smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c2ccccc2c2cc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)ccc21 ZINC000020460881 523277786 /nfs/dbraw/zinc/27/77/86/523277786.db2.gz NWQARERCKCAKKZ-UHFFFAOYSA-N -1 3 441.940 5.092 40 0 IKABHM CCc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147359 555892310 /nfs/dbraw/zinc/89/23/10/555892310.db2.gz LTHZLHSPUDHQIP-VWLOTQADSA-N -1 3 427.935 6.351 40 0 IKABHM CCc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147359 555892315 /nfs/dbraw/zinc/89/23/15/555892315.db2.gz LTHZLHSPUDHQIP-VWLOTQADSA-N -1 3 427.935 6.351 40 0 IKABHM CCc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147358 555892393 /nfs/dbraw/zinc/89/23/93/555892393.db2.gz LTHZLHSPUDHQIP-RUZDIDTESA-N -1 3 427.935 6.351 40 0 IKABHM CCc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147358 555892397 /nfs/dbraw/zinc/89/23/97/555892397.db2.gz LTHZLHSPUDHQIP-RUZDIDTESA-N -1 3 427.935 6.351 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559285 555898970 /nfs/dbraw/zinc/89/89/70/555898970.db2.gz WJXSZTMSMIMDKD-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000008592898 556189671 /nfs/dbraw/zinc/18/96/71/556189671.db2.gz IOFQNSWBKPWVEY-UHFFFAOYSA-N -1 3 436.464 5.638 40 0 IKABHM Cc1nnc([N-]C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1 ZINC000008672484 556198570 /nfs/dbraw/zinc/19/85/70/556198570.db2.gz AYVAMSONWXATIR-UHFFFAOYSA-N -1 3 441.485 5.038 40 0 IKABHM Cc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1[N-]S(C)(=O)=O ZINC000010327962 556331774 /nfs/dbraw/zinc/33/17/74/556331774.db2.gz VQJBJQGWOXFOKZ-UHFFFAOYSA-N -1 3 440.590 5.220 40 0 IKABHM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000014030956 556357567 /nfs/dbraw/zinc/35/75/67/556357567.db2.gz UQDHDIAUMYDMRK-UHFFFAOYSA-N -1 3 438.549 5.145 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 ZINC000014664084 556431087 /nfs/dbraw/zinc/43/10/87/556431087.db2.gz MTFRHUCHFHZAFM-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1C ZINC000014663944 556431161 /nfs/dbraw/zinc/43/11/61/556431161.db2.gz DXSNUCRNLILEBP-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c(C)c1 ZINC000014664027 556431178 /nfs/dbraw/zinc/43/11/78/556431178.db2.gz CWLQSRKEDGFICE-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030867082 556512493 /nfs/dbraw/zinc/51/24/93/556512493.db2.gz WITXSEAWCLFSGR-UHFFFAOYSA-N -1 3 428.941 5.264 40 0 IKABHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl ZINC000030868443 556513129 /nfs/dbraw/zinc/51/31/29/556513129.db2.gz CNMPDLMHLXNHBP-NRFANRHFSA-N -1 3 436.360 5.378 40 0 IKABHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl ZINC000030868448 556513256 /nfs/dbraw/zinc/51/32/56/556513256.db2.gz CNMPDLMHLXNHBP-OAQYLSRUSA-N -1 3 436.360 5.378 40 0 IKABHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958414 556561767 /nfs/dbraw/zinc/56/17/67/556561767.db2.gz YQCWTNLAEOHXBU-APPDUMDISA-N -1 3 441.277 5.036 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1C ZINC000100934279 556612123 /nfs/dbraw/zinc/61/21/23/556612123.db2.gz DJOYRLBCLJOQFF-QKDODKLFSA-N -1 3 448.522 5.508 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000038772426 556619414 /nfs/dbraw/zinc/61/94/14/556619414.db2.gz SYGYJNYMHPSSEQ-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101071418 556653511 /nfs/dbraw/zinc/65/35/11/556653511.db2.gz GWFDKPXTLMKEHJ-ZVDOUQERSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000017101450 556666096 /nfs/dbraw/zinc/66/60/96/556666096.db2.gz BZTMNFBPIMZMMI-UHFFFAOYSA-N -1 3 437.521 5.243 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017101749 556666301 /nfs/dbraw/zinc/66/63/01/556666301.db2.gz PSLGSBIXAYJYPP-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 ZINC000044841306 556668421 /nfs/dbraw/zinc/66/84/21/556668421.db2.gz REYFEHZXHSJULQ-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044842416 556668570 /nfs/dbraw/zinc/66/85/70/556668570.db2.gz OLHSLORWHSTWER-KRWDZBQOSA-N -1 3 442.968 5.249 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000044886075 556675529 /nfs/dbraw/zinc/67/55/29/556675529.db2.gz MAIGXMXDFJUOBP-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044899919 556676700 /nfs/dbraw/zinc/67/67/00/556676700.db2.gz YRYVSBRJCUXGEH-FQEVSTJZSA-N -1 3 428.941 5.022 40 0 IKABHM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000044903539 556679070 /nfs/dbraw/zinc/67/90/70/556679070.db2.gz XFXPZFHTLYRFFJ-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)cc2Cl)cc1 ZINC000044904775 556679611 /nfs/dbraw/zinc/67/96/11/556679611.db2.gz SPXQYSHZVUQRKM-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013661067 556708491 /nfs/dbraw/zinc/70/84/91/556708491.db2.gz SBXXZWYDZDXGMP-ZNZIZOMTSA-N -1 3 434.495 5.199 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000013771000 556730701 /nfs/dbraw/zinc/73/07/01/556730701.db2.gz QMPCFFAWGGZZJL-DSITVLBTSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000002377886 556761143 /nfs/dbraw/zinc/76/11/43/556761143.db2.gz LDNOEDBPXLUFCK-SDHSZQHLSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000001223766 556768839 /nfs/dbraw/zinc/76/88/39/556768839.db2.gz OATNOCBEKAJCTR-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409072613 556774943 /nfs/dbraw/zinc/77/49/43/556774943.db2.gz TYDHNZUNMLTQLL-YVLHZVERSA-N -1 3 433.678 6.004 40 0 IKABHM COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1[O-] ZINC000409117348 556809732 /nfs/dbraw/zinc/80/97/32/556809732.db2.gz XMFJPNJXLYYFEO-UHFFFAOYSA-N -1 3 447.272 5.410 40 0 IKABHM Cc1ccc2c(Cl)c(C3=N/C(=C/c4cc(Br)ccc4[O-])C(=O)O3)sc2c1 ZINC000408838577 556868091 /nfs/dbraw/zinc/86/80/91/556868091.db2.gz GIQSGUHKFXJVCN-MDWZMJQESA-N -1 3 448.725 5.676 40 0 IKABHM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000408906900 556884669 /nfs/dbraw/zinc/88/46/69/556884669.db2.gz KBUMUOAMMKVKEX-UHFFFAOYSA-N -1 3 440.590 5.143 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)c(C)c1 ZINC000408923898 556892716 /nfs/dbraw/zinc/89/27/16/556892716.db2.gz HWGAKYDECBECKT-SFHVURJKSA-N -1 3 440.590 5.224 40 0 IKABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408949121 556898629 /nfs/dbraw/zinc/89/86/29/556898629.db2.gz DTDUYOHGDGBECP-PIGZYNQJSA-N -1 3 441.277 5.180 40 0 IKABHM O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2nc(-c3ccccc3)cs2)[n-]1 ZINC000019819610 556923147 /nfs/dbraw/zinc/92/31/47/556923147.db2.gz LBNNFXUATHZEHR-UHFFFAOYSA-N -1 3 426.954 5.583 40 0 IKABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000019886486 556938618 /nfs/dbraw/zinc/93/86/18/556938618.db2.gz NPONEPLZNIARHP-UHFFFAOYSA-N -1 3 438.593 5.168 40 0 IKABHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409072372 556946065 /nfs/dbraw/zinc/94/60/65/556946065.db2.gz RTQCSUOLVLFCHE-GZTJUZNOSA-N -1 3 431.300 5.835 40 0 IKABHM CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1[O-] ZINC000409097466 556953466 /nfs/dbraw/zinc/95/34/66/556953466.db2.gz GSNUHAFQVYRDNJ-XGICHPGQSA-N -1 3 428.204 5.065 40 0 IKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409100716 556955260 /nfs/dbraw/zinc/95/52/60/556955260.db2.gz WECOZJZMIRGIBJ-YOSAUDMPSA-N -1 3 444.497 5.879 40 0 IKABHM CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000409137257 556970206 /nfs/dbraw/zinc/97/02/06/556970206.db2.gz WFBSOQCMEPIZSK-MHWRWJLKSA-N -1 3 440.359 5.170 40 0 IKABHM O=C([O-])CN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000073633138 556977430 /nfs/dbraw/zinc/97/74/30/556977430.db2.gz POTXNYOLCATGPW-UHFFFAOYSA-N -1 3 429.438 5.371 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000020110229 556985044 /nfs/dbraw/zinc/98/50/44/556985044.db2.gz OIZBEBNOKNPORF-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409172565 556986159 /nfs/dbraw/zinc/98/61/59/556986159.db2.gz KUSPNTSNQJCPOR-INIZCTEOSA-N -1 3 444.553 5.054 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551453 557036386 /nfs/dbraw/zinc/03/63/86/557036386.db2.gz KUYNDZOZDLCMFT-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557423 557037832 /nfs/dbraw/zinc/03/78/32/557037832.db2.gz MQUYILXSZCXTIS-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NCC(C)C ZINC000408583540 557045174 /nfs/dbraw/zinc/04/51/74/557045174.db2.gz IEZVDYWGABAAMB-UHFFFAOYSA-N -1 3 449.787 5.142 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1C ZINC000408605495 557069534 /nfs/dbraw/zinc/06/95/34/557069534.db2.gz KLJDINYCLJMMPL-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408606892 557069814 /nfs/dbraw/zinc/06/98/14/557069814.db2.gz MNFZKJYWMONKLM-UHFFFAOYSA-N -1 3 428.941 5.264 40 0 IKABHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1NC(=O)c1ccccc1 ZINC000408607605 557070175 /nfs/dbraw/zinc/07/01/75/557070175.db2.gz NIJDWKGNNBNISW-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CSc1ccccc1[N-]C(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000408635410 557077281 /nfs/dbraw/zinc/07/72/81/557077281.db2.gz ARGCCKZSQZSTRY-UHFFFAOYSA-N -1 3 430.624 5.378 40 0 IKABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1c(Cl)cccc1Cl ZINC000409262878 557078012 /nfs/dbraw/zinc/07/80/12/557078012.db2.gz GAZXFXNQMSGAGZ-UHFFFAOYSA-N -1 3 427.287 5.897 40 0 IKABHM CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1[O-] ZINC000409412612 557109142 /nfs/dbraw/zinc/10/91/42/557109142.db2.gz YOASZBBVOBQQPV-UHFFFAOYSA-N -1 3 446.532 5.194 40 0 IKABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000408702181 557116351 /nfs/dbraw/zinc/11/63/51/557116351.db2.gz KVLIWWNKIFYNCA-UHFFFAOYSA-N -1 3 430.913 5.146 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)cc1 ZINC000020612908 557125583 /nfs/dbraw/zinc/12/55/83/557125583.db2.gz OJKIRUFAKRPZJC-UHFFFAOYSA-N -1 3 440.590 5.549 40 0 IKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(C)cc4C)ccc32)cc1 ZINC000020765992 557127963 /nfs/dbraw/zinc/12/79/63/557127963.db2.gz BLLFUVYNMXGKFX-UHFFFAOYSA-N -1 3 434.561 5.006 40 0 IKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)ccc32)cc1 ZINC000020766228 557128270 /nfs/dbraw/zinc/12/82/70/557128270.db2.gz BKNFPBPTLRTJTD-UHFFFAOYSA-N -1 3 448.588 5.314 40 0 IKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106734660 557159853 /nfs/dbraw/zinc/15/98/53/557159853.db2.gz WKNMADMZYBVBDJ-APSNUPSMSA-N -1 3 442.295 5.473 40 0 IKABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009142429 557182445 /nfs/dbraw/zinc/18/24/45/557182445.db2.gz JFKWULSWMHNZJY-UHFFFAOYSA-N -1 3 441.723 5.739 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1 ZINC000013981237 557399779 /nfs/dbraw/zinc/39/97/79/557399779.db2.gz BLEQQFUQNFVIOS-RIYZIHGNSA-N -1 3 440.952 5.410 40 0 IKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000014270245 557429758 /nfs/dbraw/zinc/42/97/58/557429758.db2.gz VOMVCKAZTMKOQS-UHFFFAOYSA-N -1 3 447.516 5.034 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000014397423 557435479 /nfs/dbraw/zinc/43/54/79/557435479.db2.gz VEPOQQPSKVZSGK-UHFFFAOYSA-N -1 3 449.576 5.038 40 0 IKABHM Cc1ccc(C(C)C)c(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000016291117 557472328 /nfs/dbraw/zinc/47/23/28/557472328.db2.gz XBYONTBLUDFWED-UHFFFAOYSA-N -1 3 433.986 5.274 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3[O-])oc2c1 ZINC000017096518 557476582 /nfs/dbraw/zinc/47/65/82/557476582.db2.gz JMIKBKKVBNSKDI-XYOKQWHBSA-N -1 3 429.501 5.035 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000017097572 557479457 /nfs/dbraw/zinc/47/94/57/557479457.db2.gz LFMWIOALYAVNKT-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3[O-])nc2c1 ZINC000017097576 557479605 /nfs/dbraw/zinc/47/96/05/557479605.db2.gz JKNGUBGIEARAHS-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM COc1c(F)c(F)c(C(=O)[N-]c2nc(-c3cccc4ccccc43)cs2)c(F)c1F ZINC000017097880 557480178 /nfs/dbraw/zinc/48/01/78/557480178.db2.gz SGMRNIKRWRSZCY-UHFFFAOYSA-N -1 3 432.398 5.781 40 0 IKABHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccccc1Br ZINC000020158400 557516594 /nfs/dbraw/zinc/51/65/94/557516594.db2.gz PNFDFJLDWPKEFG-UHFFFAOYSA-N -1 3 425.307 5.684 40 0 IKABHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(C)c(C)c1 ZINC000223964040 557535362 /nfs/dbraw/zinc/53/53/62/557535362.db2.gz LYGPEZPDLMBSLA-QFIPXVFZSA-N -1 3 440.540 5.124 40 0 IKABHM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(C)c(C)c1 ZINC000223963982 557535377 /nfs/dbraw/zinc/53/53/77/557535377.db2.gz LYGPEZPDLMBSLA-JOCHJYFZSA-N -1 3 440.540 5.124 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 ZINC000224059800 557552965 /nfs/dbraw/zinc/55/29/65/557552965.db2.gz UVNWQLFRCDWMRS-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 ZINC000224059718 557553042 /nfs/dbraw/zinc/55/30/42/557553042.db2.gz KCISZWPRYNIKMX-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCCC[C@@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000224409948 557603214 /nfs/dbraw/zinc/60/32/14/557603214.db2.gz MMDHZPQCERQPPO-QGZVFWFLSA-N -1 3 437.005 5.395 40 0 IKABHM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000224530420 557617068 /nfs/dbraw/zinc/61/70/68/557617068.db2.gz ZHGVNNCHYMDYRU-UHFFFAOYSA-N -1 3 436.320 5.438 40 0 IKABHM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224537428 557618173 /nfs/dbraw/zinc/61/81/73/557618173.db2.gz NLBUPXOVFHGCQN-UHFFFAOYSA-N -1 3 446.981 5.262 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccs1 ZINC000224539328 557618375 /nfs/dbraw/zinc/61/83/75/557618375.db2.gz CFBZIMHIPCWKSB-UHFFFAOYSA-N -1 3 427.334 5.108 40 0 IKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224540146 557618645 /nfs/dbraw/zinc/61/86/45/557618645.db2.gz LXICBYHNKDSRSZ-INIZCTEOSA-N -1 3 444.553 5.054 40 0 IKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224540190 557618651 /nfs/dbraw/zinc/61/86/51/557618651.db2.gz LXICBYHNKDSRSZ-MRXNPFEDSA-N -1 3 444.553 5.054 40 0 IKABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000224557950 557623004 /nfs/dbraw/zinc/62/30/04/557623004.db2.gz WLINCFWFECAIAX-UHFFFAOYSA-N -1 3 449.359 5.284 40 0 IKABHM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224559984 557623407 /nfs/dbraw/zinc/62/34/07/557623407.db2.gz CGWDWVPPOKLKJS-UHFFFAOYSA-N -1 3 440.540 5.321 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3cccc4ccccc43)cc2)cc1 ZINC000224567905 557624889 /nfs/dbraw/zinc/62/48/89/557624889.db2.gz BLGYMSZLCKFANF-UHFFFAOYSA-N -1 3 444.556 5.520 40 0 IKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccco1 ZINC000224595888 557628867 /nfs/dbraw/zinc/62/88/67/557628867.db2.gz GFSPSTCSSRWDOY-ZEQRLZLVSA-N -1 3 444.560 5.024 40 0 IKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccco1 ZINC000224595793 557628903 /nfs/dbraw/zinc/62/89/03/557628903.db2.gz GFSPSTCSSRWDOY-RPWUZVMVSA-N -1 3 444.560 5.024 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224596365 557629055 /nfs/dbraw/zinc/62/90/55/557629055.db2.gz FMEKUBDBIMPUGY-GOTSBHOMSA-N -1 3 446.963 5.408 40 0 IKABHM Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224596910 557629081 /nfs/dbraw/zinc/62/90/81/557629081.db2.gz FBEJSNGHWQKRKW-ZEQRLZLVSA-N -1 3 426.545 5.063 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224596407 557629112 /nfs/dbraw/zinc/62/91/12/557629112.db2.gz FMEKUBDBIMPUGY-PKTZIBPZSA-N -1 3 446.963 5.408 40 0 IKABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1C ZINC000224614583 557631178 /nfs/dbraw/zinc/63/11/78/557631178.db2.gz AZJNBVNXBIWLCP-RPBOFIJWSA-N -1 3 440.572 5.372 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224616475 557631425 /nfs/dbraw/zinc/63/14/25/557631425.db2.gz CQXLKBBTGJOMKR-PKTZIBPZSA-N -1 3 447.947 5.878 40 0 IKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CC1 ZINC000224863106 557659842 /nfs/dbraw/zinc/65/98/42/557659842.db2.gz PCTZAHKKRMXZKA-FGZHOGPDSA-N -1 3 438.984 5.371 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224865614 557659950 /nfs/dbraw/zinc/65/99/50/557659950.db2.gz NGDQMKWNSCEEKW-VXKWHMMOSA-N -1 3 438.984 5.534 40 0 IKABHM CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224866515 557660225 /nfs/dbraw/zinc/66/02/25/557660225.db2.gz VHNKOSYJXRABHR-NHCUHLMSSA-N -1 3 426.973 5.056 40 0 IKABHM CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224866559 557660293 /nfs/dbraw/zinc/66/02/93/557660293.db2.gz VHNKOSYJXRABHR-RTWAWAEBSA-N -1 3 426.973 5.056 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224885271 557662313 /nfs/dbraw/zinc/66/23/13/557662313.db2.gz BNKUPIATYIOAQD-XZOQPEGZSA-N -1 3 446.963 5.408 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(Cl)c1 ZINC000224997418 557675287 /nfs/dbraw/zinc/67/52/87/557675287.db2.gz LFIUJFQGWKRXMZ-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000225036862 557681354 /nfs/dbraw/zinc/68/13/54/557681354.db2.gz UUAAUDBHUICOKX-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000225036400 557681390 /nfs/dbraw/zinc/68/13/90/557681390.db2.gz MNVHHULVYGGUQF-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c(C)c1 ZINC000225055795 557683587 /nfs/dbraw/zinc/68/35/87/557683587.db2.gz HKMRJCJFEBIMKE-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000033678706 557808843 /nfs/dbraw/zinc/80/88/43/557808843.db2.gz YEZSNQKEGVPQEH-ZDUSSCGKSA-N -1 3 438.515 5.961 40 0 IKABHM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000059459835 557821420 /nfs/dbraw/zinc/82/14/20/557821420.db2.gz BMMUQNYIIRXHDG-ZSOIEALJSA-N -1 3 440.702 5.058 40 0 IKABHM CCCCCc1cc2cc([O-])cc(Oc3c(O)cc(O)cc3CCCCC)c2c(=O)o1 ZINC000031162975 560090334 /nfs/dbraw/zinc/09/03/34/560090334.db2.gz NXAFAINHPNBMLG-UHFFFAOYSA-N -1 3 426.509 6.168 40 0 