zinc/42/92/72/570429272.db2.gz IJJNTMXTHSOLAB-SNVBAGLBSA-N -1 1 378.400 3.162 40 0 GGABMM Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1OCC(=O)N(C)C ZINC000223243821 570452404 /nfs/dbraw/zinc/45/24/04/570452404.db2.gz ASAASOQTTYRHDV-UHFFFAOYSA-N -1 1 398.484 3.416 40 0 GGABMM COC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223413371 570464991 /nfs/dbraw/zinc/46/49/91/570464991.db2.gz MVEOSKFUMVWFIT-CQSZACIVSA-N -1 1 392.477 3.029 40 0 GGABMM CCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223417230 570465483 /nfs/dbraw/zinc/46/54/83/570465483.db2.gz VLHUFJARWOIEQY-UHFFFAOYSA-N -1 1 392.477 3.495 40 0 GGABMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223669202 570477890 /nfs/dbraw/zinc/47/78/90/570477890.db2.gz NELPFZYCRDLKRV-UHFFFAOYSA-N -1 1 388.489 3.293 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000223981892 570492849 /nfs/dbraw/zinc/49/28/49/570492849.db2.gz APKUXHNIGLOIOG-UHFFFAOYSA-N -1 1 386.429 3.019 40 0 GGABMM O=C(NCCCc1ccco1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224026587 570495410 /nfs/dbraw/zinc/49/54/10/570495410.db2.gz KIDUGKWSVSADNB-UHFFFAOYSA-N -1 1 384.457 3.443 40 0 GGABMM CCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224045066 570495766 /nfs/dbraw/zinc/49/57/66/570495766.db2.gz RCLZWHYHHVZIHD-UHFFFAOYSA-N -1 1 376.478 3.414 40 0 GGABMM CCC(CC)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224045801 570495984 /nfs/dbraw/zinc/49/59/84/570495984.db2.gz NWVVSDKRLNJIEW-UHFFFAOYSA-N -1 1 376.478 3.414 40 0 GGABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000007055159 570500595 /nfs/dbraw/zinc/50/05/95/570500595.db2.gz HZQVSOCEPDQZLB-UHFFFAOYSA-N -1 1 396.534 3.135 40 0 GGABMM COc1c2c(cc3c1[C@H](c1c(=O)[nH][n-]c1-c1ccccc1)N(C)CC3)OCO2 ZINC000035254160 570550660 /nfs/dbraw/zinc/55/06/60/570550660.db2.gz IIUOGHLQZPQSIP-GOSISDBHSA-N -1 1 379.416 3.097 40 0 GGABMM CCc1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[n-]c(=O)c1C ZINC000035312326 570551606 /nfs/dbraw/zinc/55/16/06/570551606.db2.gz XUSLNYBEPBRWGL-UHFFFAOYSA-N -1 1 386.502 3.495 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1OC ZINC000010008919 570564463 /nfs/dbraw/zinc/56/44/63/570564463.db2.gz JSSZPVOTVXGBDV-UHFFFAOYSA-N -1 1 376.478 3.369 40 0 GGABMM CCOCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038772282 570583074 /nfs/dbraw/zinc/58/30/74/570583074.db2.gz QPBRHGBSEFHCDS-UHFFFAOYSA-N -1 1 396.896 3.297 40 0 GGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)cc2sc1=O ZINC000225726228 570609189 /nfs/dbraw/zinc/60/91/89/570609189.db2.gz LCLNAJQDHAVFCQ-UHFFFAOYSA-N -1 1 390.486 3.476 40 0 GGABMM CC(=O)Oc1ccc(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)cc1 ZINC000012142904 570615037 /nfs/dbraw/zinc/61/50/37/570615037.db2.gz IFNZILJZRZGTOJ-UHFFFAOYSA-N -1 1 394.475 3.216 40 0 GGABMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044848311 570635618 /nfs/dbraw/zinc/63/56/18/570635618.db2.gz WCQBWHWTFSKRFD-UHFFFAOYSA-N -1 1 396.896 3.216 40 0 GGABMM CC(=O)Nc1cccc(C(=O)OCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000004928088 570649349 /nfs/dbraw/zinc/64/93/49/570649349.db2.gz NESQYZCRIKNXPT-UHFFFAOYSA-N -1 1 396.443 3.056 40 0 GGABMM O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156270 570653226 /nfs/dbraw/zinc/65/32/26/570653226.db2.gz