biogenic,in-vitro IKABHM [O-]c1cc(-n2cnnc2)ccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000045920477 568927864 /nfs/dbraw/zinc/92/78/64/568927864.db2.gz ZGJBEQBCYUZRAX-UHFFFAOYSA-N -1 3 433.265 5.211 40 0 IKABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000033668028 569245769 /nfs/dbraw/zinc/24/57/69/569245769.db2.gz CJRUUTARORFAKG-UHFFFAOYSA-N -1 3 431.753 5.694 40 0 IKABHM CCC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(F)cc2)C1 ZINC000257226387 569276365 /nfs/dbraw/zinc/27/63/65/569276365.db2.gz FKLFMYGMGPKGNH-QKNQBKEWSA-N -1 3 436.321 5.172 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000257345092 569279960 /nfs/dbraw/zinc/27/99/60/569279960.db2.gz ZZXPGTDJAKUMGZ-RBPBXQJFSA-N -1 3 441.955 5.178 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000009462320 569296446 /nfs/dbraw/zinc/29/64/46/569296446.db2.gz LIEWMCGEEMYSGL-ZLNRFVROSA-N -1 3 432.907 5.008 40 0 IKABHM CCCc1oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCC ZINC000008974097 569492905 /nfs/dbraw/zinc/49/29/05/569492905.db2.gz CEYJTADGROESNV-UHFFFAOYSA-N -1 3 429.538 5.288 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3cc(C)cc(C)c3)sc2c1 ZINC000032118735 569583662 /nfs/dbraw/zinc/58/36/62/569583662.db2.gz OPCIVGGJKVPMIU-UHFFFAOYSA-N -1 3 427.595 5.148 40 0 IKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000020572793 521386214 /nfs/dbraw/zinc/38/62/14/521386214.db2.gz NGVLHEYEMADCFY-ZDUSSCGKSA-N -1 3 446.569 5.217 40 0 IKABHM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020450751 521778538 /nfs/dbraw/zinc/77/85/38/521778538.db2.gz AXVZDBMRVPHVTP-UHFFFAOYSA-N -1 3 446.981 5.505 40 0 IKABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000022528693 523681909 /nfs/dbraw/zinc/68/19/09/523681909.db2.gz SVJQUCWPAINCOE-UHFFFAOYSA-N -1 3 449.557 5.113 40 0 IKABHM Cc1ccccc1-c1cc(=O)[n-]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000020634932 525001422 /nfs/dbraw/zinc/00/14/22/525001422.db2.gz QFDDMBZTHODUBV-UHFFFAOYSA-N -1 3 439.906 5.753 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1Cl ZINC000020450530 525218714 /nfs/dbraw/zinc/21/87/14/525218714.db2.gz BJORMKYDUUBVAW-UHFFFAOYSA-N -1 3 446.981 5.256 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCCC3)cc2Cl)cc1 ZINC000020481030 525597385 /nfs/dbraw/zinc/59/73/85/525597385.db2.gz NZKQZRSVBQRHIZ-UHFFFAOYSA-N -1 3 432.973 5.070 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C)cc2Cl)cc1 ZINC000020491486 525599482 /nfs/dbraw/zinc/59/94/82/525599482.db2.gz CDSIFKWAZMDAKF-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000734156 555553156 /nfs/dbraw/zinc/55/31/56/555553156.db2.gz DYMKVABMZRGTIK-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=C([N-]c1nnc2ncc3c(n12)CCCCCCCCCC3)Nc1ccc(Cl)cc1 ZINC000001592550 555704867 /nfs/dbraw/zinc/70/48/67/555704867.db2.gz SZJSUCPIABBSDZ-UHFFFAOYSA-N -1 3 426.952 5.641 40 0 IKABHM CCOc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147366 555892439 /nfs/dbraw/zinc/89/24/39/555892439.db2.gz IIRIARBRGDSKOS-VWLOTQADSA-N -1 3 443.934 6.187 40 0 IKABHM CCOc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147366 555892442 /nfs/dbraw/zinc/89/24/42/555892442.db2.gz IIRIARBRGDSKOS-VWLOTQADSA-N -1 3 443.934 6.187 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1NC(=O)c1ccccc1 ZINC000408555803 555892695 /nfs/dbraw/zinc/89/26/95/555892695.db2.gz GKFWLJPSBCPVEK-UHFFFAOYSA-N -1 3 438.549 5.009 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccccc1F ZINC000408574857 555925516 /nfs/dbraw/zinc/92/55/16/555925516.db2.gz LYQFIVINOPPBID-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1[O-] ZINC000408610660 555980764 /nfs/dbraw/zinc/98/07/64/555980764.db2.gz RBJAOSQXIINCNW-UHFFFAOYSA-N -1 3 438.092 5.314 40 0 IKABHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408678269 556072435 /nfs/dbraw/zinc/07/24/35/556072435.db2.gz IBAONYHVMPOQPV-UHFFFAOYSA-N -1 3 440.590 5.469 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1C ZINC000010010907 556322349 /nfs/dbraw/zinc/32/23/49/556322349.db2.gz ZVSBGMFKEQXVCK-UHFFFAOYSA-N -1 3 442.968 5.329 40 0 IKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000010327782 556331821 /nfs/dbraw/zinc/33/18/21/556331821.db2.gz KEYLINQFHPLZHM-UHFFFAOYSA-N -1 3 442.968 5.275 40 0 IKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000010330514 556332146 /nfs/dbraw/zinc/33/21/46/556332146.db2.gz VWVHSCXMYDSSGG-UHFFFAOYSA-N -1 3 436.577 5.238 40 0 IKABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000030854908 556509723 /nfs/dbraw/zinc/50/97/23/556509723.db2.gz WPFVIRGUJFPYLC-UHFFFAOYSA-N -1 3 427.831 5.952 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)c(C)c1 ZINC000408923896 556520806 /nfs/dbraw/zinc/52/08/06/556520806.db2.gz HWGAKYDECBECKT-GOSISDBHSA-N -1 3 440.590 5.224 40 0 IKABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100703 556528846 /nfs/dbraw/zinc/52/88/46/556528846.db2.gz YUDVKTYLNNAFEX-QHCPKHFHSA-N -1 3 448.485 5.031 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100901245 556599844 /nfs/dbraw/zinc/59/98/44/556599844.db2.gz IBKYNEFOMSOAHD-NJYVYQBISA-N -1 3 439.298 5.045 40 0 IKABHM CC(=O)Nc1ccc(NC(=O)COc2ccc(CC(C)(C)C)cc2CC(C)(C)C)cc1[O-] ZINC000016321397 556600251 /nfs/dbraw/zinc/60/02/51/556600251.db2.gz GYUDAKPEEFMOSO-UHFFFAOYSA-N -1 3 440.584 5.545 40 0 IKABHM O=C([O-])c1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000016525970 556614400 /nfs/dbraw/zinc/61/44/00/556614400.db2.gz XXCVDVRJCOICAA-UHFFFAOYSA-N -1 3 431.919 6.060 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2Cl)cc1 ZINC000038771912 556619217 /nfs/dbraw/zinc/61/92/17/556619217.db2.gz SMQFHRZATVFNFZ-UHFFFAOYSA-N -1 3 442.968 5.627 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)cc1 ZINC000016807619 556644447 /nfs/dbraw/zinc/64/44/47/556644447.db2.gz CULJRIWTZHNXNN-UHFFFAOYSA-N -1 3 448.544 5.259 40 0 IKABHM Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000017098531 556663247 /nfs/dbraw/zinc/66/32/47/556663247.db2.gz MGSVQDYWYVTEBE-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000044848000 556669960 /nfs/dbraw/zinc/66/99/60/556669960.db2.gz XAGLLGWILKBYKS-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000013807049 556743059 /nfs/dbraw/zinc/74/30/59/556743059.db2.gz IRKTWDNRKMSRGK-ZNZIZOMTSA-N -1 3 434.495 5.199 40 0 IKABHM Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223753 556768798 /nfs/dbraw/zinc/76/87/98/556768798.db2.gz FEGKRWRVDGCGRC-SFHVURJKSA-N -1 3 444.560 5.127 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409074243 556776156 /nfs/dbraw/zinc/77/61/56/556776156.db2.gz YVNYVYINDVDOCP-LICLKQGHSA-N -1 3 433.678 6.004 40 0 IKABHM O=C([N-]c1cc(-c2nc3ncccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000019630583 556832266 /nfs/dbraw/zinc/83/22/66/556832266.db2.gz HLMJGXNGPCUPRN-UHFFFAOYSA-N -1 3 439.727 5.491 40 0 IKABHM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1Nc1ccccc1 ZINC000408801910 556858481 /nfs/dbraw/zinc/85/84/81/556858481.db2.gz WYDCEKGRICSTCZ-WFWAGITPSA-N -1 3 427.977 6.100 40 0 IKABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408949114 556898715 /nfs/dbraw/zinc/89/87/15/556898715.db2.gz DTDUYOHGDGBECP-DIFFPNOSSA-N -1 3 441.277 5.180 40 0 IKABHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958415 556900460 /nfs/dbraw/zinc/90/04/60/556900460.db2.gz YQCWTNLAEOHXBU-DIFFPNOSSA-N -1 3 441.277 5.036 40 0 IKABHM CN(C)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1Br ZINC000408988403 556910697 /nfs/dbraw/zinc/91/06/97/556910697.db2.gz HVOSYOXZMBZVCI-UHFFFAOYSA-N -1 3 432.387 5.551 40 0 IKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(Br)c1OC ZINC000408989037 556911946 /nfs/dbraw/zinc/91/19/46/556911946.db2.gz JLKCPHVCBFTMKZ-UHFFFAOYSA-N -1 3 435.343 5.113 40 0 IKABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000020037807 556970841 /nfs/dbraw/zinc/97/08/41/556970841.db2.gz YMLVPNMJEGBLCG-UHFFFAOYSA-N -1 3 449.359 5.284 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409167469 556982698 /nfs/dbraw/zinc/98/26/98/556982698.db2.gz MCXLIEXEDCCPCZ-YBEGLDIGSA-N -1 3 433.678 6.004 40 0 IKABHM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409174751 556985297 /nfs/dbraw/zinc/98/52/97/556985297.db2.gz UOYSJJZCLDFFKW-UHFFFAOYSA-N -1 3 449.359 5.366 40 0 IKABHM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020111094 556985696 /nfs/dbraw/zinc/98/56/96/556985696.db2.gz RPQCDOCDIJAERR-UHFFFAOYSA-N -1 3 428.941 5.264 40 0 IKABHM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000409176804 556995061 /nfs/dbraw/zinc/99/50/61/556995061.db2.gz YJBHMLGRMNCRMI-NTEUORMPSA-N -1 3 447.343 5.446 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 ZINC000020483509 557017345 /nfs/dbraw/zinc/01/73/45/557017345.db2.gz NJMSYAODDSPELY-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408543528 557034577 /nfs/dbraw/zinc/03/45/77/557034577.db2.gz PRVRWOKPLXCXEV-UHFFFAOYSA-N -1 3 448.523 5.127 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557836 557037923 /nfs/dbraw/zinc/03/79/23/557037923.db2.gz OEPRMSSNVGUMPC-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)N1 ZINC000408562845 557040517 /nfs/dbraw/zinc/04/05/17/557040517.db2.gz DZPVQRCRVBBFRQ-QFIPXVFZSA-N -1 3 434.458 5.217 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)N1CCCCCC1 ZINC000408584907 557045935 /nfs/dbraw/zinc/04/59/35/557045935.db2.gz WLNLXCUAFHNQRM-UHFFFAOYSA-N -1 3 442.368 5.202 40 0 IKABHM O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc(Cl)ccc1[O-] ZINC000408599870 557063704 /nfs/dbraw/zinc/06/37/04/557063704.db2.gz NHXFKGHMZAMZPC-UHFFFAOYSA-N -1 3 448.935 5.295 40 0 IKABHM COc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1OCc1ccc(Cl)cc1Cl ZINC000409264473 557078914 /nfs/dbraw/zinc/07/89/14/557078914.db2.gz FXXDIQKYCIOQDD-UHFFFAOYSA-N -1 3 427.287 5.897 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352536 557079648 /nfs/dbraw/zinc/07/96/48/557079648.db2.gz DEKHUCXCUOCCPU-PNCHPQGNSA-N -1 3 438.534 5.899 40 0 IKABHM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409254754 557081295 /nfs/dbraw/zinc/08/12/95/557081295.db2.gz IOHDUUAGGJIYLE-UHFFFAOYSA-N -1 3 441.314 6.287 40 0 IKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408687643 557099904 /nfs/dbraw/zinc/09/99/04/557099904.db2.gz URVVRVKLNWDGRF-HSZRJFAPSA-N -1 3 440.948 5.255 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(C)C ZINC000408696043 557107053 /nfs/dbraw/zinc/10/70/53/557107053.db2.gz ZCNALRXGWZOMGC-UHFFFAOYSA-N -1 3 441.618 6.220 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)c(Cl)c1)N2 ZINC000409342369 557121203 /nfs/dbraw/zinc/12/12/03/557121203.db2.gz BQABZZAENBIRHY-SIFCLUCFSA-N -1 3 430.898 5.564 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765838 557127679 /nfs/dbraw/zinc/12/76/79/557127679.db2.gz VOTPRYKFJRTSFV-UHFFFAOYSA-N -1 3 448.588 5.423 40 0 IKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccccc4Cl)ccc32)cc1 ZINC000020766035 557128061 /nfs/dbraw/zinc/12/80/61/557128061.db2.gz DDWKILMYBFNYAY-UHFFFAOYSA-N -1 3 440.952 5.042 40 0 IKABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCCC4)cc3c2)c(C)c1 ZINC000408713167 557132603 /nfs/dbraw/zinc/13/26/03/557132603.db2.gz MMGWOVQPXWMXKM-UHFFFAOYSA-N -1 3 442.606 5.253 40 0 IKABHM O=C(CSc1n[n-]c(COc2ccccc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000409386174 557141568 /nfs/dbraw/zinc/14/15/68/557141568.db2.gz RFMCWWPORPNSKO-UHFFFAOYSA-N -1 3 446.557 5.305 40 0 IKABHM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccccc1Cl ZINC000408733842 557143257 /nfs/dbraw/zinc/14/32/57/557143257.db2.gz AZFLBBHUPQBCIP-UHFFFAOYSA-N -1 3 440.952 6.312 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1ccccc1Cl ZINC000008810376 557172397 /nfs/dbraw/zinc/17/23/97/557172397.db2.gz XDIHTFLRWGARIV-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000170591313 557216509 /nfs/dbraw/zinc/21/65/09/557216509.db2.gz JSOJSWOILFOYBD-ACRUOGEOSA-N -1 3 439.298 5.045 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000102717186 557306233 /nfs/dbraw/zinc/30/62/33/557306233.db2.gz QNLQEZCOMBQHPE-QRVBRYPASA-N -1 3 445.327 5.106 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102736179 557306727 /nfs/dbraw/zinc/30/67/27/557306727.db2.gz SALBNUSWSPILRS-HKBOAZHASA-N -1 3 439.298 5.045 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102736176 557306838 /nfs/dbraw/zinc/30/68/38/557306838.db2.gz SALBNUSWSPILRS-ACRUOGEOSA-N -1 3 439.298 5.045 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102752128 557307529 /nfs/dbraw/zinc/30/75/29/557307529.db2.gz GCVWRKJCELMRCW-NEWSRXKRSA-N -1 3 445.327 5.106 40 0 IKABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C(C)(C)C)cc1 ZINC000101128603 557346679 /nfs/dbraw/zinc/34/66/79/557346679.db2.gz LNTRJTHXPKASLK-SDHOMARFSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000014038514 557420044 /nfs/dbraw/zinc/42/00/44/557420044.db2.gz WPHQQVAZGZSMPZ-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3[O-])oc2c1 ZINC000014270266 557429640 /nfs/dbraw/zinc/42/96/40/557429640.db2.gz HZMJXVXZGWLAGJ-UHFFFAOYSA-N -1 3 443.484 5.382 40 0 IKABHM CCCCCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000014608496 557448522 /nfs/dbraw/zinc/44/85/22/557448522.db2.gz DMXWDBOBJXEMPZ-UHFFFAOYSA-N -1 3 444.623 5.113 40 0 IKABHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 ZINC000223317655 557458753 /nfs/dbraw/zinc/45/87/53/557458753.db2.gz TYGSYJODHLBXRN-UHFFFAOYSA-N -1 3 436.577 6.056 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1C ZINC000223413665 557469050 /nfs/dbraw/zinc/46/90/50/557469050.db2.gz DLCNNTGIWHKCCP-UHFFFAOYSA-N -1 3 425.594 5.581 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3[O-])nc2c1 ZINC000017097579 557479496 /nfs/dbraw/zinc/47/94/96/557479496.db2.gz JEPGYRHGVIZJBS-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000017097571 557479529 /nfs/dbraw/zinc/47/95/29/557479529.db2.gz XOXQEEFMIQQMDK-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc2O1 ZINC000223661307 557498953 /nfs/dbraw/zinc/49/89/53/557498953.db2.gz VIHJIXYRDKUBJC-UHFFFAOYSA-N -1 3 439.602 5.883 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000224057328 557552700 /nfs/dbraw/zinc/55/27/00/557552700.db2.gz BSPJFZDEWDWIJT-UHFFFAOYSA-N -1 3 438.549 5.180 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 ZINC000224060650 557553336 /nfs/dbraw/zinc/55/33/36/557553336.db2.gz NMEGEMHTVJTANK-UHFFFAOYSA-N -1 3 438.549 5.180 40 0 IKABHM CC(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000224080130 557557435 /nfs/dbraw/zinc/55/74/35/557557435.db2.gz YYKPFXVVJGBYNT-UHFFFAOYSA-N -1 3 440.540 5.022 40 0 IKABHM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000224523851 557616508 /nfs/dbraw/zinc/61/65/08/557616508.db2.gz ZQTQCKQOLBVNET-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 ZINC000224535188 557617872 /nfs/dbraw/zinc/61/78/72/557617872.db2.gz RPWFBKWSKHLQAJ-UHFFFAOYSA-N -1 3 446.981 5.180 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 ZINC000224537199 557617906 /nfs/dbraw/zinc/61/79/06/557617906.db2.gz CXSUQSVKJIGZDU-GOSISDBHSA-N -1 3 440.590 5.056 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)c1cccs1 ZINC000224539872 557618588 /nfs/dbraw/zinc/61/85/88/557618588.db2.gz PRVYQLBDVWRWSK-UHFFFAOYSA-N -1 3 427.334 5.108 40 0 IKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccco1 ZINC000224595746 557628782 /nfs/dbraw/zinc/62/87/82/557628782.db2.gz GFSPSTCSSRWDOY-DNQXCXABSA-N -1 3 444.560 5.024 40 0 IKABHM Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224596769 557629104 /nfs/dbraw/zinc/62/91/04/557629104.db2.gz FBEJSNGHWQKRKW-DNQXCXABSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCCC1 ZINC000224600197 557629466 /nfs/dbraw/zinc/62/94/66/557629466.db2.gz HNFFKWAMFXJDJS-LOSJGSFVSA-N -1 3 446.620 5.888 40 0 IKABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611297 557630609 /nfs/dbraw/zinc/63/06/09/557630609.db2.gz KVORUJFALZDSPE-RPWUZVMVSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1C ZINC000224614621 557631195 /nfs/dbraw/zinc/63/11/95/557631195.db2.gz AZJNBVNXBIWLCP-LOSJGSFVSA-N -1 3 440.572 5.372 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224615605 557631380 /nfs/dbraw/zinc/63/13/80/557631380.db2.gz JOPLIUQKVKFZBX-PKTZIBPZSA-N -1 3 445.569 5.709 40 0 IKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028207126 557647721 /nfs/dbraw/zinc/64/77/21/557647721.db2.gz LDYOHJMQSLVLFC-LJQANCHMSA-N -1 3 434.561 5.004 40 0 IKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CC1 ZINC000224863223 557659892 /nfs/dbraw/zinc/65/98/92/557659892.db2.gz PCTZAHKKRMXZKA-VXKWHMMOSA-N -1 3 438.984 5.371 40 0 IKABHM CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224865838 557660092 /nfs/dbraw/zinc/66/00/92/557660092.db2.gz FEYGUVDSBJFYMJ-UXHICEINSA-N -1 3 426.973 5.174 40 0 IKABHM CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224866598 557660243 /nfs/dbraw/zinc/66/02/43/557660243.db2.gz VHNKOSYJXRABHR-LEWJYISDSA-N -1 3 426.973 5.056 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224884838 557662294 /nfs/dbraw/zinc/66/22/94/557662294.db2.gz GCLHXAXITOXGPV-VXKWHMMOSA-N -1 3 438.984 5.534 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000224884878 557662296 /nfs/dbraw/zinc/66/22/96/557662296.db2.gz GCLHXAXITOXGPV-YADHBBJMSA-N -1 3 438.984 5.534 40 0 IKABHM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000225051722 557683195 /nfs/dbraw/zinc/68/31/95/557683195.db2.gz XCTZPFQQROOTAQ-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c2ccccc2O1 ZINC000225299668 557710084 /nfs/dbraw/zinc/71/00/84/557710084.db2.gz QSQKDTWMOAMFBO-CQSZACIVSA-N -1 3 444.380 5.363 40 0 IKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)C(C)C ZINC000225613931 557752158 /nfs/dbraw/zinc/75/21/58/557752158.db2.gz OOKLLJJEKLJZTM-UHFFFAOYSA-N -1 3 433.382 5.111 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000059132925 557815043 /nfs/dbraw/zinc/81/50/43/557815043.db2.gz LOEDIQPXWVOHHN-UHFFFAOYSA-N -1 3 442.540 5.715 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 ZINC000059115799 557815085 /nfs/dbraw/zinc/81/50/85/557815085.db2.gz ZGLPTJQJTTZSQK-UHFFFAOYSA-N -1 3 429.929 5.402 40 0 IKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000059475325 557824711 /nfs/dbraw/zinc/82/47/11/557824711.db2.gz GDMHUKZYQXWVMY-UHFFFAOYSA-N -1 3 436.924 5.024 40 0 IKABHM O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483602 557825055 /nfs/dbraw/zinc/82/50/55/557825055.db2.gz LYVGQJAHXBQXED-RUZDIDTESA-N -1 3 427.931 6.083 40 0 IKABHM O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483600 557825087 /nfs/dbraw/zinc/82/50/87/557825087.db2.gz LYVGQJAHXBQXED-VWLOTQADSA-N -1 3 427.931 6.083 40 0 IKABHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279218 568788265 /nfs/dbraw/zinc/78/82/65/568788265.db2.gz JWOXGBPNHNPCOG-QHCPKHFHSA-N -1 3 444.332 5.897 40 0 IKABHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279218 568788267 /nfs/dbraw/zinc/78/82/67/568788267.db2.gz JWOXGBPNHNPCOG-QHCPKHFHSA-N -1 3 444.332 5.897 40 0 IKABHM Cc1cc(NC(=O)c2cccc3c(Br)cccc23)cc(Br)c1[O-] ZINC000226242644 569177867 /nfs/dbraw/zinc/17/78/67/569177867.db2.gz QYKQJMPHHIOCDT-UHFFFAOYSA-N -1 3 435.115 5.631 40 0 IKABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1Cl ZINC000021112825 569241485 /nfs/dbraw/zinc/24/14/85/569241485.db2.gz WUKQXKUPLYGWMM-UHFFFAOYSA-N -1 3 443.743 5.075 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206681 569242667 /nfs/dbraw/zinc/24/26/67/569242667.db2.gz KIMIGAZQUARLBT-UHFFFAOYSA-N -1 3 434.561 5.033 40 0 IKABHM CCC(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(F)cc2)C1 ZINC000257226388 569276386 /nfs/dbraw/zinc/27/63/86/569276386.db2.gz FKLFMYGMGPKGNH-ZVDOUQERSA-N -1 3 436.321 5.172 40 0 IKABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc1OC2(C)C ZINC000257323740 569279209 /nfs/dbraw/zinc/27/92/09/569279209.db2.gz WLQIVKBCVXNHKR-MBWHEUGSSA-N -1 3 448.607 5.087 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C(C)C)cc3)sc2c1 ZINC000032118682 569583642 /nfs/dbraw/zinc/58/36/42/569583642.db2.gz KDYGUBSIUUIFFM-UHFFFAOYSA-N -1 3 441.622 5.654 40 0 IKABHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3ccccc3Cl)c2)cc1 ZINC000020457049 519022803 /nfs/dbraw/zinc/02/28/03/519022803.db2.gz LSVBTMLQRVIRSU-UHFFFAOYSA-N -1 3 441.980 5.810 40 0 IKABHM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022520228 519846599 /nfs/dbraw/zinc/84/65/99/519846599.db2.gz RMLJKJPQEYYDOR-UHFFFAOYSA-N -1 3 428.941 5.517 40 0 IKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000020572814 521383804 /nfs/dbraw/zinc/38/38/04/521383804.db2.gz MOGZTUJHGUCOSH-UHFFFAOYSA-N -1 3 446.912 5.387 40 0 IKABHM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020459337 524065931 /nfs/dbraw/zinc/06/59/31/524065931.db2.gz VVRXIXBVJKDERA-UHFFFAOYSA-N -1 3 428.941 5.264 40 0 IKABHM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000020462661 524305546 /nfs/dbraw/zinc/30/55/46/524305546.db2.gz BZCAATWEOWICLO-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2Cl)cc1 ZINC000020492128 525600268 /nfs/dbraw/zinc/60/02/68/525600268.db2.gz SWSRTCOBUUFVMC-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)cc2Cl)cc1 ZINC000020453298 525600692 /nfs/dbraw/zinc/60/06/92/525600692.db2.gz LFMWLHDWEJECMK-UHFFFAOYSA-N -1 3 449.359 5.033 40 0 IKABHM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000022508816 526177649 /nfs/dbraw/zinc/17/76/49/526177649.db2.gz GNKTXNSUMIZCFH-UHFFFAOYSA-N -1 3 446.981 5.423 40 0 IKABHM O=C(Nc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020495389 527296737 /nfs/dbraw/zinc/29/67/37/527296737.db2.gz PCZZYVDJSZUWOM-UHFFFAOYSA-N -1 3 436.920 5.546 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408582944 555934186 /nfs/dbraw/zinc/93/41/86/555934186.db2.gz GJAKILUROBSMQE-UHFFFAOYSA-N -1 3 429.586 5.238 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c(C)c1 ZINC000010010913 556322439 /nfs/dbraw/zinc/32/24/39/556322439.db2.gz GRHVNBIQTJZZTD-UHFFFAOYSA-N -1 3 442.968 5.329 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000014833501 556448814 /nfs/dbraw/zinc/44/88/14/556448814.db2.gz QUWHHDPLTUIAOM-MKMNVTDBSA-N -1 3 440.952 5.410 40 0 IKABHM O=C(Nc1c(-c2nc3ccccc3[n-]2)sc(=S)n1-c1ccccc1)c1ccccc1 ZINC000013220285 556498973 /nfs/dbraw/zinc/49/89/73/556498973.db2.gz POXQBCXFEVHDMD-UHFFFAOYSA-N -1 3 428.542 6.064 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2Cl)cc1 ZINC000030860951 556510955 /nfs/dbraw/zinc/51/09/55/556510955.db2.gz YDQDHSDXMUJYIG-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015588065 556536218 /nfs/dbraw/zinc/53/62/18/556536218.db2.gz SULIOMLSBMDWEC-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM Cc1ccc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1Cl ZINC000013634056 556540134 /nfs/dbraw/zinc/54/01/34/556540134.db2.gz WILODQGANPXEHV-UHFFFAOYSA-N -1 3 434.352 5.136 40 0 IKABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408949117 556548200 /nfs/dbraw/zinc/54/82/00/556548200.db2.gz DTDUYOHGDGBECP-GTNSWQLSSA-N -1 3 441.277 5.180 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl ZINC000016196268 556590479 /nfs/dbraw/zinc/59/04/79/556590479.db2.gz BDNXHUWMMFWCPA-UHFFFAOYSA-N -1 3 446.330 5.569 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100901254 556599940 /nfs/dbraw/zinc/59/99/40/556599940.db2.gz IBKYNEFOMSOAHD-ACRUOGEOSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1C ZINC000100934281 556612135 /nfs/dbraw/zinc/61/21/35/556612135.db2.gz DJOYRLBCLJOQFF-PFBJBMPXSA-N -1 3 448.522 5.508 40 0 IKABHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl ZINC000038752081 556615842 /nfs/dbraw/zinc/61/58/42/556615842.db2.gz WSDBXKYRYBZDOB-NRFANRHFSA-N -1 3 436.360 5.378 40 0 IKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016688522 556626287 /nfs/dbraw/zinc/62/62/87/556626287.db2.gz PKQDVUADVUYZKB-UHFFFAOYSA-N -1 3 443.902 5.445 40 0 IKABHM CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101090329 556654463 /nfs/dbraw/zinc/65/44/63/556654463.db2.gz ZVBJMQNTKVGGNM-QKDODKLFSA-N -1 3 448.522 5.453 40 0 IKABHM Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000017098548 556663226 /nfs/dbraw/zinc/66/32/26/556663226.db2.gz FGEJEUSYSAFMSD-UHFFFAOYSA-N -1 3 433.558 5.033 40 0 IKABHM O=C([N-]c1cc(-c2nc3ccccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000017102754 556666931 /nfs/dbraw/zinc/66/69/31/556666931.db2.gz VYVWKOMIJVVFFN-UHFFFAOYSA-N -1 3 438.739 6.096 40 0 IKABHM O=C([N-]c1cc2nn(-c3ccccc3)nc2cc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000017102764 556666970 /nfs/dbraw/zinc/66/69/70/556666970.db2.gz LSAFGYRZALNOCO-UHFFFAOYSA-N -1 3 438.743 5.022 40 0 IKABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000044839733 556668142 /nfs/dbraw/zinc/66/81/42/556668142.db2.gz QYRLODKRNSOUPG-QGZVFWFLSA-N -1 3 442.968 5.249 40 0 IKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044899920 556676643 /nfs/dbraw/zinc/67/66/43/556676643.db2.gz YRYVSBRJCUXGEH-HXUWFJFHSA-N -1 3 428.941 5.022 40 0 IKABHM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)ccc21 ZINC000044949231 556684124 /nfs/dbraw/zinc/68/41/24/556684124.db2.gz JDRGYKZZTCOBCU-UHFFFAOYSA-N -1 3 441.940 5.092 40 0 IKABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1cccc2ccccc21 ZINC000000892349 556740199 /nfs/dbraw/zinc/74/01/99/556740199.db2.gz OLXNACMUONWBJL-UHFFFAOYSA-N -1 3 427.485 5.479 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000002329047 556760886 /nfs/dbraw/zinc/76/08/86/556760886.db2.gz QMPCFFAWGGZZJL-SDHSZQHLSA-N -1 3 440.543 5.344 40 0 IKABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000970954 556761949 /nfs/dbraw/zinc/76/19/49/556761949.db2.gz LFMWBOWFEAJNTH-UHFFFAOYSA-N -1 3 430.700 5.133 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000001223765 556768685 /nfs/dbraw/zinc/76/86/85/556768685.db2.gz LSLWQMPVTWGYCC-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(Br)cc1[O-] ZINC000409102139 556795841 /nfs/dbraw/zinc/79/58/41/556795841.db2.gz UXLPRJQEADTPLI-XGICHPGQSA-N -1 3 428.204 5.065 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409106947 556799450 /nfs/dbraw/zinc/79/94/50/556799450.db2.gz QCBYREMBDWLACF-YVLHZVERSA-N -1 3 433.678 6.004 40 0 IKABHM Cc1ccc([C@H]2c3c(-c4ccccc4)n[n-]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006407379 556834562 /nfs/dbraw/zinc/83/45/62/556834562.db2.gz PEEJRTKTLZHGAV-QHCPKHFHSA-N -1 3 433.433 6.154 40 0 IKABHM Cc1ccc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006407379 556834565 /nfs/dbraw/zinc/83/45/65/556834565.db2.gz PEEJRTKTLZHGAV-QHCPKHFHSA-N -1 3 433.433 6.154 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1C ZINC000019646378 556840424 /nfs/dbraw/zinc/84/04/24/556840424.db2.gz PAQXXNICPFDGMB-UHFFFAOYSA-N -1 3 447.585 5.721 40 0 IKABHM O=c1[n-]c(-c2ccc(Sc3cccc4cccnc43)o2)nc2sc3c(c21)CCCCC3 ZINC000408994541 556913035 /nfs/dbraw/zinc/91/30/35/556913035.db2.gz ZPFIGUOIBDTHCE-UHFFFAOYSA-N -1 3 445.569 6.625 40 0 IKABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)S1 ZINC000409136600 556969597 /nfs/dbraw/zinc/96/95/97/556969597.db2.gz XSPCISPCMMGPRE-IDUWFGFVSA-N -1 3 447.741 5.429 40 0 IKABHM O=C1[N-]C(=Cc2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409167451 556980682 /nfs/dbraw/zinc/98/06/82/556980682.db2.gz LJUWMVGKBLCUGP-LDADJPATSA-N -1 3 431.801 5.247 40 0 IKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409172566 556986031 /nfs/dbraw/zinc/98/60/31/556986031.db2.gz KUSPNTSNQJCPOR-MRXNPFEDSA-N -1 3 444.553 5.054 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000409181634 556989614 /nfs/dbraw/zinc/98/96/14/556989614.db2.gz FDJCVCBRHNIHNN-GIJQJNRQSA-N -1 3 448.588 5.745 40 0 IKABHM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000408546086 557035762 /nfs/dbraw/zinc/03/57/62/557035762.db2.gz CCRQHKKBGGNWKS-XNTDXEJSSA-N -1 3 426.925 5.101 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408553415 557036103 /nfs/dbraw/zinc/03/61/03/557036103.db2.gz WCEVXHUSKNEDSU-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550615 557036421 /nfs/dbraw/zinc/03/64/21/557036421.db2.gz FRUBLVRJIPSBAD-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408558554 557038200 /nfs/dbraw/zinc/03/82/00/557038200.db2.gz RWZMMUUIPOZKNQ-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1 ZINC000408559132 557038450 /nfs/dbraw/zinc/03/84/50/557038450.db2.gz VSOUSPKTUBJHBF-UHFFFAOYSA-N -1 3 438.549 5.262 40 0 IKABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000408563574 557040708 /nfs/dbraw/zinc/04/07/08/557040708.db2.gz OIVQUUNMACWVLR-DENIHFKCSA-N -1 3 438.490 5.143 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1F ZINC000408576472 557043013 /nfs/dbraw/zinc/04/30/13/557043013.db2.gz VTNHOJSONMEYFH-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408606351 557069460 /nfs/dbraw/zinc/06/94/60/557069460.db2.gz LPFPHIGPLVZGAM-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408679843 557098102 /nfs/dbraw/zinc/09/81/02/557098102.db2.gz LYBMSUUYTJHQRU-UHFFFAOYSA-N -1 3 440.590 5.469 40 0 IKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408687645 557099913 /nfs/dbraw/zinc/09/99/13/557099913.db2.gz URVVRVKLNWDGRF-QHCPKHFHSA-N -1 3 440.948 5.255 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352530 557130804 /nfs/dbraw/zinc/13/08/04/557130804.db2.gz DEKHUCXCUOCCPU-IEGUWTFLSA-N -1 3 438.534 5.899 40 0 IKABHM CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c1 ZINC000409386844 557141931 /nfs/dbraw/zinc/14/19/31/557141931.db2.gz NSKZGMVXRYBPPD-UHFFFAOYSA-N -1 3 448.573 5.093 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 ZINC000216352207 557144072 /nfs/dbraw/zinc/14/40/72/557144072.db2.gz HACZWQQQMIKWPJ-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3C)cc2Cl)cc1 ZINC000216422663 557146035 /nfs/dbraw/zinc/14/60/35/557146035.db2.gz AGCSANYEYUFHLB-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 ZINC000216448635 557146765 /nfs/dbraw/zinc/14/67/65/557146765.db2.gz JOJVDRJSBALKMD-NRFANRHFSA-N -1 3 442.968 5.330 40 0 IKABHM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000024613757 557156136 /nfs/dbraw/zinc/15/61/36/557156136.db2.gz QOACYJPPQBNHGW-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1cccc(Cl)c1 ZINC000008810217 557172095 /nfs/dbraw/zinc/17/20/95/557172095.db2.gz NOFYTNVTFCVHCV-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000009064912 557181400 /nfs/dbraw/zinc/18/14/00/557181400.db2.gz QMAYQHUPJGXIJY-UHFFFAOYSA-N -1 3 445.544 5.506 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101133849 557369580 /nfs/dbraw/zinc/36/95/80/557369580.db2.gz QMPCFFAWGGZZJL-GVAUOCQISA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000101147560 557389714 /nfs/dbraw/zinc/38/97/14/557389714.db2.gz LDNOEDBPXLUFCK-SDHOMARFSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000013997895 557402561 /nfs/dbraw/zinc/40/25/61/557402561.db2.gz SQLUTVTZAGYSPA-UHFFFAOYSA-N -1 3 429.929 5.402 40 0 IKABHM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000014269711 557428894 /nfs/dbraw/zinc/42/88/94/557428894.db2.gz FFZKUIKWHISKMQ-UHFFFAOYSA-N -1 3 449.557 5.113 40 0 IKABHM O=C(COc1ccc(Cl)cc1Cl)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016431206 557473345 /nfs/dbraw/zinc/47/33/45/557473345.db2.gz JOJQYGFEOGQKEZ-UHFFFAOYSA-N -1 3 446.768 5.149 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3[O-])oc2c(C)c1 ZINC000017097570 557479473 /nfs/dbraw/zinc/47/94/73/557479473.db2.gz VMZXOHUUHAVENS-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000017097584 557479489 /nfs/dbraw/zinc/47/94/89/557479489.db2.gz LVOTVVHFESWTQS-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM Cc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000017097569 557479536 /nfs/dbraw/zinc/47/95/36/557479536.db2.gz PIMMESSBCDVVFI-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000017098541 557481493 /nfs/dbraw/zinc/48/14/93/557481493.db2.gz NRVUOXOXRRGSSP-UHFFFAOYSA-N -1 3 433.558 5.358 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3[O-])oc2c(C)c1 ZINC000017099496 557483044 /nfs/dbraw/zinc/48/30/44/557483044.db2.gz FVITYWYTDTZJAS-UHFFFAOYSA-N -1 3 435.480 5.083 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3[O-])nc2c1 ZINC000017099504 557483318 /nfs/dbraw/zinc/48/33/18/557483318.db2.gz TTWQMARROLDVJM-UHFFFAOYSA-N -1 3 435.480 5.029 40 0 IKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1cccc(OCc2ccccc2)c1 ZINC000017095872 557487065 /nfs/dbraw/zinc/48/70/65/557487065.db2.gz WSJKMRWDJQDWLI-UHFFFAOYSA-N -1 3 428.513 5.251 40 0 IKABHM CCc1cc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC ZINC000223681786 557501550 /nfs/dbraw/zinc/50/15/50/557501550.db2.gz BZTGMXMWQCNHBS-UHFFFAOYSA-N -1 3 425.594 5.526 40 0 IKABHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)ccc3[O-])o2)cc1Cl ZINC000019645658 557504933 /nfs/dbraw/zinc/50/49/33/557504933.db2.gz CKWBESKJBBQNHC-RMKNXTFCSA-N -1 3 447.343 5.794 40 0 IKABHM CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000223962473 557535032 /nfs/dbraw/zinc/53/50/32/557535032.db2.gz KWVSQMMDQUXWDD-HSZRJFAPSA-N -1 3 440.540 5.144 40 0 IKABHM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(C)cc1C ZINC000223964179 557535313 /nfs/dbraw/zinc/53/53/13/557535313.db2.gz WKZUPMZURHFBKQ-QFIPXVFZSA-N -1 3 440.540 5.124 40 0 IKABHM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000224523491 557616175 /nfs/dbraw/zinc/61/61/75/557616175.db2.gz IYOQUWMCIOCIMJ-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000224524369 557616525 /nfs/dbraw/zinc/61/65/25/557616525.db2.gz GDHYJYOOSKOAPL-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000224528798 557617146 /nfs/dbraw/zinc/61/71/46/557617146.db2.gz JPZZKJPOPFDBTA-AWNIVKPZSA-N -1 3 447.343 5.446 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 ZINC000224537245 557617968 /nfs/dbraw/zinc/61/79/68/557617968.db2.gz CXSUQSVKJIGZDU-SFHVURJKSA-N -1 3 440.590 5.056 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)C1CCCCC1 ZINC000224556909 557622756 /nfs/dbraw/zinc/62/27/56/557622756.db2.gz QBTYYURKBPOXMD-UHFFFAOYSA-N -1 3 427.353 5.313 40 0 IKABHM CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224563480 557624064 /nfs/dbraw/zinc/62/40/64/557624064.db2.gz UZZOUOLWOCZSRU-UHFFFAOYSA-N -1 3 444.940 5.180 40 0 IKABHM O=C(CCc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224567774 557624914 /nfs/dbraw/zinc/62/49/14/557624914.db2.gz SDRUUYADVFDUCT-UHFFFAOYSA-N -1 3 448.519 5.351 40 0 IKABHM Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224611184 557630603 /nfs/dbraw/zinc/63/06/03/557630603.db2.gz BBDBZTLCAKSBCB-ZEQRLZLVSA-N -1 3 426.545 5.063 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224616209 557631461 /nfs/dbraw/zinc/63/14/61/557631461.db2.gz HKHJPKROTUZHMF-GOTSBHOMSA-N -1 3 431.492 5.363 40 0 IKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CC1 ZINC000224863184 557659832 /nfs/dbraw/zinc/65/98/32/557659832.db2.gz PCTZAHKKRMXZKA-FCHUYYIVSA-N -1 3 438.984 5.371 40 0 IKABHM CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224865801 