YRBLSBQLFZWXBM-UHFFFAOYSA-N -1 1 380.469 3.460 40 0 GGABMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000060333283 570663407 /nfs/dbraw/zinc/66/34/07/570663407.db2.gz GOFJTRWXETZYLI-PXNSSMCTSA-N -1 1 382.460 3.266 40 0 GGABMM C[C@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000017946340 570720088 /nfs/dbraw/zinc/72/00/88/570720088.db2.gz XJUSSBQDDBGNPV-LBPRGKRZSA-N -1 1 382.445 3.264 40 0 GGABMM COc1ccc(C(=O)Oc2ccc(C=C3SC(=O)[N-]C3=O)cc2OC)cc1 ZINC000007154781 570755996 /nfs/dbraw/zinc/75/59/96/570755996.db2.gz XETZMXWYPIQZNR-YBEGLDIGSA-N -1 1 385.397 3.247 40 0 GGABMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cn3ccccc3n2)c1 ZINC000022024447 570777751 /nfs/dbraw/zinc/77/77/51/570777751.db2.gz GLCIATCKLDTCBQ-UHFFFAOYSA-N -1 1 392.488 3.270 40 0 GGABMM O=c1[n-]c(CNc2ccc(F)cc2)nc2c1nnn2Cc1ccccc1Cl ZINC000012492098 570807622 /nfs/dbraw/zinc/80/76/22/570807622.db2.gz BGZLKTSIRWQAMN-UHFFFAOYSA-N -1 1 384.802 3.380 40 0 GGABMM Cc1ccc(C(=O)NCCCOC(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314216 570827310 /nfs/dbraw/zinc/82/73/10/570827310.db2.gz VEJABXVQYXDYHS-UHFFFAOYSA-N -1 1 390.505 3.341 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000012520940 570827569 /nfs/dbraw/zinc/82/75/69/570827569.db2.gz KAUJDWWUJRXRFU-HZPDHXFCSA-N -1 1 388.489 3.045 40 0 GGABMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)NC1CCCCC1 ZINC000016851337 570915337 /nfs/dbraw/zinc/91/53/37/570915337.db2.gz MXNITRIIDCHVJV-UHFFFAOYSA-N -1 1 375.469 3.193 40 0 GGABMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163756 570968383 /nfs/dbraw/zinc/96/83/83/570968383.db2.gz SHNBOUGTFVGPKS-CPUCHLNUSA-N -1 1 398.768 3.444 40 0 GGABMM O=C1N[C@@H](c2ccccc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163759 1398381300 /nfs/dbraw/zinc/38/13/00/1398381300.db2.gz SHNBOUGTFVGPKS-ZQIUZPCESA-N -1 1 398.768 3.444 40 0 GGABMM O=C1N[C@@H](c2ccccc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163757 1398381670 /nfs/dbraw/zinc/38/16/70/1398381670.db2.gz SHNBOUGTFVGPKS-KEYYUXOJSA-N -1 1 398.768 3.444 40 0 GGABMM Cc1cc(C)c([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c(C)c1 ZINC000005516137 1398451281 /nfs/dbraw/zinc/45/12/81/1398451281.db2.gz QJSCIXZYJLGYJK-UHFFFAOYSA-N -1 1 394.452 3.449 40 0 GGABMM COc1cc(C=NN=c2[nH]c3ccccc3n2C)cc(Cl)c1OCC(=O)[O-] ZINC000007343336 1398656824 /nfs/dbraw/zinc/65/68/24/1398656824.db2.gz BMUPMLGVQLGMQU-AWQFTUOYSA-N -1 1 388.811 3.145 40 0 GGABMM CCc1ccc(-c2nc(SCC(=O)[N-]C(=O)c3ccccc3OC)n[nH]2)cc1 ZINC000008429455 1398831517 /nfs/dbraw/zinc/83/15/17/1398831517.db2.gz BXXGFLCDIGIUTA-UHFFFAOYSA-N -1 1 396.472 3.091 40 0 GGABMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 ZINC000013112273 1399074234 /nfs/dbraw/zinc/07/42/34/1399074234.db2.gz SOVVFFGTZKGMFZ-UHFFFAOYSA-N -1 1 397.504 3.256 40 0 GGABMM Cc1ccc(C(=O)Nc2sc(Cc3nn[n-]n3)nc2-c2ccccc2)cc1 ZINC000027562556 1424256203 /nfs/dbraw/zinc/25/62/03/1424256203.db2.gz YXPWBJYZUIPAGS-UHFFFAOYSA-N -1 1 376.445 3.475 40 0 GGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccccc3O)C(=O)[O-])n2)c1 ZINC000209154235 1433355728 /nfs/dbraw/zinc/35/57/28/1433355728.db2.gz TVYMRBKBMYLDKE-SXGWCWSVSA-N -1 1 399.428 3.412 40 0 GGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(O)cc3)C(=O)[O-])n2)c1 ZINC000209154183 1433355763 /nfs/dbraw/zinc/35/57/63/1433355763.db2.gz