557660021 /nfs/dbraw/zinc/66/00/21/557660021.db2.gz FEYGUVDSBJFYMJ-WOJBJXKFSA-N -1 3 426.973 5.174 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224884916 557662337 /nfs/dbraw/zinc/66/23/37/557662337.db2.gz GCLHXAXITOXGPV-FCHUYYIVSA-N -1 3 438.984 5.534 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 ZINC000224884952 557662397 /nfs/dbraw/zinc/66/23/97/557662397.db2.gz GCLHXAXITOXGPV-FGZHOGPDSA-N -1 3 438.984 5.534 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(Cl)c1 ZINC000224997466 557675391 /nfs/dbraw/zinc/67/53/91/557675391.db2.gz HSLHOPJWTUZLJP-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000225007454 557676833 /nfs/dbraw/zinc/67/68/33/557676833.db2.gz JBMLCGUVYGLHBR-UHFFFAOYSA-N -1 3 441.618 6.220 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000225056069 557683527 /nfs/dbraw/zinc/68/35/27/557683527.db2.gz GWRNCQKMFQQGIC-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 ZINC000059132966 557814950 /nfs/dbraw/zinc/81/49/50/557814950.db2.gz JDPCHUMIIUGOBJ-OVCLIPMQSA-N -1 3 426.925 5.101 40 0 IKABHM O=C([N-]c1c2nsnc2ccc1Cl)c1ccc(-c2ccc(Br)cc2)o1 ZINC000059294173 557819671 /nfs/dbraw/zinc/81/96/71/557819671.db2.gz GQXAZUSXXYZTHE-UHFFFAOYSA-N -1 3 434.702 5.620 40 0 IKABHM Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059474668 557824399 /nfs/dbraw/zinc/82/43/99/557824399.db2.gz PPPCMJDZSQECNH-OAQYLSRUSA-N -1 3 434.750 6.109 40 0 IKABHM COc1ccc(-c2coc3c4c(c(CC=C(C)C)c([O-])c3c2=O)OC(C)(C)C=C4)cc1OC ZINC000001583703 568941527 /nfs/dbraw/zinc/94/15/27/568941527.db2.gz LQYJACCCVUEHFD-UHFFFAOYSA-N -1 3 448.515 5.876 40 0 IKABHM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000195671138 569140408 /nfs/dbraw/zinc/14/04/08/569140408.db2.gz ORLDMBFPLNDCNV-UHFFFAOYSA-N -1 3 426.563 5.078 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc(Br)c1[O-] ZINC000226243643 569177811 /nfs/dbraw/zinc/17/78/11/569177811.db2.gz QRXWLIFPSPKJKP-UHFFFAOYSA-N -1 3 449.757 5.397 40 0 IKABHM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000010039322 569220845 /nfs/dbraw/zinc/22/08/45/569220845.db2.gz BUVIKYZZODHKDF-AWNIVKPZSA-N -1 3 447.343 5.446 40 0 IKABHM Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000010332942 569223381 /nfs/dbraw/zinc/22/33/81/569223381.db2.gz KGQZWZNTFKADAF-UHFFFAOYSA-N -1 3 430.913 5.065 40 0 IKABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1Cl ZINC000021112830 569241476 /nfs/dbraw/zinc/24/14/76/569241476.db2.gz NEAJIKAUDLUNEO-UHFFFAOYSA-N -1 3 443.743 5.075 40 0 IKABHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000033729760 569246183 /nfs/dbraw/zinc/24/61/83/569246183.db2.gz XJJJAWLZFRRFBX-UHFFFAOYSA-N -1 3 441.505 5.149 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038188615 569248776 /nfs/dbraw/zinc/24/87/76/569248776.db2.gz FDWPOLVGLPYYKR-UHFFFAOYSA-N -1 3 448.523 5.127 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@H]21 ZINC000257202962 569275656 /nfs/dbraw/zinc/27/56/56/569275656.db2.gz AOAFXEMCQCJBLD-TUUKDFBESA-N -1 3 441.955 5.178 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@@H]3C[C@H]21 ZINC000257345091 569279988 /nfs/dbraw/zinc/27/99/88/569279988.db2.gz ZZXPGTDJAKUMGZ-HWLQVEPHSA-N -1 3 441.955 5.178 40 0 IKABHM O=C([O-])C1CCN(Cc2c(-c3ccc(-c4ccccc4)cc3)nc3ccc(Cl)cn32)CC1 ZINC000002528857 569407777 /nfs/dbraw/zinc/40/77/77/569407777.db2.gz NGLHSHVFFKGHCX-UHFFFAOYSA-N -1 3 445.950 5.618 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(CC)cc3)sc2c1 ZINC000032119052 569583623 /nfs/dbraw/zinc/58/36/23/569583623.db2.gz HRZZZQSUIJDXOV-UHFFFAOYSA-N -1 3 427.595 5.093 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C)c(C)c3)sc2c1 ZINC000032118821 569583632 /nfs/dbraw/zinc/58/36/32/569583632.db2.gz HGZZNSLKUYLXMO-UHFFFAOYSA-N -1 3 427.595 5.148 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(Cl)cc3)sc2c1 ZINC000032118778 569583635 /nfs/dbraw/zinc/58/36/35/569583635.db2.gz SQKTXKOYOBSHQD-UHFFFAOYSA-N -1 3 433.986 5.184 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 ZINC000408608769 193976681 /nfs/dbraw/zinc/97/66/81/193976681.db2.gz PQIJKUKYBDDHJZ-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM CC(=O)Oc1c(Cl)c(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000035686167 519758393 /nfs/dbraw/zinc/75/83/93/519758393.db2.gz GUFDOSLPLHUQMM-UHFFFAOYSA-N -1 3 444.723 5.526 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F ZINC000016195890 522464545 /nfs/dbraw/zinc/46/45/45/522464545.db2.gz XVNJBHJGZAXVAZ-UHFFFAOYSA-N -1 3 429.875 5.055 40 0 IKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020495082 523062337 /nfs/dbraw/zinc/06/23/37/523062337.db2.gz LWIZRNSBIHRSGK-UHFFFAOYSA-N -1 3 446.528 5.210 40 0 IKABHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000020494310 524327812 /nfs/dbraw/zinc/32/78/12/524327812.db2.gz TYMSDNNKSOXJJF-UHFFFAOYSA-N -1 3 435.589 5.941 40 0 IKABHM O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1cc(F)ccc1[O-] ZINC000013567136 527081020 /nfs/dbraw/zinc/08/10/20/527081020.db2.gz VLMRJBRMGWQAGY-UHFFFAOYSA-N -1 3 429.523 5.148 40 0 IKABHM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)cc12 ZINC000012474942 527555941 /nfs/dbraw/zinc/55/59/41/527555941.db2.gz HXNZAUARUCKOMR-UHFFFAOYSA-N -1 3 449.536 5.229 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c(CC(O)(c2ccccc2)c2ccccc2)c1 ZINC000001872858 555722272 /nfs/dbraw/zinc/72/22/72/555722272.db2.gz CEEOKBBHSMHGJL-UHFFFAOYSA-N -1 3 443.568 5.274 40 0 IKABHM CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000005948925 556070385 /nfs/dbraw/zinc/07/03/85/556070385.db2.gz WXHIDOAKAONPLM-UHFFFAOYSA-N -1 3 447.516 5.034 40 0 IKABHM CCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000005949433 556070417 /nfs/dbraw/zinc/07/04/17/556070417.db2.gz OGTIIHKQLBAXFL-UHFFFAOYSA-N -1 3 447.516 5.034 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000010010916 556322508 /nfs/dbraw/zinc/32/25/08/556322508.db2.gz CLHFYZWDJRWWBF-UHFFFAOYSA-N -1 3 442.968 5.329 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000014833521 556448994 /nfs/dbraw/zinc/44/89/94/556448994.db2.gz PIAGOZVKUUSZOJ-OVCLIPMQSA-N -1 3 440.952 5.410 40 0 IKABHM O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030027966 556489482 /nfs/dbraw/zinc/48/94/82/556489482.db2.gz WYNDGMJHCNIWHT-UHFFFAOYSA-N -1 3 446.503 5.546 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408907447 556494448 /nfs/dbraw/zinc/49/44/48/556494448.db2.gz ODZOBOQHULXPFA-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408909650 556496591 /nfs/dbraw/zinc/49/65/91/556496591.db2.gz HPMFVXADNWHJNI-NTEUORMPSA-N -1 3 447.343 5.446 40 0 IKABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030847850 556507800 /nfs/dbraw/zinc/50/78/00/556507800.db2.gz CTROHXLNSKIVIL-KRWDZBQOSA-N -1 3 442.968 5.249 40 0 IKABHM CC(C)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030854787 556509814 /nfs/dbraw/zinc/50/98/14/556509814.db2.gz JVBLINWWHZNSPO-UHFFFAOYSA-N -1 3 428.941 5.517 40 0 IKABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100706 556528704 /nfs/dbraw/zinc/52/87/04/556528704.db2.gz YUDVKTYLNNAFEX-HSZRJFAPSA-N -1 3 448.485 5.031 40 0 IKABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408949111 556548150 /nfs/dbraw/zinc/54/81/50/556548150.db2.gz DTDUYOHGDGBECP-APPDUMDISA-N -1 3 441.277 5.180 40 0 IKABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(Br)c(Cl)c1 ZINC000013679310 556555777 /nfs/dbraw/zinc/55/57/77/556555777.db2.gz BQTYMTQNGFVCOR-UHFFFAOYSA-N -1 3 429.550 5.351 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196319 556590672 /nfs/dbraw/zinc/59/06/72/556590672.db2.gz DWXYMQJGEIFKKB-UHFFFAOYSA-N -1 3 446.330 5.569 40 0 IKABHM Cc1cc2sc(NC(=S)[N-]C(=O)COc3ccc(C(C)(C)C)cc3)nc2cc1Cl ZINC000016284243 556596984 /nfs/dbraw/zinc/59/69/84/556596984.db2.gz LJCOULIOWFCZLV-UHFFFAOYSA-N -1 3 448.013 5.448 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1C ZINC000100846765 556597345 /nfs/dbraw/zinc/59/73/45/556597345.db2.gz JTNIFZSWZPIHRK-VJBWXMMDSA-N -1 3 432.907 5.008 40 0 IKABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000100946023 556615038 /nfs/dbraw/zinc/61/50/38/556615038.db2.gz SDKLWRWAVXGWGH-PVHODMMVSA-N -1 3 448.522 5.453 40 0 IKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 ZINC000038772600 556619480 /nfs/dbraw/zinc/61/94/80/556619480.db2.gz FZSRNMGZBWYGEC-OAQYLSRUSA-N -1 3 442.968 5.330 40 0 IKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000016689079 556626958 /nfs/dbraw/zinc/62/69/58/556626958.db2.gz DVKWDAIRHCTFKD-UHFFFAOYSA-N -1 3 425.912 5.306 40 0 IKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000016689268 556627347 /nfs/dbraw/zinc/62/73/47/556627347.db2.gz GUUGWFRJCNHTOD-UHFFFAOYSA-N -1 3 425.912 5.306 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1C ZINC000017097551 556661999 /nfs/dbraw/zinc/66/19/99/556661999.db2.gz BEHHXBBNCOTWFS-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM O=C(Nc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044899941 556676620 /nfs/dbraw/zinc/67/66/20/556676620.db2.gz LDJYNDUUOSBDGU-UHFFFAOYSA-N -1 3 436.920 5.546 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2sc3c(c21)CCCCC3 ZINC000408989519 556695532 /nfs/dbraw/zinc/69/55/32/556695532.db2.gz KYVBPLFQVQIEFH-UHFFFAOYSA-N -1 3 431.344 6.900 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1C ZINC000013564559 556697645 /nfs/dbraw/zinc/69/76/45/556697645.db2.gz JTNIFZSWZPIHRK-VABKMULXSA-N -1 3 432.907 5.008 40 0 IKABHM Cc1cc2cccc([N-]C(=O)c3cc(C4CCN(C(=O)c5ccccc5F)CC4)no3)c2o1 ZINC000019126702 556703492 /nfs/dbraw/zinc/70/34/92/556703492.db2.gz QHUIKNLYGCJYQT-UHFFFAOYSA-N -1 3 447.466 5.140 40 0 IKABHM Cc1cc2cccc([N-]C(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2o1 ZINC000019126693 556703585 /nfs/dbraw/zinc/70/35/85/556703585.db2.gz PUGQUUPLLDZIBU-LJQANCHMSA-N -1 3 435.524 5.268 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013617721 556704150 /nfs/dbraw/zinc/70/41/50/556704150.db2.gz IBKYNEFOMSOAHD-HKBOAZHASA-N -1 3 439.298 5.045 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1C ZINC000013648435 556707580 /nfs/dbraw/zinc/70/75/80/556707580.db2.gz DJOYRLBCLJOQFF-PVHODMMVSA-N -1 3 448.522 5.508 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013749038 556725197 /nfs/dbraw/zinc/72/51/97/556725197.db2.gz GWFDKPXTLMKEHJ-ZJOUEHCJSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223724 556768814 /nfs/dbraw/zinc/76/88/14/556768814.db2.gz HLRQZXXJANNHMX-UHFFFAOYSA-N -1 3 444.560 5.047 40 0 IKABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)S1 ZINC000409126786 556833602 /nfs/dbraw/zinc/83/36/02/556833602.db2.gz HSHWYXOWSIIQGN-IDUWFGFVSA-N -1 3 447.741 5.429 40 0 IKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccccc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000019643863 556838771 /nfs/dbraw/zinc/83/87/71/556838771.db2.gz PDDSJFWJICZCEX-VAWYXSNFSA-N -1 3 445.569 5.504 40 0 IKABHM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1Nc1ccccc1 ZINC000408801701 556858528 /nfs/dbraw/zinc/85/85/28/556858528.db2.gz WYDCEKGRICSTCZ-WENSYSQISA-N -1 3 427.977 6.100 40 0 IKABHM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000408905912 556884138 /nfs/dbraw/zinc/88/41/38/556884138.db2.gz AVBMTSYTJINPSL-UHFFFAOYSA-N -1 3 440.590 5.143 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c21)CCCCC3 ZINC000408991191 556911710 /nfs/dbraw/zinc/91/17/10/556911710.db2.gz PMLBJCYQZXJAGS-UHFFFAOYSA-N -1 3 431.344 6.900 40 0 IKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccccc1Oc1ccccc1 ZINC000019937703 556951413 /nfs/dbraw/zinc/95/14/13/556951413.db2.gz KBELWJZURNITCY-UHFFFAOYSA-N -1 3 431.879 5.064 40 0 IKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019937627 556951418 /nfs/dbraw/zinc/95/14/18/556951418.db2.gz DNEGJZBKQMDUCT-UHFFFAOYSA-N -1 3 443.117 5.232 40 0 IKABHM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(Cc3ccc(Cl)cc3Cl)c21 ZINC000409141120 556972369 /nfs/dbraw/zinc/97/23/69/556972369.db2.gz UFAOTUFBERQIND-LSCVHKIXSA-N -1 3 431.344 5.883 40 0 IKABHM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020046048 556973435 /nfs/dbraw/zinc/97/34/35/556973435.db2.gz QPCFYQVZODWSIN-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000409175213 556985549 /nfs/dbraw/zinc/98/55/49/556985549.db2.gz XTLWQKFFMNRNNI-UHFFFAOYSA-N -1 3 449.359 5.366 40 0 IKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409182889 557003201 /nfs/dbraw/zinc/00/32/01/557003201.db2.gz POZOWXYKRSSXDJ-SFHVURJKSA-N -1 3 436.927 5.383 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)NC1CCCCC1 ZINC000408550784 557036392 /nfs/dbraw/zinc/03/63/92/557036392.db2.gz HFLHTHUOWIBYHQ-UHFFFAOYSA-N -1 3 441.380 5.165 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408552561 557036625 /nfs/dbraw/zinc/03/66/25/557036625.db2.gz QWHSMUQHYDQPOT-UHFFFAOYSA-N -1 3 438.549 5.091 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552569 557036681 /nfs/dbraw/zinc/03/66/81/557036681.db2.gz QYHQJQYIFKBAJG-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408556581 557037621 /nfs/dbraw/zinc/03/76/21/557037621.db2.gz IQMJSYQDEJWFRO-UHFFFAOYSA-N -1 3 438.549 5.180 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558316 557038192 /nfs/dbraw/zinc/03/81/92/557038192.db2.gz QMBOMTSKJDBSGC-UHFFFAOYSA-N 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COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000409273156 557082672 /nfs/dbraw/zinc/08/26/72/557082672.db2.gz VYTZTHJUVNLDQY-UHFFFAOYSA-N -1 3 441.270 5.537 40 0 IKABHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408677122 557097416 /nfs/dbraw/zinc/09/74/16/557097416.db2.gz ANNXIBOTXLRDGN-UHFFFAOYSA-N -1 3 446.981 5.505 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)cc1C(C)C ZINC000408678313 557097504 /nfs/dbraw/zinc/09/75/04/557097504.db2.gz FJTDQGOLPPEPCQ-UHFFFAOYSA-N -1 3 427.591 5.912 40 0 IKABHM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408682543 557100173 /nfs/dbraw/zinc/10/01/73/557100173.db2.gz YWMPWXAVWHRHDD-UHFFFAOYSA-N -1 3 444.553 5.379 40 0 IKABHM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2C)cc1 ZINC000409412325 557108667 /nfs/dbraw/zinc/10/86/67/557108667.db2.gz JGXCQQXZPZEPAB-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)CC ZINC000408697247 557109430 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JFWUJIYHZXPUAQ-CHHVJCJISA-N -1 3 444.723 5.598 40 0 IKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106733300 557159848 /nfs/dbraw/zinc/15/98/48/557159848.db2.gz LWHHMSPNPKRNPP-PXNMLYILSA-N -1 3 442.295 5.473 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810058 557171319 /nfs/dbraw/zinc/17/13/19/557171319.db2.gz XESKLAIJOQFCCS-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000009064724 557180861 /nfs/dbraw/zinc/18/08/61/557180861.db2.gz HRUSTPRGHBWNDO-UHFFFAOYSA-N -1 3 449.557 5.113 40 0 IKABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009142345 557182068 /nfs/dbraw/zinc/18/20/68/557182068.db2.gz DSJXRYCGUXFAJX-UHFFFAOYSA-N -1 3 441.723 5.739 40 0 IKABHM Cc1c(Cl)cccc1NC(=N)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009938553 557194156 /nfs/dbraw/zinc/19/41/56/557194156.db2.gz IOVOKPCGZFAKQF-UHFFFAOYSA-N -1 3 434.352 5.136 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102736696 557306832 /nfs/dbraw/zinc/30/68/32/557306832.db2.gz QDBHHIFPYJLHRN-ACRUOGEOSA-N -1 3 439.298 5.045 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102752124 557307081 /nfs/dbraw/zinc/30/70/81/557307081.db2.gz GCVWRKJCELMRCW-WDSOQIARSA-N -1 3 445.327 5.106 40 0 IKABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000033752138 557359461 /nfs/dbraw/zinc/35/94/61/557359461.db2.gz SDKLWRWAVXGWGH-VJGNERBWSA-N -1 3 448.522 5.453 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1C ZINC000013981249 557399861 /nfs/dbraw/zinc/39/98/61/557399861.db2.gz XFAGCXSGZPUYDL-RIYZIHGNSA-N -1 3 440.952 5.410 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013997983 557402567 /nfs/dbraw/zinc/40/25/67/557402567.db2.gz XSXHVGULZAXMOM-UHFFFAOYSA-N -1 3 436.577 5.654 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)cc1C ZINC000014038485 557420079 /nfs/dbraw/zinc/42/00/79/557420079.db2.gz YPUUTIVXBFCEAG-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c(C)c1 ZINC000014038491 557420088 /nfs/dbraw/zinc/42/00/88/557420088.db2.gz ZNRSWVRCVADVJK-UHFFFAOYSA-N -1 3 438.549 5.144 40 0 IKABHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)C(C)C ZINC000223086295 557429153 /nfs/dbraw/zinc/42/91/53/557429153.db2.gz WDPHFUBFCDSMKP-UHFFFAOYSA-N -1 3 433.382 5.111 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3[O-])nc2c1 ZINC000014270309 557429746 /nfs/dbraw/zinc/42/97/46/557429746.db2.gz JSYROEXJIVBXRF-UKTHLTGXSA-N -1 3 443.528 5.289 40 0 IKABHM CC(C)(C)c1ccc(OCC(=O)[N-]C(=S)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000016323247 557472437 /nfs/dbraw/zinc/47/24/37/557472437.db2.gz FQNGCPDGRIFACD-UHFFFAOYSA-N -1 3 433.986 5.139 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4)ccc3[O-])nc2c1 ZINC000017097568 557479519 /nfs/dbraw/zinc/47/95/19/557479519.db2.gz GKLVSTNRMIVLQZ-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM COc1c(F)c(F)c(C(=O)[N-]c2nc(-c3ccc4ccccc4c3)cs2)c(F)c1F ZINC000017097881 557480209 /nfs/dbraw/zinc/48/02/09/557480209.db2.gz AQELNOJBMDXHSO-UHFFFAOYSA-N -1 3 432.398 5.781 40 0 IKABHM CCOc1cc(OCC)cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000017098926 557481925 /nfs/dbraw/zinc/48/19/25/557481925.db2.gz IZFPUBNVNPMEDE-UHFFFAOYSA-N -1 3 434.517 5.719 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3[O-])nc2c1 ZINC000017099501 557483064 /nfs/dbraw/zinc/48/30/64/557483064.db2.gz KHJWESLOIHJCOF-UHFFFAOYSA-N -1 3 435.480 5.029 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3[O-])oc2c1 ZINC000017101745 557490624 /nfs/dbraw/zinc/49/06/24/557490624.db2.gz JKQJCINXKPLWCY-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM CCCCOC(=O)c1ccc2nc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 ZINC000020411424 557520277 /nfs/dbraw/zinc/52/02/77/557520277.db2.gz XDXMKUNVPKJZRI-UHFFFAOYSA-N -1 3 444.381 5.201 40 0 IKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 ZINC000224061305 557553282 /nfs/dbraw/zinc/55/32/82/557553282.db2.gz WMIHXNZBYKOEIS-UHFFFAOYSA-N -1 3 425.594 5.581 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2Cl)cc1 ZINC000224409699 557603163 /nfs/dbraw/zinc/60/31/63/557603163.db2.gz VRMSAQUTJSEKBB-UHFFFAOYSA-N -1 3 437.005 5.394 40 0 IKABHM CCCC[C@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000224409995 557603385 /nfs/dbraw/zinc/60/33/85/557603385.db2.gz MMDHZPQCERQPPO-KRWDZBQOSA-N -1 3 437.005 5.395 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000224524067 557616502 /nfs/dbraw/zinc/61/65/02/557616502.db2.gz KZOLGLGZLBWURA-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc(Cl)cc1Cl ZINC000224526362 557616701 /nfs/dbraw/zinc/61/67/01/557616701.db2.gz NUZHMSZNQGXFHY-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1cccs1 ZINC000224539474 557618428 /nfs/dbraw/zinc/61/84/28/557618428.db2.gz DVOMQBBEKFZFGY-UHFFFAOYSA-N -1 3 427.334 5.108 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSCc3ccccc3)cc2)cc1 ZINC000224554455 557622124 /nfs/dbraw/zinc/62/21/24/557622124.db2.gz COFWABJMCITQRZ-UHFFFAOYSA-N -1 3 440.590 5.058 40 0 IKABHM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224563050 557624072 /nfs/dbraw/zinc/62/40/72/557624072.db2.gz IEPDFBRZASNCCH-UHFFFAOYSA-N -1 3 444.553 5.379 40 0 IKABHM Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224596822 557629059 /nfs/dbraw/zinc/62/90/59/557629059.db2.gz FBEJSNGHWQKRKW-RPWUZVMVSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCCC1 ZINC000224600244 557629499 /nfs/dbraw/zinc/62/94/99/557629499.db2.gz HNFFKWAMFXJDJS-DQEYMECFSA-N -1 3 446.620 5.888 40 0 IKABHM Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224611088 557630510 /nfs/dbraw/zinc/63/05/10/557630510.db2.gz BBDBZTLCAKSBCB-RPWUZVMVSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611342 557630585 /nfs/dbraw/zinc/63/05/85/557630585.db2.gz KVORUJFALZDSPE-BJKOFHAPSA-N -1 3 426.545 5.063 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224616561 557631588 /nfs/dbraw/zinc/63/15/88/557631588.db2.gz CQXLKBBTGJOMKR-DHIUTWEWSA-N -1 3 447.947 5.878 40 0 IKABHM CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224865879 557660033 /nfs/dbraw/zinc/66/00/33/557660033.db2.gz FEYGUVDSBJFYMJ-VQTJNVASSA-N -1 3 426.973 5.174 40 0 IKABHM CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224866642 557660248 /nfs/dbraw/zinc/66/02/48/557660248.db2.gz VHNKOSYJXRABHR-SFTDATJTSA-N -1 3 426.973 5.056 40 0 IKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000224866782 557660320 /nfs/dbraw/zinc/66/03/20/557660320.db2.gz CQIZSFUDQJWYJP-FCHUYYIVSA-N -1 3 441.000 5.617 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1 ZINC000224956304 557671203 /nfs/dbraw/zinc/67/12/03/557671203.db2.gz GLTTZRNTDIMKEW-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000225036466 557681363 /nfs/dbraw/zinc/68/13/63/557681363.db2.gz YNIWOTCIDWECRF-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1Cl ZINC000225270083 557707477 /nfs/dbraw/zinc/70/74/77/557707477.db2.gz CKICTRFHFUJEQC-UHFFFAOYSA-N -1 3 441.940 5.391 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Cl ZINC000225270083 557707480 /nfs/dbraw/zinc/70/74/80/557707480.db2.gz CKICTRFHFUJEQC-UHFFFAOYSA-N -1 3 441.940 5.391 40 0 IKABHM CCC1(CC)C[C@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c2ccccc2O1 ZINC000225299706 557710061 /nfs/dbraw/zinc/71/00/61/557710061.db2.gz QSQKDTWMOAMFBO-AWEZNQCLSA-N -1 3 444.380 5.363 40 0 IKABHM Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059474667 557824496 /nfs/dbraw/zinc/82/44/96/557824496.db2.gz PPPCMJDZSQECNH-NRFANRHFSA-N -1 3 434.750 6.109 40 0 IKABHM Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3cc(C(C)C)ccc3o2)c1[O-] ZINC000030830738 568865727 /nfs/dbraw/zinc/86/57/27/568865727.db2.gz SLNBYLSDGKKOSI-UHFFFAOYSA-N -1 3 427.715 5.941 40 0 IKABHM Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000059417587 569249736 /nfs/dbraw/zinc/24/97/36/569249736.db2.gz MRGJBGSRIDHTKL-UHFFFAOYSA-N -1 3 434.652 5.874 40 0 IKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(Br)c1OC ZINC000104364342 569250294 /nfs/dbraw/zinc/25/02/94/569250294.db2.gz GFSZGWGOUKMAIV-UHFFFAOYSA-N -1 3 449.370 5.503 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@@H]3C[C@H]21 ZINC000257202960 569275637 /nfs/dbraw/zinc/27/56/37/569275637.db2.gz AOAFXEMCQCJBLD-HWLQVEPHSA-N -1 3 441.955 5.178 40 0 IKABHM CC(C)CC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2[O-])O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257215671 569276019 /nfs/dbraw/zinc/27/60/19/569276019.db2.gz CREBDAYIQCUHMJ-HRXUQERBSA-N -1 3 438.406 5.342 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009462245 569296466 /nfs/dbraw/zinc/29/64/66/569296466.db2.gz VFLVERBIEIQBPN-HBMCJLEFSA-N -1 3 439.298 5.045 40 0 IKABHM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020461103 519783306 /nfs/dbraw/zinc/78/33/06/519783306.db2.gz FORTZTVUOARPNM-UHFFFAOYSA-N -1 3 444.940 5.180 40 0 IKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 ZINC000020572792 521385679 /nfs/dbraw/zinc/38/56/79/521385679.db2.gz NGVLHEYEMADCFY-CYBMUJFWSA-N -1 3 446.569 5.217 40 0 IKABHM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020495381 524069254 /nfs/dbraw/zinc/06/92/54/524069254.db2.gz FXHLOBBEXMNFRQ-UHFFFAOYSA-N -1 3 442.968 5.518 40 0 IKABHM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020489885 524382111 /nfs/dbraw/zinc/38/21/11/524382111.db2.gz KPKPHARINGGLFC-UHFFFAOYSA-N -1 3 442.968 5.030 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCCC3)cc2Cl)cc1 ZINC000020455860 525597671 /nfs/dbraw/zinc/59/76/71/525597671.db2.gz LUIRBKRAAAPNOD-UHFFFAOYSA-N -1 3 434.989 5.292 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2Cl)cc1 ZINC000020456190 525599417 /nfs/dbraw/zinc/59/94/17/525599417.db2.gz HZUJXUSKKHLYKA-OAHLLOKOSA-N -1 3 446.931 5.079 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1 ZINC000020459357 525603278 /nfs/dbraw/zinc/60/32/78/525603278.db2.gz VAEMWOKAVQSSGL-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM COc1ccc2nc(-c3ccccc3)nc(SCC(=O)c3cc(Cl)ccc3[O-])c2c1 ZINC000012708157 525657871 /nfs/dbraw/zinc/65/78/71/525657871.db2.gz NDGNPMVDYWIMSL-UHFFFAOYSA-N -1 3 436.920 5.639 40 0 IKABHM O=S(=O)([N-]c1ccc(CSc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000044905109 527248514 /nfs/dbraw/zinc/24/85/14/527248514.db2.gz BOAVSJLMCWRRKH-UHFFFAOYSA-N -1 3 447.581 6.572 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1 ZINC000408556327 555893691 /nfs/dbraw/zinc/89/36/91/555893691.db2.gz HRYMSHNNZKEVPO-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccccc1 ZINC000408557026 555894829 /nfs/dbraw/zinc/89/48/29/555894829.db2.gz KLNSDDPGPCEKSP-UHFFFAOYSA-N -1 3 438.549 5.064 40 0 IKABHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000408604195 555973782 /nfs/dbraw/zinc/97/37/82/555973782.db2.gz HRVIABMDQJRELB-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000005950093 556070780 /nfs/dbraw/zinc/07/07/80/556070780.db2.gz ACCPATVSLMPXHQ-UHFFFAOYSA-N -1 3 431.517 5.198 40 0 IKABHM CCC(CC)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CC)CC)c(O)c2)cc1[O-] ZINC000009426169 556290177 /nfs/dbraw/zinc/29/01/77/556290177.db2.gz KUEYTTWJAHJBEY-UHFFFAOYSA-N -1 3 426.557 5.438 40 0 IKABHM COc1ccccc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000009886317 556314992 /nfs/dbraw/zinc/31/49/92/556314992.db2.gz QNTCFZJZYRIKDO-UHFFFAOYSA-N -1 3 449.557 5.113 40 0 IKABHM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000014031004 556357537 /nfs/dbraw/zinc/35/75/37/556357537.db2.gz XVEXHRPMOILVER-UHFFFAOYSA-N -1 3 438.549 5.145 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1C ZINC000014833492 556448980 /nfs/dbraw/zinc/44/89/80/556448980.db2.gz PUBCMVUYCWTQJV-MKMNVTDBSA-N -1 3 440.952 5.410 40 0 IKABHM Cc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030756300 556504766 /nfs/dbraw/zinc/50/47/66/556504766.db2.gz RJHCQNFBAIDLSV-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000013646042 556543669 /nfs/dbraw/zinc/54/36/69/556543669.db2.gz MBPNPWVILVFLNN-UHFFFAOYSA-N -1 3 438.401 6.228 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000016195560 556590083 /nfs/dbraw/zinc/59/00/83/556590083.db2.gz PYASDSYRPSPBTE-UHFFFAOYSA-N -1 3 429.875 5.055 40 0 IKABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000100946029 556615096 /nfs/dbraw/zinc/61/50/96/556615096.db2.gz SDKLWRWAVXGWGH-PFBJBMPXSA-N -1 3 448.522 5.453 40 0 IKABHM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000038771119 556618833 /nfs/dbraw/zinc/61/88/33/556618833.db2.gz VAOYCIYHPAAUGL-UHFFFAOYSA-N -1 3 446.981 5.423 40 0 IKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F ZINC000016688752 556626971 /nfs/dbraw/zinc/62/69/71/556626971.db2.gz PQQLWVSOYDYZRS-UHFFFAOYSA-N -1 3 443.902 5.445 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000101012093 556643306 /nfs/dbraw/zinc/64/33/06/556643306.db2.gz LIEWMCGEEMYSGL-ZRBLBEILSA-N -1 3 432.907 5.008 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101027538 556644320 /nfs/dbraw/zinc/64/43/20/556644320.db2.gz VFLVERBIEIQBPN-HKBOAZHASA-N -1 3 439.298 5.045 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101027536 556644408 /nfs/dbraw/zinc/64/44/08/556644408.db2.gz VFLVERBIEIQBPN-NJYVYQBISA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017096503 556660240 /nfs/dbraw/zinc/66/02/40/556660240.db2.gz LWNAALNADKAZHV-VAWYXSNFSA-N -1 3 429.501 5.035 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017101755 556666263 /nfs/dbraw/zinc/66/62/63/556666263.db2.gz GYSYNYMASPOJIK-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000044901322 556677685 /nfs/dbraw/zinc/67/76/85/556677685.db2.gz VBPCELGCBQWAMO-UHFFFAOYSA-N -1 3 449.359 5.033 40 0 IKABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000044948948 556684053 /nfs/dbraw/zinc/68/40/53/556684053.db2.gz UXLJMGBGIZZYRO-UHFFFAOYSA-N -1 3 431.897 5.110 40 0 IKABHM Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000001223786 556768756 /nfs/dbraw/zinc/76/87/56/556768756.db2.gz NIOBFELBPIRAOZ-SFHVURJKSA-N -1 3 444.560 5.376 40 0 IKABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)c1C ZINC000001223754 556768867 /nfs/dbraw/zinc/76/88/67/556768867.db2.gz LKUWOLIGSWOYHX-UHFFFAOYSA-N -1 3 444.560 5.047 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000059132861 556795006 /nfs/dbraw/zinc/79/50/06/556795006.db2.gz CPCKXAIFEYYSJJ-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409100711 556796696 /nfs/dbraw/zinc/79/66/96/556796696.db2.gz WECOZJZMIRGIBJ-NMMYMHLASA-N -1 3 444.497 5.879 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 ZINC000408920215 556890858 /nfs/dbraw/zinc/89/08/58/556890858.db2.gz BKZBTTBVJPEZRA-GOSISDBHSA-N -1 3 440.590 5.224 40 0 IKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953578 556898893 /nfs/dbraw/zinc/89/88/93/556898893.db2.gz MDSSHBYGCKDBGW-OAQYLSRUSA-N -1 3 428.495 5.307 40 0 IKABHM O=c1[n-]c(-c2ccc(Sc3nc4ccccc4s3)o2)nc2sc3c(c21)CCCC3 ZINC000408989120 556911882 /nfs/dbraw/zinc/91/18/82/556911882.db2.gz HAUQJXHXMAZAOG-UHFFFAOYSA-N -1 3 437.571 6.297 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2Cl)cc1 ZINC000019933881 556950109 /nfs/dbraw/zinc/95/01/09/556950109.db2.gz OEZCPNGVXQLQDV-UHFFFAOYSA-N -1 3 442.968 5.825 40 0 IKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409100713 556955200 /nfs/dbraw/zinc/95/52/00/556955200.db2.gz WECOZJZMIRGIBJ-REHUZNOOSA-N -1 3 444.497 5.879 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2Cl)cc1 ZINC000020048685 556974118 /nfs/dbraw/zinc/97/41/18/556974118.db2.gz WEUHLOMETCPAGC-MRXNPFEDSA-N -1 3 440.952 5.041 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000020107398 556983581 /nfs/dbraw/zinc/98/35/81/556983581.db2.gz KISYOSKLFPWYCL-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1OC ZINC000409173283 556984251 /nfs/dbraw/zinc/98/42/51/556984251.db2.gz ONNSZGSXXPGYIO-UHFFFAOYSA-N -1 3 427.566 5.044 40 0 IKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409182888 556990209 /nfs/dbraw/zinc/99/02/09/556990209.db2.gz POZOWXYKRSSXDJ-GOSISDBHSA-N -1 3 436.927 5.383 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408549973 557035184 /nfs/dbraw/zinc/03/51/84/557035184.db2.gz ADOPYDHQOBVRMM-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1c(Cl)cccc1Cl ZINC000409258593 557036387 /nfs/dbraw/zinc/03/63/87/557036387.db2.gz UVEZHKIYWPWILS-UHFFFAOYSA-N -1 3 441.314 6.287 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1 ZINC000408553320 557036565 /nfs/dbraw/zinc/03/65/65/557036565.db2.gz VAMKXAGIEMKYJT-UHFFFAOYSA-N -1 3 441.380 5.165 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556649 557037520 /nfs/dbraw/zinc/03/75/20/557037520.db2.gz IWWZCGKQCOJAHV-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408611348 557065855 /nfs/dbraw/zinc/06/58/55/557065855.db2.gz VYHNPGJSZAEMOK-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408604343 557069086 /nfs/dbraw/zinc/06/90/86/557069086.db2.gz IFIJFYMOSAORDP-UHFFFAOYSA-N -1 3 442.968 5.572 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408623609 557071271 /nfs/dbraw/zinc/07/12/71/557071271.db2.gz PDRTZARQXOQCEE-UHFFFAOYSA-N -1 3 448.466 5.375 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409251827 557080990 /nfs/dbraw/zinc/08/09/90/557080990.db2.gz QJDACEXYNUTZGN-YVLHZVERSA-N -1 3 433.678 6.004 40 0 IKABHM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000409411473 557104399 /nfs/dbraw/zinc/10/43/99/557104399.db2.gz XHGSAYMSQMKBKB-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)c(Cl)c1)N2 ZINC000409342366 557121191 /nfs/dbraw/zinc/12/11/91/557121191.db2.gz BQABZZAENBIRHY-QEEYODRMSA-N -1 3 430.898 5.564 40 0 IKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000020765647 557127698 /nfs/dbraw/zinc/12/76/98/557127698.db2.gz BBAPMAVUUHTTQM-UHFFFAOYSA-N -1 3 434.561 5.204 40 0 IKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 ZINC000020765849 557128096 /nfs/dbraw/zinc/12/80/96/557128096.db2.gz BHBZTDSUGLTLGZ-UHFFFAOYSA-N -1 3 434.561 5.006 40 0 IKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)ccc32)cc1 ZINC000020766003 557128129 /nfs/dbraw/zinc/12/81/29/557128129.db2.gz KKUWUWDACKSPDY-UHFFFAOYSA-N -1 3 434.561 5.006 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352533 557132742 /nfs/dbraw/zinc/13/27/42/557132742.db2.gz DEKHUCXCUOCCPU-PMAPCBKXSA-N -1 3 438.534 5.899 40 0 IKABHM Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c(C)c1 ZINC000409380465 557140693 /nfs/dbraw/zinc/14/06/93/557140693.db2.gz DXQZZNLBKGBYSO-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3ccccc3F)c2)cc1 ZINC000216336276 557143424 /nfs/dbraw/zinc/14/34/24/557143424.db2.gz JIZHUPXIMITMJW-UHFFFAOYSA-N -1 3 425.525 5.296 40 0 IKABHM COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106741828 557160581 /nfs/dbraw/zinc/16/05/81/557160581.db2.gz VPLYILYQFLCLIS-CHHVJCJISA-N -1 3 428.268 5.083 40 0 IKABHM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1Nc1ccccc1 ZINC000408801696 557212968 /nfs/dbraw/zinc/21/29/68/557212968.db2.gz WYDCEKGRICSTCZ-APUJPAGKSA-N -1 3 427.977 6.100 40 0 IKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000010314764 557216160 /nfs/dbraw/zinc/21/61/60/557216160.db2.gz AXDPLRCZBCUSFT-UHFFFAOYSA-N -1 3 436.577 5.238 40 0 IKABHM O=S(=O)([N-]Cc1ccc(OCc2ccc(F)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000010543782 557223038 /nfs/dbraw/zinc/22/30/38/557223038.db2.gz MWUGMWCZDIYFRC-UHFFFAOYSA-N -1 3 440.323 5.190 40 0 IKABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000101128605 557346657 /nfs/dbraw/zinc/34/66/57/557346657.db2.gz LNTRJTHXPKASLK-SDHSZQHLSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101133842 557369418 /nfs/dbraw/zinc/36/94/18/557369418.db2.gz QMPCFFAWGGZZJL-SDHOMARFSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000013997856 557402511 /nfs/dbraw/zinc/40/25/11/557402511.db2.gz HZTCLKQSAZLKOT-XNTDXEJSSA-N -1 3 440.952 5.410 40 0 IKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014270312 557429707 /nfs/dbraw/zinc/42/97/07/557429707.db2.gz PHJRJNUEDIFBHT-UHFFFAOYSA-N -1 3 445.544 5.452 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223377287 557464829 /nfs/dbraw/zinc/46/48/29/557464829.db2.gz VZBUMEZWZMTFCU-UHFFFAOYSA-N -1 3 448.588 5.341 40 0 IKABHM Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269592 557471461 /nfs/dbraw/zinc/47/14/61/557471461.db2.gz FANICKDWBQTEPL-UHFFFAOYSA-N -1 3 425.897 5.288 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3[O-])oc2c1 ZINC000017097565 557479591 /nfs/dbraw/zinc/47/95/91/557479591.db2.gz DPBABWUCFYMJGG-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1[O-] ZINC000017098330 557480784 /nfs/dbraw/zinc/48/07/84/557480784.db2.gz GSXMIBPPBGKNTH-SOFGYWHQSA-N -1 3 433.316 5.485 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3[O-])oc2c(C)c1 