CWUSKWMKRXEHOH-APSNUPSMSA-N -1 1 399.428 3.412 40 0 GGABMM O=C([O-])C1(c2ccccc2)CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000408545964 231056568 /nfs/dbraw/zinc/05/65/68/231056568.db2.gz AUCROLOOENRSQL-UHFFFAOYSA-N -1 1 378.472 3.084 40 0 GGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1C ZINC000223822023 222643674 /nfs/dbraw/zinc/64/36/74/222643674.db2.gz GFMACCHQCJPPTN-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4ncccc4[O-])C3)o2)cc1 ZINC000257324307 222775979 /nfs/dbraw/zinc/77/59/79/222775979.db2.gz WOCBXLFNXYNAOS-MRXNPFEDSA-N -1 1 393.443 3.394 40 0 GGABMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000001501526 212247664 /nfs/dbraw/zinc/24/76/64/212247664.db2.gz QRMSKYQNXWWBDC-UHFFFAOYSA-N -1 1 384.379 3.415 40 0 GGABMM CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1[N-]S(=O)(=O)CC ZINC000000881349 212192679 /nfs/dbraw/zinc/19/26/79/212192679.db2.gz DXHHOBTZSKJIRF-UHFFFAOYSA-N -1 1 382.438 3.091 40 0 GGABMM O=C(Cc1sc(NC2CC2)nc1[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000007987598 221020044 /nfs/dbraw/zinc/02/00/44/221020044.db2.gz ZWQAGZONFLQIEK-LLVKDONJSA-N -1 1 391.802 3.437 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccn3)c2)cc1F ZINC000007989411 221021584 /nfs/dbraw/zinc/02/15/84/221021584.db2.gz MRXDZZRNAHPWCW-UHFFFAOYSA-N -1 1 399.447 3.260 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1OC ZINC000010008873 221094840 /nfs/dbraw/zinc/09/48/40/221094840.db2.gz ZWJYQYHTQNPGED-UHFFFAOYSA-N -1 1 384.457 3.399 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C)cc1 ZINC000010113031 221097667 /nfs/dbraw/zinc/09/76/67/221097667.db2.gz YUZBGZPDEIIVPR-KRWDZBQOSA-N -1 1 388.489 3.013 40 0 GGABMM CCCSc1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cn1 ZINC000012122256 221154373 /nfs/dbraw/zinc/15/43/73/221154373.db2.gz WYYGBBTVFVFETD-UHFFFAOYSA-N -1 1 394.504 3.095 40 0 GGABMM O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2)c1cccs1 ZINC000012130684 221157406 /nfs/dbraw/zinc/15/74/06/221157406.db2.gz QGOBYTJTBRPYLT-UHFFFAOYSA-N -1 1 381.461 3.026 40 0 GGABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000012200081 221166930 /nfs/dbraw/zinc/16/69/30/221166930.db2.gz JTHSJYHKWPCKQU-UHFFFAOYSA-N -1 1 398.362 3.160 40 0 GGABMM O=C(CCC1CCCC1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012258553 221173743 /nfs/dbraw/zinc/17/37/43/221173743.db2.gz OLPJAZQXWMHKOD-UHFFFAOYSA-N -1 1 381.480 3.316 40 0 GGABMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012520847 221200859 /nfs/dbraw/zinc/20/08/59/221200859.db2.gz GKWRDBJGRMQYRV-UHFFFAOYSA-N -1 1 380.882 3.421 40 0 GGABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012520963 221201522 /nfs/dbraw/zinc/20/15/22/221201522.db2.gz CSNLCJXPYOOQJI-IYBDPMFKSA-N -1 1 388.489 3.045 40 0 GGABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)N1CCC1 ZINC000012521312 221201568 /nfs/dbraw/zinc/20/15/68/221201568.db2.gz ULEIKUAOCNMSIO-UHFFFAOYSA-N -1 1 395.278 3.096 40 0 GGABMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCC1 ZINC000012526293 221201774 /nfs/dbraw/zinc/20/17/74/221201774.db2.gz MLVPUTXURDBXIF-UHFFFAOYSA-N -1 1 384.379 3.352 40 0 GGABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCO2)c1 ZINC000012736539 221222878 /nfs/dbraw/zinc/22/28/78/221222878.db2.gz SRMLQLWAQIJGJF-MRXNPFEDSA-N -1 1 388.489 3.013 40 0 GGABMM Cc1cc(C)c(NC(=O)CNC(=O)c2cc(Br)ccc2[O-])c(C)c1 ZINC000012747268 221223806 /nfs/dbraw/zinc/22/38/06/221223806.db2.gz LDLZEEGPSVTZQE-UHFFFAOYSA-N -1 1 391.265 3.448 40 0 GGABMM CC(C)CCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O ZINC000013453859 221268872 /nfs/dbraw/zinc/26/88/72/221268872.db2.gz ZTJCMRCKALRCHL-UHFFFAOYSA-N -1 1 381.885 3.448 40 0 GGABMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cccc(Br)c2)n1 ZINC000015481796 221336018 /nfs/dbraw/zinc/33/60/18/221336018.db2.gz XFVFDEIFJUWTNP-UHFFFAOYSA-N -1 1 382.283 3.216 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)cc1 ZINC000015434426 221336751 /nfs/dbraw/zinc/33/67/51/221336751.db2.gz KBRYAWXIXKYDGY-UHFFFAOYSA-N -1 1 381.457 3.121 40 0 GGABMM COc1cccc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccccc3)CC2)c1 ZINC000408604847 533400659 /nfs/dbraw/zinc/40/06/59/533400659.db2.gz FMMLJCAKXBZTEE-HXUWFJFHSA-N -1 1 382.460 3.059 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055639427 222024871 /nfs/dbraw/zinc/02/48/71/222024871.db2.gz ZAFHRCIOMWPCSE-UHFFFAOYSA-N -1 1 380.853 3.042 40 0 GGABMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000057121140 222028798 /nfs/dbraw/zinc/02/87/98/222028798.db2.gz HJWNXQNFGJDBKO-UHFFFAOYSA-N -1 1 382.869 3.289 40 0 GGABMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000060333282 222058845 /nfs/dbraw/zinc/05/88/45/222058845.db2.gz GOFJTRWXETZYLI-YLJYHZDGSA-N -1 1 382.460 3.266 40 0 GGABMM C[C@H](O)c1c(S(=O)(=O)c2ccc(Br)cc2)n[n-]c1C(F)(F)F ZINC000064220198 222071502 /nfs/dbraw/zinc/07/15/02/222071502.db2.gz UHFXEANHRJVVRR-LURJTMIESA-N -1 1 399.188 3.077 40 0 GGABMM Cc1nc(C2CCN(C(=O)c3cncc([O-])c3)CC2)sc1-c1ccnc(C)n1 ZINC000072340148 222230961 /nfs/dbraw/zinc/23/09/61/222230961.db2.gz FIICXVGZCPJEAL-UHFFFAOYSA-N -1 1 395.488 3.337 40 0 GGABMM CCn1c(CNC(=O)C2(c3ccc(Br)cc3)CC2)n[n-]c1=S ZINC000083836918 222313367 /nfs/dbraw/zinc/31/33/67/222313367.db2.gz GPQZPUDQYMLISK-UHFFFAOYSA-N -1 1 381.299 3.071 40 0 GGABMM Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3F)[nH]c2c1 ZINC000096112300 222381759 /nfs/dbraw/zinc/38/17/59/222381759.db2.gz OPJAVZGZWHPNPI-APWZRJJASA-N -1 1 383.423 3.309 40 0 biogenic,in-vitro GGABMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)cc1 ZINC000408530909 534212439 /nfs/dbraw/zinc/21/24/39/534212439.db2.gz JVUCUBOTKMJADQ-UHFFFAOYSA-N -1 1 386.477 3.368 40 0 GGABMM Cc1sc(NC(=O)CSc2nc(O)cc(=O)[n-]2)nc1-c1ccc(F)cc1 ZINC000409411130 534613437 /nfs/dbraw/zinc/61/34/37/534613437.db2.gz CYLPAYRHLHAANV-UHFFFAOYSA-N -1 1 392.437 3.190 40 0 GGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCCC1 ZINC000408611999 534627049 /nfs/dbraw/zinc/62/70/49/534627049.db2.gz XUUOUOQFSFIYME-UHFFFAOYSA-N -1 1 394.880 3.142 40 0 GGABMM O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000408722777 534851396 /nfs/dbraw/zinc/85/13/96/534851396.db2.gz WXCRPLPBAJCNFP-UHFFFAOYSA-N -1 1 396.399 3.427 40 0 GGABMM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000408607883 528056642 /nfs/dbraw/zinc/05/66/42/528056642.db2.gz QVDJJHQCLNWIBG-AWEZNQCLSA-N -1 1 394.468 3.166 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C ZINC000408600747 528226334 /nfs/dbraw/zinc/22/63/34/528226334.db2.gz CEMIBYCOGUIJPD-UHFFFAOYSA-N -1 1 397.294 3.308 