ZINC000017099506 557483348 /nfs/dbraw/zinc/48/33/48/557483348.db2.gz WAXHORSXCKHGMF-UHFFFAOYSA-N -1 3 435.480 5.083 40 0 IKABHM COc1c(F)c(F)c(C(=O)[N-]c2nc3c(ccc(Cl)c3Cl)s2)c(F)c1F ZINC000017094263 557484153 /nfs/dbraw/zinc/48/41/53/557484153.db2.gz PFYYAQQUBLAGFQ-UHFFFAOYSA-N -1 3 425.190 5.420 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3[O-])oc2c1 ZINC000017101759 557490558 /nfs/dbraw/zinc/49/05/58/557490558.db2.gz ZRVLWHQYXOKPJP-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)c(Cl)c1Cl ZINC000223717609 557505782 /nfs/dbraw/zinc/50/57/82/557505782.db2.gz UXEMOMLWYWICEA-UHFFFAOYSA-N -1 3 438.332 5.273 40 0 IKABHM Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000223964468 557535711 /nfs/dbraw/zinc/53/57/11/557535711.db2.gz GKAAGEYXMPYJDZ-HSZRJFAPSA-N -1 3 440.540 5.062 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 ZINC000224059565 557553036 /nfs/dbraw/zinc/55/30/36/557553036.db2.gz YOMYLFUQIVBJGC-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 ZINC000224059637 557553060 /nfs/dbraw/zinc/55/30/60/557553060.db2.gz HGIGJTIJFOHJSM-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(C)C ZINC000224210223 557575502 /nfs/dbraw/zinc/57/55/02/557575502.db2.gz SYPOESHJDGHVBM-UHFFFAOYSA-N -1 3 425.550 5.507 40 0 IKABHM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224526494 557616623 /nfs/dbraw/zinc/61/66/23/557616623.db2.gz YQMBEDKURQBYRP-UHFFFAOYSA-N -1 3 442.968 5.691 40 0 IKABHM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224536196 557617942 /nfs/dbraw/zinc/61/79/42/557617942.db2.gz HPEFHCNGUFNVNB-HNNXBMFYSA-N -1 3 446.981 5.260 40 0 IKABHM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2)c1 ZINC000224538428 557618251 /nfs/dbraw/zinc/61/82/51/557618251.db2.gz GBEZIWXKKJXLMB-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224540263 557618635 /nfs/dbraw/zinc/61/86/35/557618635.db2.gz JQBCWUOYWCJJGR-UHFFFAOYSA-N -1 3 444.553 5.056 40 0 IKABHM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000224540823 557618777 /nfs/dbraw/zinc/61/87/77/557618777.db2.gz XYECEOKYOPMKFJ-UHFFFAOYSA-N -1 3 449.359 5.366 40 0 IKABHM O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224566219 557624452 /nfs/dbraw/zinc/62/44/52/557624452.db2.gz CUPRXVULZOTPEC-UHFFFAOYSA-N -1 3 449.359 5.366 40 0 IKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCCC1 ZINC000224600109 557629525 /nfs/dbraw/zinc/62/95/25/557629525.db2.gz HNFFKWAMFXJDJS-JWQCQUIFSA-N -1 3 446.620 5.888 40 0 IKABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611253 557630578 /nfs/dbraw/zinc/63/05/78/557630578.db2.gz KVORUJFALZDSPE-DNQXCXABSA-N -1 3 426.545 5.063 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224616301 557631371 /nfs/dbraw/zinc/63/13/71/557631371.db2.gz HKHJPKROTUZHMF-XZOQPEGZSA-N -1 3 431.492 5.363 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224616253 557631417 /nfs/dbraw/zinc/63/14/17/557631417.db2.gz HKHJPKROTUZHMF-PKTZIBPZSA-N -1 3 431.492 5.363 40 0 IKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000224866701 557660277 /nfs/dbraw/zinc/66/02/77/557660277.db2.gz CQIZSFUDQJWYJP-FGZHOGPDSA-N -1 3 441.000 5.617 40 0 IKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000224866740 557660284 /nfs/dbraw/zinc/66/02/84/557660284.db2.gz CQIZSFUDQJWYJP-YADHBBJMSA-N -1 3 441.000 5.617 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224876246 557661180 /nfs/dbraw/zinc/66/11/80/557661180.db2.gz RNKRSQOWWFYLSR-XZOQPEGZSA-N -1 3 446.963 5.408 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224880607 557661960 /nfs/dbraw/zinc/66/19/60/557661960.db2.gz TXKOLGYLWPEOND-GOTSBHOMSA-N -1 3 447.947 5.878 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224885191 557662320 /nfs/dbraw/zinc/66/23/20/557662320.db2.gz BNKUPIATYIOAQD-GOTSBHOMSA-N -1 3 446.963 5.408 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccc(F)c1 ZINC000224956076 557671222 /nfs/dbraw/zinc/67/12/22/557671222.db2.gz UAYJZHNCIXWXLJ-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c(Cl)c1 ZINC000224998356 557675555 /nfs/dbraw/zinc/67/55/55/557675555.db2.gz UJMCDIFCMUAMNJ-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)c(C)c1 ZINC000224997932 557675570 /nfs/dbraw/zinc/67/55/70/557675570.db2.gz WWWNAVRCSINHFS-UHFFFAOYSA-N -1 3 428.941 5.318 40 0 IKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000101253867 557758964 /nfs/dbraw/zinc/75/89/64/557758964.db2.gz SEPGHCCRPAHPBO-VABKMULXSA-N -1 3 432.907 5.008 40 0 IKABHM COc1ccc(-c2nnsc2C(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000225763606 557774168 /nfs/dbraw/zinc/77/41/68/557774168.db2.gz IZUUCJJZDAWICG-UHFFFAOYSA-N -1 3 437.908 5.912 40 0 IKABHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279219 568788242 /nfs/dbraw/zinc/78/82/42/568788242.db2.gz JWOXGBPNHNPCOG-HSZRJFAPSA-N -1 3 444.332 5.897 40 0 IKABHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001279219 568788244 /nfs/dbraw/zinc/78/82/44/568788244.db2.gz JWOXGBPNHNPCOG-HSZRJFAPSA-N -1 3 444.332 5.897 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1[O-] ZINC000226243623 569177828 /nfs/dbraw/zinc/17/78/28/569177828.db2.gz CTOROUBEGXQZTB-UHFFFAOYSA-N -1 3 441.350 5.257 40 0 IKABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000021112344 569241504 /nfs/dbraw/zinc/24/15/04/569241504.db2.gz HTLRYJGSFSJSSH-UHFFFAOYSA-N -1 3 443.743 5.075 40 0 IKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206876 569242647 /nfs/dbraw/zinc/24/26/47/569242647.db2.gz KEVSQXBPWRWKAZ-GOSISDBHSA-N -1 3 434.561 5.202 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000034764952 569247664 /nfs/dbraw/zinc/24/76/64/569247664.db2.gz KNSYOXNXTNOQDP-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2cccc(Cl)c2)C1 ZINC000257254276 569277194 /nfs/dbraw/zinc/27/71/94/569277194.db2.gz KCLAZOHFQVEPIC-XUVXKRRUSA-N -1 3 438.749 5.296 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000018204322 569288088 /nfs/dbraw/zinc/28/80/88/569288088.db2.gz JTNIFZSWZPIHRK-ZLNRFVROSA-N -1 3 432.907 5.008 40 0 IKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000009461059 569296489 /nfs/dbraw/zinc/29/64/89/569296489.db2.gz MCAJYCWBANOJCU-QTJGBDASSA-N -1 3 446.934 5.316 40 0 IKABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C ZINC000033607946 569584294 /nfs/dbraw/zinc/58/42/94/569584294.db2.gz SFFCGOLAWWBPOQ-UHFFFAOYSA-N -1 3 447.585 5.472 40 0 IKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408608844 193976563 /nfs/dbraw/zinc/97/65/63/193976563.db2.gz PYVACWSICBTFEH-UHFFFAOYSA-N -1 3 442.968 5.825 40 0 IKABHM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020495414 523842764 /nfs/dbraw/zinc/84/27/64/523842764.db2.gz UYMXNFXGQHMFHI-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2Cl)cc1 ZINC000020456191 525599766 /nfs/dbraw/zinc/59/97/66/525599766.db2.gz HZUJXUSKKHLYKA-HNNXBMFYSA-N -1 3 446.931 5.079 40 0 IKABHM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000022510958 527249886 /nfs/dbraw/zinc/24/98/86/527249886.db2.gz QAACRAYNSYYYIH-UHFFFAOYSA-N -1 3 431.513 5.859 40 0 IKABHM CC(C)Cc1cc(C(F)(F)F)nc([N-]N=c2nc(C(F)(F)F)cc(CC(C)C)[nH]2)n1 ZINC000001570696 555703668 /nfs/dbraw/zinc/70/36/68/555703668.db2.gz FWYKSQYUZUMWLC-UHFFFAOYSA-N -1 3 436.404 5.140 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3[O-])nc2c1 ZINC000001858557 555721176 /nfs/dbraw/zinc/72/11/76/555721176.db2.gz TUACKHCBDRPNBU-UHFFFAOYSA-N -1 3 445.544 5.506 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c(C)c1 ZINC000001859549 555721263 /nfs/dbraw/zinc/72/12/63/555721263.db2.gz JSBJSGJFKSWRKW-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000001864876 555721619 /nfs/dbraw/zinc/72/16/19/555721619.db2.gz RYDHHWAINSAPMJ-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1)N1CCCC1 ZINC000408563074 555906771 /nfs/dbraw/zinc/90/67/71/555906771.db2.gz TYRMMZTXVOEQET-UHFFFAOYSA-N -1 3 448.759 5.075 40 0 IKABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000408563576 555916851 /nfs/dbraw/zinc/91/68/51/555916851.db2.gz OIVQUUNMACWVLR-SIKLNZKXSA-N -1 3 438.490 5.143 40 0 IKABHM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014030980 556357462 /nfs/dbraw/zinc/35/74/62/556357462.db2.gz GDDFBKXPWGMZTE-UHFFFAOYSA-N -1 3 438.549 5.145 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1C ZINC000408920821 556505675 /nfs/dbraw/zinc/50/56/75/556505675.db2.gz OFDYCSQRRQPCJH-SFHVURJKSA-N -1 3 440.590 5.224 40 0 IKABHM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030848966 556508032 /nfs/dbraw/zinc/50/80/32/556508032.db2.gz IOJFKVHZIFTNCK-UHFFFAOYSA-N -1 3 444.940 5.180 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)cc2Cl)cc1 ZINC000030850293 556508648 /nfs/dbraw/zinc/50/86/48/556508648.db2.gz GLYKVOCBNCTMAD-UHFFFAOYSA-N -1 3 442.968 5.825 40 0 IKABHM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)ccc21 ZINC000030855505 556510188 /nfs/dbraw/zinc/51/01/88/556510188.db2.gz IXMQWHDIOXMYSU-UHFFFAOYSA-N -1 3 441.940 5.092 40 0 IKABHM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015435106 556527497 /nfs/dbraw/zinc/52/74/97/556527497.db2.gz CKCGZWRRBIGSKV-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3cccc(Br)c3)o2)nc2sc3c(c21)CCCC3 ZINC000032109535 556529974 /nfs/dbraw/zinc/52/99/74/556529974.db2.gz AWRVGAQVZHJEKC-UHFFFAOYSA-N -1 3 427.323 5.553 40 0 IKABHM Cc1ccc(-c2nc3cc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1C ZINC000032116675 556532782 /nfs/dbraw/zinc/53/27/82/556532782.db2.gz AKTJELIKNWVXOM-UHFFFAOYSA-N -1 3 442.755 5.295 40 0 IKABHM Cc1ccc(-c2nc3cc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)ccc3o2)cc1C ZINC000032116675 556532785 /nfs/dbraw/zinc/53/27/85/556532785.db2.gz AKTJELIKNWVXOM-UHFFFAOYSA-N -1 3 442.755 5.295 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3[O-])oc2c1 ZINC000032125369 556534882 /nfs/dbraw/zinc/53/48/82/556534882.db2.gz NTFQIHRHFKKPMH-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM Cc1cc2sc(NC(=S)[N-]C(=O)COc3ccc(C(C)C)cc3)nc2cc1Cl ZINC000016284245 556596975 /nfs/dbraw/zinc/59/69/75/556596975.db2.gz NFMILCROGKFTOF-UHFFFAOYSA-N -1 3 433.986 5.274 40 0 IKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 ZINC000038772598 556619432 /nfs/dbraw/zinc/61/94/32/556619432.db2.gz FZSRNMGZBWYGEC-NRFANRHFSA-N -1 3 442.968 5.330 40 0 IKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000101001550 556634598 /nfs/dbraw/zinc/63/45/98/556634598.db2.gz MCAJYCWBANOJCU-NHTMILBNSA-N -1 3 446.934 5.316 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3s2)c1[O-] ZINC000017101449 556666091 /nfs/dbraw/zinc/66/60/91/556666091.db2.gz JNVHGCNBUUDLDX-UHFFFAOYSA-N -1 3 437.521 5.243 40 0 IKABHM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000044842411 556668685 /nfs/dbraw/zinc/66/86/85/556668685.db2.gz OLHSLORWHSTWER-QGZVFWFLSA-N -1 3 442.968 5.249 40 0 IKABHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000044846944 556669715 /nfs/dbraw/zinc/66/97/15/556669715.db2.gz HAMWTDVQNWQOMR-UHFFFAOYSA-N -1 3 428.724 6.240 40 0 IKABHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044901673 556677926 /nfs/dbraw/zinc/67/79/26/556677926.db2.gz DOMZQMZJOKYKCK-UHFFFAOYSA-N -1 3 449.359 5.066 40 0 IKABHM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000000867620 556724986 /nfs/dbraw/zinc/72/49/86/556724986.db2.gz BFCOOKCPOXZYOB-UHFFFAOYSA-N -1 3 425.897 5.288 40 0 IKABHM O=C(CSc1nnc(-c2ccccc2[O-])o1)N1c2ccccc2Sc2ccccc21 ZINC000000873617 556728308 /nfs/dbraw/zinc/72/83/08/556728308.db2.gz SKYYYFJDZNOAAI-UHFFFAOYSA-N -1 3 433.514 5.364 40 0 IKABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C(C)(C)C)cc1 ZINC000013770281 556730095 /nfs/dbraw/zinc/73/00/95/556730095.db2.gz LNTRJTHXPKASLK-DSITVLBTSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000013777254 556731090 /nfs/dbraw/zinc/73/10/90/556731090.db2.gz LDNOEDBPXLUFCK-DSITVLBTSA-N -1 3 440.543 5.344 40 0 IKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C([O-])=C2ON1c1ccccc1 ZINC000013779182 556731655 /nfs/dbraw/zinc/73/16/55/556731655.db2.gz UMZFKDLJITZBCJ-ZNZIZOMTSA-N -1 3 434.495 5.199 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000019643750 556838512 /nfs/dbraw/zinc/83/85/12/556838512.db2.gz HAPPXEYBSMYNKQ-UHFFFAOYSA-N -1 3 445.544 5.759 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)c(C)c1 ZINC000408920781 556890813 /nfs/dbraw/zinc/89/08/13/556890813.db2.gz MUXXSRVRZGXKCA-UHFFFAOYSA-N -1 3 440.590 5.225 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)cc1C ZINC000408920820 556891050 /nfs/dbraw/zinc/89/10/50/556891050.db2.gz OFDYCSQRRQPCJH-GOSISDBHSA-N -1 3 440.590 5.224 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c21)CCCCCC3 ZINC000408989374 556910747 /nfs/dbraw/zinc/91/07/47/556910747.db2.gz KMFAAFWXRFPNEB-UHFFFAOYSA-N -1 3 445.371 7.290 40 0 IKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000019937643 556951437 /nfs/dbraw/zinc/95/14/37/556951437.db2.gz PRGNWUXHALGIPO-UHFFFAOYSA-N -1 3 431.879 5.064 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2Cl)cc1 ZINC000020048688 556974091 /nfs/dbraw/zinc/97/40/91/556974091.db2.gz WEUHLOMETCPAGC-INIZCTEOSA-N -1 3 440.952 5.041 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409166321 556980065 /nfs/dbraw/zinc/98/00/65/556980065.db2.gz DMZRGECBMBUQPD-BOPFTXTBSA-N -1 3 443.684 5.460 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409173089 556984341 /nfs/dbraw/zinc/98/43/41/556984341.db2.gz JFOGGTGMQDACMZ-LICLKQGHSA-N -1 3 433.678 6.004 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 ZINC000020110653 556985337 /nfs/dbraw/zinc/98/53/37/556985337.db2.gz VOKBMHGWGMXTRB-UHFFFAOYSA-N -1 3 446.981 5.256 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550893 557036361 /nfs/dbraw/zinc/03/63/61/557036361.db2.gz ICNIAIHLOZKISC-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)N1CCCCCC1 ZINC000408583247 557045212 /nfs/dbraw/zinc/04/52/12/557045212.db2.gz GPPHRRGNCAKAAM-UHFFFAOYSA-N -1 3 442.368 5.202 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409249762 557080670 /nfs/dbraw/zinc/08/06/70/557080670.db2.gz VMYSTKDIVDDHLP-YVLHZVERSA-N -1 3 433.678 6.004 40 0 IKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000102763386 557132724 /nfs/dbraw/zinc/13/27/24/557132724.db2.gz IRKTWDNRKMSRGK-UODIDJSMSA-N -1 3 434.495 5.199 40 0 IKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102709196 557133077 /nfs/dbraw/zinc/13/30/77/557133077.db2.gz SBXXZWYDZDXGMP-KKUQBAQOSA-N -1 3 434.495 5.199 40 0 IKABHM CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)cc1 ZINC000409381761 557140881 /nfs/dbraw/zinc/14/08/81/557140881.db2.gz WBJCVGHWYKTFCJ-UHFFFAOYSA-N -1 3 444.560 5.494 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000216368513 557144632 /nfs/dbraw/zinc/14/46/32/557144632.db2.gz QWDPXAFRXGJBGJ-UHFFFAOYSA-N -1 3 437.561 5.333 40 0 IKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(Cl)c1[O-] ZINC000106720223 557159208 /nfs/dbraw/zinc/15/92/08/557159208.db2.gz YKMORPIKNGQMGS-NDENLUEZSA-N -1 3 439.920 5.834 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccccc4)ccc3[O-])oc2c(C)c1 ZINC000009064909 557181543 /nfs/dbraw/zinc/18/15/43/557181543.db2.gz IWHRHACYWSYXNX-DHZHZOJOSA-N -1 3 443.528 5.344 40 0 IKABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112688 557205480 /nfs/dbraw/zinc/20/54/80/557205480.db2.gz BWNXOJVWEBFPPU-UHFFFAOYSA-N -1 3 438.401 6.228 40 0 IKABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000010339154 557217918 /nfs/dbraw/zinc/21/79/18/557217918.db2.gz UWVPQLILKPCVGL-UHFFFAOYSA-N -1 3 428.941 5.021 40 0 IKABHM O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408839571 557260072 /nfs/dbraw/zinc/26/00/72/557260072.db2.gz ULYQAJGZQREBCB-XYOKQWHBSA-N -1 3 434.698 5.367 40 0 IKABHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cccc3ccccc32)S1 ZINC000113833339 557307256 /nfs/dbraw/zinc/30/72/56/557307256.db2.gz IQXRGJIWSCELFI-YBFXNURJSA-N -1 3 440.318 5.505 40 0 IKABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)c1 ZINC000101147568 557389691 /nfs/dbraw/zinc/38/96/91/557389691.db2.gz LDNOEDBPXLUFCK-GVAUOCQISA-N -1 3 440.543 5.344 40 0 IKABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C([O-])=C2ON1c1ccccc1 ZINC000101161587 557408996 /nfs/dbraw/zinc/40/89/96/557408996.db2.gz UMZFKDLJITZBCJ-GSDHBNRESA-N -1 3 434.495 5.199 40 0 IKABHM CCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000014270243 557429680 /nfs/dbraw/zinc/42/96/80/557429680.db2.gz REAPJAWCTJRSPN-UHFFFAOYSA-N -1 3 447.516 5.034 40 0 IKABHM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)ccc32)cc1 ZINC000223374830 557464330 /nfs/dbraw/zinc/46/43/30/557464330.db2.gz CZQAVGJBKRCYAE-UHFFFAOYSA-N -1 3 434.561 5.122 40 0 IKABHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1[O-] ZINC000017098329 557480754 /nfs/dbraw/zinc/48/07/54/557480754.db2.gz JLNRHUAHHBTGMM-JXMROGBWSA-N -1 3 433.316 5.485 40 0 IKABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000017098555 557481448 /nfs/dbraw/zinc/48/14/48/557481448.db2.gz ZWNRCVBESAYULW-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000017098543 557481480 /nfs/dbraw/zinc/48/14/80/557481480.db2.gz CDXWJLVFAAFLPL-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3[O-])oc2c1 ZINC000017101743 557490583 /nfs/dbraw/zinc/49/05/83/557490583.db2.gz LUDQCBMXOKMCOG-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000223961225 557535122 /nfs/dbraw/zinc/53/51/22/557535122.db2.gz UOFHMSGDBOPEOL-UHFFFAOYSA-N -1 3 426.513 5.221 40 0 IKABHM CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000223962531 