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1C ZINC000408601365 528227021 /nfs/dbraw/zinc/22/70/21/528227021.db2.gz GAPDOURIKFDDED-UHFFFAOYSA-N -1 1 397.294 3.308 40 0 GGABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1OC ZINC000408697275 528425231 /nfs/dbraw/zinc/42/52/31/528425231.db2.gz IJPAKHKUZYQEAH-UHFFFAOYSA-N -1 1 376.434 3.047 40 0 GGABMM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514288387 560035230 /nfs/dbraw/zinc/03/52/30/560035230.db2.gz BYUGCKVEHVFTMB-HOTGVXAUSA-N -1 1 395.434 3.498 40 0 biogenic,in-vitro GGABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc21 ZINC000004971396 564210538 /nfs/dbraw/zinc/21/05/38/564210538.db2.gz IERNHXDWUKYWCN-UHFFFAOYSA-N -1 1 376.865 3.440 40 0 GGABMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000004944257 564210574 /nfs/dbraw/zinc/21/05/74/564210574.db2.gz DJYFLPHOLMAJGJ-VIFPVBQESA-N -1 1 398.257 3.258 40 0 GGABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 ZINC000004944256 564210888 /nfs/dbraw/zinc/21/08/88/564210888.db2.gz DJYFLPHOLMAJGJ-SECBINFHSA-N -1 1 398.257 3.258 40 0 GGABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000005237534 564214442 /nfs/dbraw/zinc/21/44/42/564214442.db2.gz RMUOWYZVHNBSPF-UHFFFAOYSA-N -1 1 377.775 3.481 40 0 GGABMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000005329473 564215453 /nfs/dbraw/zinc/21/54/53/564215453.db2.gz KVWWKRDNKXOYJZ-UHFFFAOYSA-N -1 1 395.278 3.377 40 0 GGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1Br ZINC000005885320 564219365 /nfs/dbraw/zinc/21/93/65/564219365.db2.gz UDPKGNWUTDQKFO-UHFFFAOYSA-N -1 1 399.266 3.217 40 0 GGABMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(Br)ccc1O ZINC000006643691 564226134 /nfs/dbraw/zinc/22/61/34/564226134.db2.gz JVSDXTIDMMVKKJ-UHFFFAOYSA-N -1 1 391.173 3.324 40 0 GGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000007323204 564235153 /nfs/dbraw/zinc/23/51/53/564235153.db2.gz GXJRFYUPKMVOTG-UHFFFAOYSA-N -1 1 395.278 3.159 40 0 GGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1OC ZINC000013679778 564278450 /nfs/dbraw/zinc/27/84/50/564278450.db2.gz CDCHPGYQDZVUPZ-UHFFFAOYSA-N -1 1 389.260 3.162 40 0 GGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1Cl ZINC000020457675 564306730 /nfs/dbraw/zinc/30/67/30/564306730.db2.gz BJHGXCUBNHAYKV-UHFFFAOYSA-N -1 1 387.816 3.465 40 0 GGABMM COc1ccc(Cl)cc1NC(=O)Cc1sc(N2CCCCC2)nc1[O-] ZINC000021859373 564312069 /nfs/dbraw/zinc/31/20/69/564312069.db2.gz WFBNPSHNYFKTDH-CQSZACIVSA-N -1 1 381.885 3.161 40 0 GGABMM O=S(=O)([N-]CCOc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000023143571 564322202 /nfs/dbraw/zinc/32/22/02/564322202.db2.gz PYSBJAVPEFESGM-UHFFFAOYSA-N -1 1 381.322 3.341 40 0 GGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000024257260 564329806 /nfs/dbraw/zinc/32/98/06/564329806.db2.gz XXKXMMGQAWDHJN-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)c1Cl ZINC000027976791 564358528 /nfs/dbraw/zinc/35/85/28/564358528.db2.gz FVJXKGFOJYCLOL-INIZCTEOSA-N -1 1 375.881 3.336 40 0 GGABMM Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)c1Cl ZINC000027976794 564358591 /nfs/dbraw/zinc/35/85/91/564358591.db2.gz FVJXKGFOJYCLOL-MRXNPFEDSA-N -1 1 375.881 3.336 40 0 GGABMM Cc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000041153080 564430215 /nfs/dbraw/zinc/43/02/15/564430215.db2.gz OHMXWDHWJXVRGJ-UHFFFAOYSA-N -1 1 377.853 3.318 40 0 GGABMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000222980169 565907376 /nfs/dbraw/zinc/90/73/76/565907376.db2.gz HYLAVTKASMQWHY-UHFFFAOYSA-N -1 1 383.853 3.255 40 0 GGABMM O=S(=O)(Cc1ccccc1F)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223650555 565908472 /nfs/dbraw/zinc/90/84/72/565908472.db2.gz VQXTYBMQNOUUGD-UHFFFAOYSA-N -1 1 381.816 3.149 40 0 GGABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Br)cc1)oc(=O)n2C ZINC000223334758 565908572 /nfs/dbraw/zinc/90/85/72/565908572.db2.gz RAIGXOZOYWZXTF-UHFFFAOYSA-N -1 1 397.250 3.003 40 0 GGABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Br)c1)oc(=O)n2C ZINC000223334680 565908716 /nfs/dbraw/zinc/90/87/16/565908716.db2.gz MRAKLACOPVAJMP-UHFFFAOYSA-N -1 1 397.250 3.003 40 0 GGABMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)c(Cl)cc21 ZINC000223363740 565909139 /nfs/dbraw/zinc/90/91/39/565909139.db2.gz AFAFKMMNZKMNRL-UHFFFAOYSA-N -1 1 388.779 3.347 40 0 GGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1C ZINC000223796401 565910448 /nfs/dbraw/zinc/91/04/48/565910448.db2.gz RNKFZBZCYGMWRC-UHFFFAOYSA-N -1 1 384.251 3.345 40 0 GGABMM COCc1cccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 ZINC000225188460 565914132 /nfs/dbraw/zinc/91/41/32/565914132.db2.gz LJEMDVBHXIZPLP-UHFFFAOYSA-N -1 1 380.491 3.314 40 0 GGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000225675896 565916482 /nfs/dbraw/zinc/91/64/82/565916482.db2.gz TYFJZHSUIJOFSN-UHFFFAOYSA-N -1 1 388.392 3.420 40 0 GGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cc2n(CC)c1=O ZINC000020215014 570248613 /nfs/dbraw/zinc/24/86/13/570248613.db2.gz XFUDNGPYTOQQQN-UHFFFAOYSA-N -1 1 377.441 3.091 40 0 GGABMM Cc1csc([N-]c2nccnc2[C@H]2CCCN(C(=O)C=Cc3ccco3)C2)n1 ZINC000585292937 570261941 /nfs/dbraw/zinc/26/19/41/570261941.db2.gz UNEORXCXHQWLGU-LFAOLKIESA-N -1 1 395.488 3.419 40 0 GGABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020493678 570263327 /nfs/dbraw/zinc/26/33/27/570263327.db2.gz SBNDPESKXXCCPY-UHFFFAOYSA-N -1 1 396.896 3.297 40 0 GGABMM COC(=O)c1ccc(CN2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)cc1 ZINC000100141537 570267164 /nfs/dbraw/zinc/26/71/64/570267164.db2.gz BZUYPNKGQIWYFJ-UHFFFAOYSA-N -1 1 394.475 3.077 40 0 GGABMM Cc1nnc2sc(-c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)nn12 ZINC000020609594 570271861 /nfs/dbraw/zinc/27/18/61/570271861.db2.gz DKNZOHNWFUNUMF-UHFFFAOYSA-N -1 1 385.474 3.270 40 0 GGABMM CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[n-]c1=O ZINC000020673236 570274418 /nfs/dbraw/zinc/27/44/18/570274418.db2.gz HNTFUFRNQSULMS-UHFFFAOYSA-N -1 1 395.463 3.186 40 0 GGABMM Cc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000021885384 570298187 /nfs/dbraw/zinc/29/81/87/570298187.db2.gz OINFISYRZZKGBF-UHFFFAOYSA-N -1 1 392.440 3.091 40 0 GGABMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000007325524 570332376 /nfs/dbraw/zinc/33/23/76/570332376.db2.gz HYHXPHHAYPTHHL-UHFFFAOYSA-N -1 1 384.379 3.398 40 0 GGABMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000006315591 570376744 /nfs/dbraw/zinc/37/67/44/570376744.db2.gz ZVDSFCQXTUMJPL-UHFFFAOYSA-N -1 1 394.518 3.183 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1OCC ZINC000007361001 570424091 /nfs/dbraw/zinc/42/40/91/570424091.db2.gz BXVISWPXUAYEBI-UHFFFAOYSA-N -1 1 378.450 3.243 40 0 GGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000028196403 570452338 /nfs/dbraw/zinc/45/23/38/570452338.db2.gz ZQOXTIKOVQRVMH-UHFFFAOYSA-N -1 1 389.351 3.481 40 0 GGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000223289784 570456191 /nfs/dbraw/zinc/45/61/91/570456191.db2.gz NBBZTIFCINOWHB-NYYWCZLTSA-N -1 1 384.379 3.265 40 0 GGABMM COC(=O)c1ccc(NCC(C)C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223417309 570465155 /nfs/dbraw/zinc/46/51/55/570465155.db2.gz BPTDWFQPRQBWMH-UHFFFAOYSA-N -1 1 392.477 3.351 40 0 GGABMM COC(=O)c1ccc(NC(C)(C)C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223417511 570465220 /nfs/dbraw/zinc/46/52/20/570465220.db2.gz JUINTTJXZOXOOT-UHFFFAOYSA-N -1 1 392.477 3.493 40 0 GGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223659758 570477495 /nfs/dbraw/zinc/47/74/95/570477495.db2.gz WDRXVOXISPOMAA-UHFFFAOYSA-N -1 1 375.446 3.378 40 0 GGABMM Cc1nn(C(=O)c2ccccc2[O-])c2c1[C@H](c1ccc(O)cc1O)SC(=N)N2 ZINC000006483951 570481302 /nfs/dbraw/zinc/48/13/02/570481302.db2.gz SXLNKLVZGMPPQR-INIZCTEOSA-N -1 1 396.428 3.180 40 0 GGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 ZINC000223822098 570485794 /nfs/dbraw/zinc/48/57/94/570485794.db2.gz PAHNPVPJXJXURP-UHFFFAOYSA-N -1 1 391.445 3.068 40 0 GGABMM O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223918349 570490189 /nfs/dbraw/zinc/49/01/89/570490189.db2.gz IJTKQUDQSQCQOR-UHFFFAOYSA-N -1 1 396.424 3.468 40 0 GGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000223912082 570490242 /nfs/dbraw/zinc/49/02/42/570490242.db2.gz ALXZHYAQJPTXMJ-UHFFFAOYSA-N -1 1 386.473 3.185 40 0 GGABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975688 570492240 /nfs/dbraw/zinc/49/22/40/570492240.db2.gz KIVMAVBUPCLHBI-UHFFFAOYSA-N -1 1 396.896 3.297 40 0 GGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl ZINC000038753994 570581707 /nfs/dbraw/zinc/58/17/07/570581707.db2.gz KQZQNTBVTSWLQK-UHFFFAOYSA-N -1 1 399.852 3.335 40 0 GGABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(F)cc3C)n2)cc1 ZINC000225600603 570592822 /nfs/dbraw/zinc/59/28/22/570592822.db2.gz KZFPQJKKQWNCRG-UHFFFAOYSA-N -1 1 391.424 3.061 40 0 GGABMM COC(=O)c1cccc(-c2ccc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])o2)c1 ZINC000033332492 570645329 /nfs/dbraw/zinc/64/53/29/570645329.db2.gz CZCHWAHOUOMZAD-DHDCSXOGSA-N -1 1 385.401 3.378 40 0 GGABMM COC(=O)c1cccc(-c2ccc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])o2)c1 ZINC000033332492 570645331 /nfs/dbraw/zinc/64/53/31/570645331.db2.gz CZCHWAHOUOMZAD-DHDCSXOGSA-N -1 1 385.401 3.378 40 0 GGABMM Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001002500 570745504 /nfs/dbraw/zinc/74/55/04/570745504.db2.gz ORFOQMBNYMISQQ-UHFFFAOYSA-N -1 1 390.852 3.127 40 0 GGABMM CCCN1CC[N@@H+](CC(=O)[O-])C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000257243276 570768800 /nfs/dbraw/zinc/76/88/00/570768800.db2.gz IGEDRWNHBYFDQG-JOCHJYFZSA-N -1 1 394.515 3.460 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000013680751 570772883 /nfs/dbraw/zinc/77/28/83/570772883.db2.gz MTBPBHBHSWEVAN-KRWDZBQOSA-N -1 1 388.489 3.013 40 0 GGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)ccc1OC ZINC000013681462 570773574 /nfs/dbraw/zinc/77/35/74/570773574.db2.gz YQGZIWDIPPFMLD-UHFFFAOYSA-N -1 1 392.477 3.033 40 0 GGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1OCC ZINC000007361233 570833833 /nfs/dbraw/zinc/83/38/33/570833833.db2.gz IVGMNLLFXCBQOR-UHFFFAOYSA-N -1 1 379.434 3.056 40 0 GGABMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102861560 570869529 /nfs/dbraw/zinc/86/95/29/570869529.db2.gz SHNBOUGTFVGPKS-JJRVBVJISA-N -1 1 398.768 3.444 40 0 GGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 ZINC000014153661 570878243 /nfs/dbraw/zinc/87/82/43/570878243.db2.gz NDPWMTMZUSTUEO-UHFFFAOYSA-N -1 1 390.505 3.341 40 0 GGABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1C ZINC000014155522 570879744 /nfs/dbraw/zinc/87/97/44/570879744.db2.gz IIWVRBMQNKXMRB-UHFFFAOYSA-N -1 1 395.484 3.429 40 0 GGABMM O=C1N[C@@H](c2cccc(Cl)c2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269830 570968235 /nfs/dbraw/zinc/96/82/35/570968235.db2.gz DXEIDRUWAJRMAR-GRDNDAEWSA-N -1 1 398.768 3.444 40 0 GGABMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163758 570968248 /nfs/dbraw/zinc/96/82/48/570968248.db2.gz SHNBOUGTFVGPKS-VBQJREDUSA-N -1 1 398.768 3.444 40 0 GGABMM CCCC[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2NC1=O ZINC000252488504 570970261 /nfs/dbraw/zinc/97/02/61/570970261.db2.gz ITHYFDHSMTXJKL-SFHVURJKSA-N -1 1 390.461 3.386 40 0 GGABMM O=c1[n-]c(-c2cnccn2)nc2c1CN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000019292959 570972816 /nfs/dbraw/zinc/97/28/16/570972816.db2.gz BROPMWNFUWGNDZ-UHFFFAOYSA-N -1 1 388.258 3.092 40 0 GGABMM O=S(=O)([N-]c1cccc([C@H]2CCc3nncn3C2)c1)c1cccc(Cl)c1 ZINC000019699079 571030936 /nfs/dbraw/zinc/03/09/36/571030936.db2.gz RYWVNJOKYJHADD-AWEZNQCLSA-N -1 1 388.880 3.462 40 0 GGABMM Cc1ccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c(C)c1 ZINC000005516135 1398450895 /nfs/dbraw/zinc/45/08/95/1398450895.db2.gz NWAXNPKTTQVRQW-UHFFFAOYSA-N -1 1 380.425 3.141 40 0 GGABMM CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Cl)c3)C2=O)CC1 ZINC000006308111 1398541769 /nfs/dbraw/zinc/54/17/69/1398541769.db2.gz AZIUUXZTWNGGBS-OQLLNIDSSA-N -1 1 394.880 3.340 40 0 GGABMM Cc1nnc(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1 ZINC000006328682 1398543010 /nfs/dbraw/zinc/54/30/10/1398543010.db2.gz MAPJIJCPUDHVOC-XNTDXEJSSA-N -1 1 389.437 3.229 40 0 GGABMM Cc1nc(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1 ZINC000006328682 1398543015 /nfs/dbraw/zinc/54/30/15/1398543015.db2.gz MAPJIJCPUDHVOC-XNTDXEJSSA-N -1 1 389.437 3.229 40 0 GGABMM O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1-c1nn[n-]n1 ZINC000019658167 1423551640 /nfs/dbraw/zinc/55/16/40/1423551640.db2.gz OWPYXMNCSHLWBB-UHFFFAOYSA-N -1 1 397.851 3.215 40 0 GGABMM Cc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)c1 ZINC000005519748 1423628587 /nfs/dbraw/zinc/62/85/87/1423628587.db2.gz WVFUBANFCUKENQ-HNNXBMFYSA-N -1 1 375.354 3.492 40 0 GGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccncc3)C(=O)[O-])n2)c1 ZINC000213370853 1433359708 /nfs/dbraw/zinc/35/97/08/1433359708.db2.gz USGYAHVIUKPOIN-CHHVJCJISA-N -1 1 384.417 3.102 40 0 GGABMM O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4ccccc4)cc3)ccc21 ZINC000226860329 1433369238 /nfs/dbraw/zinc/36/92/38/1433369238.db2.gz URMFSCVJMBQREN-UHFFFAOYSA-N -1 1 378.409 3.038 40 0 GGABMM