557535135 /nfs/dbraw/zinc/53/51/35/557535135.db2.gz KWVSQMMDQUXWDD-QHCPKHFHSA-N -1 3 440.540 5.144 40 0 IKABHM Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(C)C ZINC000223964407 557535607 /nfs/dbraw/zinc/53/56/07/557535607.db2.gz GKAAGEYXMPYJDZ-QHCPKHFHSA-N -1 3 440.540 5.062 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1 ZINC000224528004 557616914 /nfs/dbraw/zinc/61/69/14/557616914.db2.gz FBBFXVFXHBSIRS-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000224529932 557617165 /nfs/dbraw/zinc/61/71/65/557617165.db2.gz MQXHYAXXWBCNDS-UHFFFAOYSA-N -1 3 436.320 5.438 40 0 IKABHM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224535332 557617855 /nfs/dbraw/zinc/61/78/55/557617855.db2.gz HWAFONQOUMKPSL-UHFFFAOYSA-N -1 3 446.981 5.013 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)C1CCCCC1 ZINC000224556408 557622728 /nfs/dbraw/zinc/62/27/28/557622728.db2.gz MPGIJRPRMSNJSF-UHFFFAOYSA-N -1 3 427.353 5.313 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1 ZINC000224566325 557624424 /nfs/dbraw/zinc/62/44/24/557624424.db2.gz ONSWULISQNOXTE-UHFFFAOYSA-N -1 3 428.941 5.021 40 0 IKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCC1 ZINC000224600046 557629583 /nfs/dbraw/zinc/62/95/83/557629583.db2.gz MYOIHIDYPPYGPF-ZEQRLZLVSA-N -1 3 432.593 5.498 40 0 IKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCC1 ZINC000224599893 557629590 /nfs/dbraw/zinc/62/95/90/557629590.db2.gz MYOIHIDYPPYGPF-DNQXCXABSA-N -1 3 432.593 5.498 40 0 IKABHM Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224611136 557630614 /nfs/dbraw/zinc/63/06/14/557630614.db2.gz BBDBZTLCAKSBCB-BJKOFHAPSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1C ZINC000224614538 557631202 /nfs/dbraw/zinc/63/12/02/557631202.db2.gz AZJNBVNXBIWLCP-JWQCQUIFSA-N -1 3 440.572 5.372 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000224615657 557631481 /nfs/dbraw/zinc/63/14/81/557631481.db2.gz JOPLIUQKVKFZBX-XZOQPEGZSA-N -1 3 445.569 5.709 40 0 IKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028206873 557647064 /nfs/dbraw/zinc/64/70/64/557647064.db2.gz KEVSQXBPWRWKAZ-SFHVURJKSA-N -1 3 434.561 5.202 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224865739 557660006 /nfs/dbraw/zinc/66/00/06/557660006.db2.gz NGDQMKWNSCEEKW-FGZHOGPDSA-N -1 3 438.984 5.534 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000224865698 557660075 /nfs/dbraw/zinc/66/00/75/557660075.db2.gz NGDQMKWNSCEEKW-FCHUYYIVSA-N -1 3 438.984 5.534 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000224865652 557660082 /nfs/dbraw/zinc/66/00/82/557660082.db2.gz NGDQMKWNSCEEKW-YADHBBJMSA-N -1 3 438.984 5.534 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000224876284 557661175 /nfs/dbraw/zinc/66/11/75/557661175.db2.gz RNKRSQOWWFYLSR-DHIUTWEWSA-N -1 3 446.963 5.408 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224880715 557661947 /nfs/dbraw/zinc/66/19/47/557661947.db2.gz TXKOLGYLWPEOND-DHIUTWEWSA-N -1 3 447.947 5.878 40 0 IKABHM Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000033678705 557808966 /nfs/dbraw/zinc/80/89/66/557808966.db2.gz YEZSNQKEGVPQEH-CYBMUJFWSA-N -1 3 438.515 5.961 40 0 IKABHM CCCCc1nc(Cl)c(Cl)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000044136163 568748475 /nfs/dbraw/zinc/74/84/75/568748475.db2.gz KUSIPNNIJUARFJ-UHFFFAOYSA-N -1 3 427.339 5.428 40 0 in-vitro IKABHM CCCCc1nc(Cl)c(Cl)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000044136163 568748477 /nfs/dbraw/zinc/74/84/77/568748477.db2.gz KUSIPNNIJUARFJ-UHFFFAOYSA-N -1 3 427.339 5.428 40 0 in-vitro IKABHM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000010358165 569223624 /nfs/dbraw/zinc/22/36/24/569223624.db2.gz DGDMOHFRZQJACS-UHFFFAOYSA-N -1 3 440.540 5.321 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)NC1CCCCC1 ZINC000033562458 569244496 /nfs/dbraw/zinc/24/44/96/569244496.db2.gz YAOARPKUCWSYKM-UHFFFAOYSA-N -1 3 441.380 5.165 40 0 IKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000017823148 569265488 /nfs/dbraw/zinc/26/54/88/569265488.db2.gz SEPGHCCRPAHPBO-VJBWXMMDSA-N -1 3 432.907 5.008 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257345093 569279974 /nfs/dbraw/zinc/27/99/74/569279974.db2.gz ZZXPGTDJAKUMGZ-SPAWWWTRSA-N -1 3 441.955 5.178 40 0 IKABHM Cc1ccn2c(c1)nc(-c1ccc(-c3ccccc3)cc1)c2CN1CCC(C(=O)[O-])CC1 ZINC000002528846 569407821 /nfs/dbraw/zinc/40/78/21/569407821.db2.gz JJHUIBTYKZPXFE-UHFFFAOYSA-N -1 3 425.532 5.273 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C)cc3C)sc2c1 ZINC000032119245 569583648 /nfs/dbraw/zinc/58/36/48/569583648.db2.gz PRMCENXTVRBNMV-UHFFFAOYSA-N -1 3 427.595 5.148 40 0 IKABHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)N1c2ccccc2Sc2ccccc21 ZINC000013424357 132346877 /nfs/dbraw/zinc/34/68/77/132346877.db2.gz QEVIFTHDNBIGDY-UHFFFAOYSA-N -1 3 433.514 5.364 40 0 IKABHM Cc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000017098532 524187826 /nfs/dbraw/zinc/18/78/26/524187826.db2.gz FHNLWWVVVXRHFF-UHFFFAOYSA-N -1 3 433.558 5.413 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020456525 525085496 /nfs/dbraw/zinc/08/54/96/525085496.db2.gz XEZJFZRRNUYLDR-UHFFFAOYSA-N -1 3 438.549 5.046 40 0 IKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4ccccc43)cc2Cl)cc1 ZINC000020485362 525596438 /nfs/dbraw/zinc/59/64/38/525596438.db2.gz LDLXPCMSJRRMDC-UHFFFAOYSA-N -1 3 440.952 5.042 40 0 IKABHM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020489883 526176956 /nfs/dbraw/zinc/17/69/56/526176956.db2.gz KVQMDIPUWNFRPK-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1C ZINC000034783096 555895156 /nfs/dbraw/zinc/89/51/56/555895156.db2.gz DJOYRLBCLJOQFF-VJGNERBWSA-N -1 3 448.522 5.508 40 0 IKABHM O=C(COc1ccc(C2CCCCC2)cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000408563577 555916811 /nfs/dbraw/zinc/91/68/11/555916811.db2.gz OIVQUUNMACWVLR-UGKGYDQZSA-N -1 3 438.490 5.143 40 0 IKABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408592848 555954294 /nfs/dbraw/zinc/95/42/94/555954294.db2.gz OWNGNPDCGOTKJV-UHFFFAOYSA-N -1 3 439.537 5.153 40 0 IKABHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCCC2 ZINC000008592922 556189629 /nfs/dbraw/zinc/18/96/29/556189629.db2.gz JIWWXRWEKYYNPH-UHFFFAOYSA-N -1 3 430.913 5.364 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000013713369 556285300 /nfs/dbraw/zinc/28/53/00/556285300.db2.gz LIEWMCGEEMYSGL-VABKMULXSA-N -1 3 432.907 5.008 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 ZINC000408920216 556506110 /nfs/dbraw/zinc/50/61/10/556506110.db2.gz BKZBTTBVJPEZRA-SFHVURJKSA-N -1 3 440.590 5.224 40 0 IKABHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015411702 556524789 /nfs/dbraw/zinc/52/47/89/556524789.db2.gz AHEXTOAODRVPAU-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000408957971 556561390 /nfs/dbraw/zinc/56/13/90/556561390.db2.gz WSCSURPVTWDNRR-KRWDZBQOSA-N -1 3 441.277 5.182 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016195496 556589889 /nfs/dbraw/zinc/58/98/89/556589889.db2.gz DRADFOVDNNJCHM-UHFFFAOYSA-N -1 3 446.330 5.569 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016195825 556590386 /nfs/dbraw/zinc/59/03/86/556590386.db2.gz FDBCKHGUBKHLLG-UHFFFAOYSA-N -1 3 446.330 5.569 40 0 IKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000100846773 556597286 /nfs/dbraw/zinc/59/72/86/556597286.db2.gz JTNIFZSWZPIHRK-ZRBLBEILSA-N -1 3 432.907 5.008 40 0 IKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000016362324 556603090 /nfs/dbraw/zinc/60/30/90/556603090.db2.gz XMYBIDMAWSPLPV-UHFFFAOYSA-N -1 3 440.590 5.225 40 0 IKABHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl ZINC000038752077 556615867 /nfs/dbraw/zinc/61/58/67/556615867.db2.gz WSDBXKYRYBZDOB-OAQYLSRUSA-N -1 3 436.360 5.378 40 0 IKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000016688636 556626716 /nfs/dbraw/zinc/62/67/16/556626716.db2.gz VBPDRPZXDJFDEI-UHFFFAOYSA-N -1 3 425.912 5.306 40 0 IKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000101012085 556643330 /nfs/dbraw/zinc/64/33/30/556643330.db2.gz LIEWMCGEEMYSGL-VJBWXMMDSA-N -1 3 432.907 5.008 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101071414 556653476 /nfs/dbraw/zinc/65/34/76/556653476.db2.gz GWFDKPXTLMKEHJ-DYXWJJEUSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013513647 556667327 /nfs/dbraw/zinc/66/73/27/556667327.db2.gz DNRSHPPENRRNNQ-PMVMPFDFSA-N -1 3 432.907 5.008 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000044844382 556669070 /nfs/dbraw/zinc/66/90/70/556669070.db2.gz WALGNJDNJSXHDW-UHFFFAOYSA-N -1 3 446.981 5.256 40 0 IKABHM Cc1c(Cl)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044949792 556684303 /nfs/dbraw/zinc/68/43/03/556684303.db2.gz WUHIBACDWILWSS-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM Cc1cc2cccc([N-]C(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2o1 ZINC000019126697 556703483 /nfs/dbraw/zinc/70/34/83/556703483.db2.gz PUGQUUPLLDZIBU-IBGZPJMESA-N -1 3 435.524 5.268 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2[O-])cc1 ZINC000001223785 556768749 /nfs/dbraw/zinc/76/87/49/556768749.db2.gz CVJCHYFHHYHZCH-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223752 556768830 /nfs/dbraw/zinc/76/88/30/556768830.db2.gz FEGKRWRVDGCGRC-GOSISDBHSA-N -1 3 444.560 5.127 40 0 IKABHM Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2[O-])cc1 ZINC000001223789 556769004 /nfs/dbraw/zinc/76/90/04/556769004.db2.gz BGAJZOFHEQZHEF-UHFFFAOYSA-N -1 3 441.516 5.291 40 0 IKABHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1cccc(Cl)c1 ZINC000409071067 556774521 /nfs/dbraw/zinc/77/45/21/556774521.db2.gz NBWPLWOISJBGFU-GZTJUZNOSA-N -1 3 447.368 6.303 40 0 IKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(-c3ccccc3)cc1)N2 ZINC000409100707 556796692 /nfs/dbraw/zinc/79/66/92/556796692.db2.gz WECOZJZMIRGIBJ-JXALWOEJSA-N -1 3 444.497 5.879 40 0 IKABHM CCOC(=O)c1c([N-]C(=O)COc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409113690 556803913 /nfs/dbraw/zinc/80/39/13/556803913.db2.gz FVIYPOQCEGAOHK-UHFFFAOYSA-N -1 3 441.483 5.808 40 0 IKABHM Cc1ccc([C@@H]2c3c(-c4ccccc4)n[n-]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006407307 556834497 /nfs/dbraw/zinc/83/44/97/556834497.db2.gz PEEJRTKTLZHGAV-HSZRJFAPSA-N -1 3 433.433 6.154 40 0 IKABHM Cc1ccc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000006407307 556834500 /nfs/dbraw/zinc/83/45/00/556834500.db2.gz PEEJRTKTLZHGAV-HSZRJFAPSA-N -1 3 433.433 6.154 40 0 IKABHM O=C([N-]c1nc(-c2ccc(Br)cc2)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000019648436 556841350 /nfs/dbraw/zinc/84/13/50/556841350.db2.gz JGOGNEMJNAHJIS-UHFFFAOYSA-N -1 3 449.198 5.520 40 0 IKABHM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1Nc1ccccc1 ZINC000408801699 556858637 /nfs/dbraw/zinc/85/86/37/556858637.db2.gz WYDCEKGRICSTCZ-GUHZEUAUSA-N -1 3 427.977 6.100 40 0 IKABHM O=C([O-])c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000408882080 556878472 /nfs/dbraw/zinc/87/84/72/556878472.db2.gz PFANPKNMMZLIFN-UHFFFAOYSA-N -1 3 428.532 5.092 40 0 IKABHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958416 556900422 /nfs/dbraw/zinc/90/04/22/556900422.db2.gz YQCWTNLAEOHXBU-GTNSWQLSSA-N -1 3 441.277 5.036 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2sc3c(c21)CCCCC3 ZINC000408986690 556909625 /nfs/dbraw/zinc/90/96/25/556909625.db2.gz CYNNZROWGOHGJL-UHFFFAOYSA-N -1 3 431.344 6.900 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2sc3c(c21)CCCCCC3 ZINC000408991614 556911613 /nfs/dbraw/zinc/91/16/13/556911613.db2.gz QSKSNAQHPRHZHG-UHFFFAOYSA-N -1 3 445.371 7.290 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c21)CCCCC3 ZINC000408992075 556911896 /nfs/dbraw/zinc/91/18/96/556911896.db2.gz RXHPKGFMHJWGAZ-UHFFFAOYSA-N -1 3 431.344 6.900 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409066721 556941857 /nfs/dbraw/zinc/94/18/57/556941857.db2.gz PJINSEYYPATRRK-GZTJUZNOSA-N -1 3 443.684 5.460 40 0 IKABHM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020044075 556972617 /nfs/dbraw/zinc/97/26/17/556972617.db2.gz GEFYFTJAPIDSJX-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)cc1 ZINC000409166407 556979836 /nfs/dbraw/zinc/97/98/36/556979836.db2.gz FNRPJMWEAJEIPD-SFHVURJKSA-N -1 3 440.590 5.224 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)cc2)cc1 ZINC000409166404 556982252 /nfs/dbraw/zinc/98/22/52/556982252.db2.gz FNRPJMWEAJEIPD-GOSISDBHSA-N -1 3 440.590 5.224 40 0 IKABHM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020107569 556983844 /nfs/dbraw/zinc/98/38/44/556983844.db2.gz AAIWJBAFZORVFC-UHFFFAOYSA-N -1 3 442.968 5.736 40 0 IKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409175244 556985458 /nfs/dbraw/zinc/98/54/58/556985458.db2.gz YLNFHXZILGCOBH-UHFFFAOYSA-N -1 3 444.553 5.056 40 0 IKABHM O=C1[N-]C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409172199 556985603 /nfs/dbraw/zinc/98/56/03/556985603.db2.gz CWBZUXDEAWMOIL-GZTJUZNOSA-N -1 3 436.880 5.058 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551038 557036411 /nfs/dbraw/zinc/03/64/11/557036411.db2.gz JCXJUOKHRREKPD-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552192 557036586 /nfs/dbraw/zinc/03/65/86/557036586.db2.gz PCSZRNDEXUWYLH-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552476 557036600 /nfs/dbraw/zinc/03/66/00/557036600.db2.gz PZRPUFYRWQPSTO-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1F ZINC000408552058 557036664 /nfs/dbraw/zinc/03/66/64/557036664.db2.gz NPNPVDBQIFLFPC-UHFFFAOYSA-N -1 3 442.512 5.011 40 0 IKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556802 557037533 /nfs/dbraw/zinc/03/75/33/557037533.db2.gz JXDMBIWYIBQEGD-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000408557904 557037793 /nfs/dbraw/zinc/03/77/93/557037793.db2.gz ORQJJOUROSPWTI-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)N1 ZINC000408562844 557040582 /nfs/dbraw/zinc/04/05/82/557040582.db2.gz DZPVQRCRVBBFRQ-JOCHJYFZSA-N -1 3 434.458 5.217 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409221585 557041147 /nfs/dbraw/zinc/04/11/47/557041147.db2.gz SIIFAELPELYPRN-GZTJUZNOSA-N -1 3 432.785 5.716 40 0 IKABHM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408575657 557045239 /nfs/dbraw/zinc/04/52/39/557045239.db2.gz OXFXPRJLHWKFEM-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)c(Cl)c1)N2 ZINC000409342371 557069924 /nfs/dbraw/zinc/06/99/24/557069924.db2.gz BQABZZAENBIRHY-STXHMFSFSA-N -1 3 430.898 5.564 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C)c(Cl)c1)N2 ZINC000409342373 557069999 /nfs/dbraw/zinc/06/99/99/557069999.db2.gz BQABZZAENBIRHY-SXGZJXTBSA-N -1 3 430.898 5.564 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244535 557080097 /nfs/dbraw/zinc/08/00/97/557080097.db2.gz FCUYISCCDDSACF-GZTJUZNOSA-N -1 3 443.684 5.460 40 0 IKABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409266168 557081843 /nfs/dbraw/zinc/08/18/43/557081843.db2.gz KALYAVAMJXDJRM-UHFFFAOYSA-N -1 3 427.287 5.897 40 0 IKABHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408680885 557098669 /nfs/dbraw/zinc/09/86/69/557098669.db2.gz SJUNUKXBZUEXMI-UHFFFAOYSA-N -1 3 440.590 5.469 40 0 IKABHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102737087 557132406 /nfs/dbraw/zinc/13/24/06/557132406.db2.gz ZVBJMQNTKVGGNM-KWXIBIRDSA-N -1 3 448.522 5.453 40 0 IKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102709192 557133238 /nfs/dbraw/zinc/13/32/38/557133238.db2.gz SBXXZWYDZDXGMP-UODIDJSMSA-N -1 3 434.495 5.199 40 0 IKABHM CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000409386569 557141962 /nfs/dbraw/zinc/14/19/62/557141962.db2.gz MXPFVMXBQPRNBZ-UHFFFAOYSA-N -1 3 444.560 5.494 40 0 IKABHM Cc1sc2nc(-c3ccc(OCc4ccccc4)c(Br)c3)[n-]c(=O)c2c1C ZINC000408734470 557142084 /nfs/dbraw/zinc/14/20/84/557142084.db2.gz GSJXYKISKGWOIG-UHFFFAOYSA-N -1 3 441.350 6.022 40 0 IKABHM COc1c(Br)cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc1Br ZINC000408734117 557143378 /nfs/dbraw/zinc/14/33/78/557143378.db2.gz DDZFGYUBQLIQHV-UHFFFAOYSA-N -1 3 444.148 5.214 40 0 IKABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2C)c1 ZINC000409412507 557145584 /nfs/dbraw/zinc/14/55/84/557145584.db2.gz QQWYYLMSDZPRTG-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(Cl)c1[O-] ZINC000106719558 557159195 /nfs/dbraw/zinc/15/91/95/557159195.db2.gz SPTAARKRRIKLSR-ODLFYWEKSA-N -1 3 425.893 5.444 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000012488033 557245113 /nfs/dbraw/zinc/24/51/13/557245113.db2.gz RPHJUCHSXDTHDP-UHFFFAOYSA-N -1 3 436.577 5.654 40 0 IKABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000101220509 557279387 /nfs/dbraw/zinc/27/93/87/557279387.db2.gz IRKTWDNRKMSRGK-GSDHBNRESA-N -1 3 434.495 5.199 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102736700 557306889 /nfs/dbraw/zinc/30/68/89/557306889.db2.gz QDBHHIFPYJLHRN-HKBOAZHASA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3[O-])oc2c(C)c1 ZINC000014270280 557429723 /nfs/dbraw/zinc/42/97/23/557429723.db2.gz VKYJOMCAYDDYLM-UHFFFAOYSA-N -1 3 445.544 5.561 40 0 IKABHM COc1c(Cl)cc(C(=O)Nc2cc(C)c([O-])c(-c3nc4ncccc4o3)c2)cc1Cl ZINC000016269602 557471432 /nfs/dbraw/zinc/47/14/32/557471432.db2.gz ZOYGEIYAIYHILQ-UHFFFAOYSA-N -1 3 444.274 5.472 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3[O-])oc2c1 ZINC000017097566 557479506 /nfs/dbraw/zinc/47/95/06/557479506.db2.gz CKSYTIBWWNUOAV-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3[O-])nc2c1 ZINC000017099494 557483034 /nfs/dbraw/zinc/48/30/34/557483034.db2.gz CFRWVTRWGUBVFK-UHFFFAOYSA-N -1 3 435.480 5.029 40 0 IKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000017095891 557486991 /nfs/dbraw/zinc/48/69/91/557486991.db2.gz HQTZFNMUVBCLHL-UHFFFAOYSA-N -1 3 428.513 5.251 40 0 IKABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000019646381 557505196 /nfs/dbraw/zinc/50/51/96/557505196.db2.gz ZIAWMVFGQJEOJF-UHFFFAOYSA-N -1 3 447.585 5.721 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)cc1 ZINC000224057613 557552998 /nfs/dbraw/zinc/55/29/98/557552998.db2.gz KPQUMDYTMSDSSC-UHFFFAOYSA-N -1 3 446.528 5.210 40 0 IKABHM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000224526574 557616644 /nfs/dbraw/zinc/61/66/44/557616644.db2.gz OEJWRZJCLUAQNX-UHFFFAOYSA-N -1 3 426.513 5.176 40 0 IKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccco1 ZINC000224595836 557628826 /nfs/dbraw/zinc/62/88/26/557628826.db2.gz GFSPSTCSSRWDOY-BJKOFHAPSA-N -1 3 444.560 5.024 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224596456 557629052 /nfs/dbraw/zinc/62/90/52/557629052.db2.gz FMEKUBDBIMPUGY-XZOQPEGZSA-N -1 3 446.963 5.408 40 0 IKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCC1 ZINC000224599935 557629457 /nfs/dbraw/zinc/62/94/57/557629457.db2.gz MYOIHIDYPPYGPF-RPWUZVMVSA-N -1 3 432.593 5.498 40 0 IKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCCC1 ZINC000224600155 557629473 /nfs/dbraw/zinc/62/94/73/557629473.db2.gz HNFFKWAMFXJDJS-RPBOFIJWSA-N -1 3 446.620 5.888 40 0 IKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C1CCCC1 ZINC000224599985 557629553 /nfs/dbraw/zinc/62/95/53/557629553.db2.gz MYOIHIDYPPYGPF-BJKOFHAPSA-N -1 3 432.593 5.498 40 0 IKABHM Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224611039 557630492 /nfs/dbraw/zinc/63/04/92/557630492.db2.gz BBDBZTLCAKSBCB-DNQXCXABSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611382 557630567 /nfs/dbraw/zinc/63/05/67/557630567.db2.gz KVORUJFALZDSPE-ZEQRLZLVSA-N -1 3 426.545 5.063 40 0 IKABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1C ZINC000224614672 557631181 /nfs/dbraw/zinc/63/11/81/557631181.db2.gz AZJNBVNXBIWLCP-DQEYMECFSA-N -1 3 440.572 5.372 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224615559 557631438 /nfs/dbraw/zinc/63/14/38/557631438.db2.gz JOPLIUQKVKFZBX-GOTSBHOMSA-N -1 3 445.569 5.709 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224616515 557631445 /nfs/dbraw/zinc/63/14/45/557631445.db2.gz CQXLKBBTGJOMKR-XZOQPEGZSA-N -1 3 447.947 5.878 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000224615711 557631499 /nfs/dbraw/zinc/63/14/99/557631499.db2.gz JOPLIUQKVKFZBX-DHIUTWEWSA-N -1 3 445.569 5.709 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207111 557647539 /nfs/dbraw/zinc/64/75/39/557647539.db2.gz YGXRFKDFEIPKQD-IBGZPJMESA-N -1 3 448.588 5.421 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224876166 557661010 /nfs/dbraw/zinc/66/10/10/557661010.db2.gz RNKRSQOWWFYLSR-GOTSBHOMSA-N -1 3 446.963 5.408 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000224885232 557662300 /nfs/dbraw/zinc/66/23/00/557662300.db2.gz BNKUPIATYIOAQD-PKTZIBPZSA-N -1 3 446.963 5.408 40 0 IKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)cc1 ZINC000224998047 557675616 /nfs/dbraw/zinc/67/56/16/557675616.db2.gz IHGMIPOFHGBJNG-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(C)C ZINC000225338539 557712225 /nfs/dbraw/zinc/71/22/25/557712225.db2.gz GZVMQSKTZCAWMP-UHFFFAOYSA-N -1 3 432.767 5.344 40 0 IKABHM O=C([N-]c1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccc(Cl)cc1 ZINC000225771805 557775255 /nfs/dbraw/zinc/77/52/55/557775255.db2.gz NAXTZQFGEUHOPS-UHFFFAOYSA-N -1 3 442.327 6.557 40 0 IKABHM O=C([N-]c1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccc(F)cc1 ZINC000225781426 557777461 /nfs/dbraw/zinc/77/74/61/557777461.db2.gz LURFWXYZIHCATN-UHFFFAOYSA-N -1 3 425.872 6.042 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000058951819 557813604 /nfs/dbraw/zinc/81/36/04/557813604.db2.gz JZJKMZKMVIRFQA-UHFFFAOYSA-N -1 3 446.503 5.546 40 0 IKABHM O=C1[N-][C@@H](c2ccc(OCc3ccccc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000059459478 557821412 /nfs/dbraw/zinc/82/14/12/557821412.db2.gz SROLSRBTMQKHMU-NRFANRHFSA-N -1 3 445.569 5.701 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000010315296 569222737 /nfs/dbraw/zinc/22/27/37/569222737.db2.gz RLFQDJHQWPIYKS-UHFFFAOYSA-N -1 3 436.577 5.491 40 0 IKABHM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000015529148 569225490 /nfs/dbraw/zinc/22/54/90/569225490.db2.gz VOHKMIBXVJMHHI-UHFFFAOYSA-N -1 3 426.563 5.078 40 0 IKABHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc21 ZINC000026111091 569242123 /nfs/dbraw/zinc/24/21/23/569242123.db2.gz MDVDZTKLTYFADV-UHFFFAOYSA-N -1 3 433.360 6.063 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000028207113 569242749 /nfs/dbraw/zinc/24/27/49/569242749.db2.gz YGXRFKDFEIPKQD-LJQANCHMSA-N -1 3 448.588 5.421 40 0 IKABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000009304730 569295301 /nfs/dbraw/zinc/29/53/01/569295301.db2.gz LNTRJTHXPKASLK-GVAUOCQISA-N -1 3 440.543 5.344 40 0 IKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000009319144 569295429 /nfs/dbraw/zinc/29/54/29/569295429.db2.gz MCAJYCWBANOJCU-XWGVYQGASA-N -1 3 446.934 5.316 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009358280 569295817 /nfs/dbraw/zinc/29/58/17/569295817.db2.gz IBKYNEFOMSOAHD-HBMCJLEFSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000009459791 569296419 /nfs/dbraw/zinc/29/64/19/569296419.db2.gz DNRSHPPENRRNNQ-WWNPGLIZSA-N -1 3 432.907 5.008 40 0 IKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccccc3Cl)sc2c1 ZINC000032118725 569583644 /nfs/dbraw/zinc/58/36/44/569583644.db2.gz HQCIXBGPAMXKJA-UHFFFAOYSA-N -1 3 433.986 5.184 40 0 IKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000020572828 521384655 /nfs/dbraw/zinc/38/46/55/521384655.db2.gz MACLXJLFJRGVLK-UHFFFAOYSA-N -1 3 446.912 5.387 40 0 IKABHM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020488880 524241167 /nfs/dbraw/zinc/24/11/67/524241167.db2.gz BVPUSKKEMRMJHM-UHFFFAOYSA-N -1 3 442.968 5.825 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1 ZINC000020454987 525219851 /nfs/dbraw/zinc/21/98/51/525219851.db2.gz PWCLENOSQNPSDE-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM Cc1ccc(C(C)C)c(OCC(=O)[N-]C(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000016291115 526246912 /nfs/dbraw/zinc/24/69/12/526246912.db2.gz AFYLOHSVUBPQHY-UHFFFAOYSA-N -1 3 448.013 5.582 40 0 IKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c(C)c1 ZINC000001263914 555688119 /nfs/dbraw/zinc/68/81/19/555688119.db2.gz RSCIMLZGTUVRCV-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3[O-])nc2c1 ZINC000001267263 555688739 /nfs/dbraw/zinc/68/87/39/555688739.db2.gz OTBVIYFECFAPOC-UHFFFAOYSA-N -1 3 431.517 5.252 40 0 IKABHM Cc1cccn2c(CN3CCC(C(=O)[O-])CC3)c(-c3ccc(-c4ccccc4)cc3)nc12 ZINC000002528835 555785868 /nfs/dbraw/zinc/78/58/68/555785868.db2.gz VJXDAHIWUYYKHE-UHFFFAOYSA-N -1 3 425.532 5.273 40 0 IKABHM CCOc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147364 555892414 /nfs/dbraw/zinc/89/24/14/555892414.db2.gz IIRIARBRGDSKOS-RUZDIDTESA-N -1 3 443.934 6.187 40 0 IKABHM CCOc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000035147364 555892416 /nfs/dbraw/zinc/89/24/16/555892416.db2.gz IIRIARBRGDSKOS-RUZDIDTESA-N -1 3 443.934 6.187 40 0 IKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408627425 555998320 /nfs/dbraw/zinc/99/83/20/555998320.db2.gz ZNVJQHPHBFZFSE-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000009233372 556262083 /nfs/dbraw/zinc/26/20/83/556262083.db2.gz ZAPNGRIIONSWIA-VIZOYTHASA-N -1 3 444.723 5.598 40 0 IKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1[O-] ZINC000009233384 556262494 /nfs/dbraw/zinc/26/24/94/556262494.db2.gz FIOOACASMVEVEO-GIDUJCDVSA-N -1 3 428.268 5.083 40 0 IKABHM Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000010372828 556333939 /nfs/dbraw/zinc/33/39/39/556333939.db2.gz CCGPZIOEXYUYKD-UHFFFAOYSA-N -1 3 428.557 6.428 40 0 IKABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030847846 556507865 /nfs/dbraw/zinc/50/78/65/556507865.db2.gz CTROHXLNSKIVIL-QGZVFWFLSA-N -1 3 442.968 5.249 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000030851724 556509034 /nfs/dbraw/zinc/50/90/34/556509034.db2.gz RZLBKJXEQPGACE-UHFFFAOYSA-N -1 3 432.954 5.115 40 0 IKABHM O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015412418 556525140 /nfs/dbraw/zinc/52/51/40/556525140.db2.gz JTFKDABTRYZNQS-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CC(C)c1ccc([O-])c(Cc2cc(C(C)C)cc(CC3CC(C(C)C)=C=CC3=O)c2O)c1 ZINC000032067772 556528486 /nfs/dbraw/zinc/52/84/86/556528486.db2.gz YTLVEQYDQLXQMU-UHFFFAOYSA-N -1 3 432.604 7.431 40 0 IKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000408953575 556552898 /nfs/dbraw/zinc/55/28/98/556552898.db2.gz MDSSHBYGCKDBGW-NRFANRHFSA-N -1 3 428.495 5.307 40 0 IKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013673086 556553385 /nfs/dbraw/zinc/55/33/85/556553385.db2.gz IXDNXABBLIWYEW-UHFFFAOYSA-N -1 3 446.981 5.256 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(F)cc1Cl ZINC000016214752 556591433 /nfs/dbraw/zinc/59/14/33/556591433.db2.gz ODWYTGSOXZSCRH-UHFFFAOYSA-N -1 3 429.875 5.055 40 0 IKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214720 556591436 /nfs/dbraw/zinc/59/14/36/556591436.db2.gz SFSMPUJEKFNFKI-UHFFFAOYSA-N -1 3 446.330 5.569 40 0 IKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100961974 556629573 /nfs/dbraw/zinc/62/95/73/556629573.db2.gz SBXXZWYDZDXGMP-GSDHBNRESA-N -1 3 434.495 5.199 40 0 IKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000101001554 556634749 /nfs/dbraw/zinc/63/47/49/556634749.db2.gz MCAJYCWBANOJCU-JRFVFWCSSA-N -1 3 446.934 5.316 40 0 IKABHM Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000017101757 556666271 /nfs/dbraw/zinc/66/62/71/556666271.db2.gz WPUDOKWRDSVZEW-UHFFFAOYSA-N -1 3 437.908 5.289 40 0 IKABHM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044839411 556668083 /nfs/dbraw/zinc/66/80/83/556668083.db2.gz AQCHFCIHGVOQEP-UHFFFAOYSA-N -1 3 442.968 5.572 40 0 IKABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000044839738 556668154 /nfs/dbraw/zinc/66/81/54/556668154.db2.gz QYRLODKRNSOUPG-KRWDZBQOSA-N -1 3 442.968 5.249 40 0 IKABHM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880854 556674483 /nfs/dbraw/zinc/67/44/83/556674483.db2.gz KQMQTKUGIYHCDO-UHFFFAOYSA-N -1 3 435.332 5.355 40 0 IKABHM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044886235 556675796 /nfs/dbraw/zinc/67/57/96/556675796.db2.gz LRQIUGZSBPBLMI-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013750716 556726013 /nfs/dbraw/zinc/72/60/13/556726013.db2.gz VFLVERBIEIQBPN-ACRUOGEOSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)cc1C ZINC000001223755 556768695 /nfs/dbraw/zinc/76/86/95/556768695.db2.gz ATRRLYIXIGVICH-UHFFFAOYSA-N -1 3 444.560 5.047 40 0 IKABHM CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1 ZINC000001223793 556769018 /nfs/dbraw/zinc/76/90/18/556769018.db2.gz GCQSWWVXORXWHC-UHFFFAOYSA-N -1 3 444.560 5.242 40 0 IKABHM Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000001223787 556769051 /nfs/dbraw/zinc/76/90/51/556769051.db2.gz NIOBFELBPIRAOZ-GOSISDBHSA-N -1 3 444.560 5.376 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409094330 556793955 /nfs/dbraw/zinc/79/39/55/556793955.db2.gz DDGADPAVFRDWJU-YBEGLDIGSA-N -1 3 433.678 6.004 40 0 IKABHM O=C1[N-]C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409100349 556796644 /nfs/dbraw/zinc/79/66/44/556796644.db2.gz MVROONBGESLCRK-GZTJUZNOSA-N -1 3 436.880 5.058 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(F)cc1 ZINC000408905910 556884214 /nfs/dbraw/zinc/88/42/14/556884214.db2.gz AUUGPVOMHRLRJI-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000408957972 556900408 /nfs/dbraw/zinc/90/04/08/556900408.db2.gz WSCSURPVTWDNRR-QGZVFWFLSA-N -1 3 441.277 5.182 40 0 IKABHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408958417 556900531 /nfs/dbraw/zinc/90/05/31/556900531.db2.gz YQCWTNLAEOHXBU-PIGZYNQJSA-N -1 3 441.277 5.036 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c21)CCCCCC3 ZINC000408991666 556911716 /nfs/dbraw/zinc/91/17/16/556911716.db2.gz QVXAHDXHQFYUMF-UHFFFAOYSA-N -1 3 445.371 7.290 40 0 IKABHM O=c1[n-]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c21)CCCCC3 ZINC000408991826 556911752 /nfs/dbraw/zinc/91/17/52/556911752.db2.gz RDCMRYYLFIOBEJ-UHFFFAOYSA-N -1 3 441.350 6.355 40 0 IKABHM O=c1[n-]c(-c2ccc(Sc3cccc4cccnc43)o2)nc2sc3c(c21)CCCC3 ZINC000408993822 556913010 /nfs/dbraw/zinc/91/30/10/556913010.db2.gz WZZAMMPMBXOBKF-UHFFFAOYSA-N -1 3 431.542 6.235 40 0 IKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccccc1Sc1ccccc1 ZINC000019937696 556951493 /nfs/dbraw/zinc/95/14/93/556951493.db2.gz AWFZVXWXPKOAMU-UHFFFAOYSA-N -1 3 447.947 5.423 40 0 IKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409100119 556954953 /nfs/dbraw/zinc/95/49/53/556954953.db2.gz SMQUGGAIRGGQDD-BOPFTXTBSA-N -1 3 443.684 5.460 40 0 IKABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020034996 556969742 /nfs/dbraw/zinc/96/97/42/556969742.db2.gz VRKNOJGLQVZWIT-UHFFFAOYSA-N -1 3 449.359 5.284 40 0 IKABHM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000409167064 556980989 /nfs/dbraw/zinc/98/09/89/556980989.db2.gz IKUUVVPRGJXOLM-VGOFMYFVSA-N -1 3 447.343 5.446 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 ZINC000409174319 556984984 /nfs/dbraw/zinc/98/49/84/556984984.db2.gz RVXYMWHHCYHUDN-UHFFFAOYSA-N -1 3 440.590 5.225 40 0 IKABHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1ccc(Cl)cc1 ZINC000409246304 557027986 /nfs/dbraw/zinc/02/79/86/557027986.db2.gz APUBBCNRGDGEMF-GZTJUZNOSA-N -1 3 447.368 6.303 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550040 557035248 /nfs/dbraw/zinc/03/52/48/557035248.db2.gz AUTGAHGQBPDWQH-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000408549959 557035343 /nfs/dbraw/zinc/03/53/43/557035343.db2.gz ABXCALXKHWLHFV-UHFFFAOYSA-N -1 3 428.598 5.201 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553474 557036043 /nfs/dbraw/zinc/03/60/43/557036043.db2.gz WSTBLEDTSFOYTF-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1C ZINC000408554603 557036989 /nfs/dbraw/zinc/03/69/89/557036989.db2.gz CPRJDTXVMYUNFO-UHFFFAOYSA-N -1 3 444.940 5.019 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)N1CCCCCC1 ZINC000408581953 557044948 /nfs/dbraw/zinc/04/49/48/557044948.db2.gz BDYIIXIMALQBPD-UHFFFAOYSA-N -1 3 442.368 5.202 40 0 IKABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408591363 557056529 /nfs/dbraw/zinc/05/65/29/557056529.db2.gz LLNHQZCXJBWLEG-UHFFFAOYSA-N -1 3 449.882 5.033 40 0 IKABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408593631 557057379 /nfs/dbraw/zinc/05/73/79/557057379.db2.gz MVHMMHYBSKEVTR-UHFFFAOYSA-N -1 3 439.537 5.057 40 0 IKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 ZINC000408601927 557068527 /nfs/dbraw/zinc/06/85/27/557068527.db2.gz CJINZMVLFKOCBL-UHFFFAOYSA-N -1 3 442.968 5.627 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767118 557128928 /nfs/dbraw/zinc/12/89/28/557128928.db2.gz KHPITMRRNYEMBB-UHFFFAOYSA-N -1 3 440.952 5.042 40 0 IKABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(C(C)(C)C)cc1)N2 ZINC000409352539 557132763 /nfs/dbraw/zinc/13/27/63/557132763.db2.gz DEKHUCXCUOCCPU-STSQHVNTSA-N -1 3 438.534 5.899 40 0 IKABHM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216337784 557143441 /nfs/dbraw/zinc/14/34/41/557143441.db2.gz PRQMYOVBGLKWCJ-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000216353025 557144047 /nfs/dbraw/zinc/14/40/47/557144047.db2.gz LEFLNVULYIHGMW-UHFFFAOYSA-N -1 3 444.940 5.100 40 0 IKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000409412262 557145548 /nfs/dbraw/zinc/14/55/48/557145548.db2.gz CSSIEARUBZPYGE-UHFFFAOYSA-N -1 3 444.560 5.296 40 0 IKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 ZINC000216448582 557146777 /nfs/dbraw/zinc/14/67/77/557146777.db2.gz JOJVDRJSBALKMD-OAQYLSRUSA-N -1 3 442.968 5.330 40 0 IKABHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106699745 557156302 /nfs/dbraw/zinc/15/63/02/557156302.db2.gz IYXDPKUUWKSBNC-UUASQNMZSA-N -1 3 444.723 5.598 40 0 IKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000106701853 557157624 /nfs/dbraw/zinc/15/76/24/557157624.db2.gz FDOVTSOXYBUXJW-YVLHZVERSA-N -1 3 448.338 5.098 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3[O-])nc2c1 ZINC000009064916 557181526 /nfs/dbraw/zinc/18/15/26/557181526.db2.gz CBRFLPDPULNRTJ-UHFFFAOYSA-N -1 3 445.544 5.506 40 0 IKABHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112687 557205485 /nfs/dbraw/zinc/20/54/85/557205485.db2.gz ODZPISOBQIEWLB-UHFFFAOYSA-N -1 3 438.401 6.228 40 0 IKABHM CCCCCCc1cc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=N)oc2cc1[O-] ZINC000013382165 557309531 /nfs/dbraw/zinc/30/95/31/557309531.db2.gz LFBMBGIIYSWYFA-UHFFFAOYSA-N -1 3 433.335 6.300 40 0 IKABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000033920297 557384047 /nfs/dbraw/zinc/38/40/47/557384047.db2.gz GWFDKPXTLMKEHJ-SBHAEUEKSA-N -1 3 439.298 5.045 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000013980887 557399794 /nfs/dbraw/zinc/39/97/94/557399794.db2.gz FAVLZDYSBPIAOB-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1Cl ZINC000014154202 557425830 /nfs/dbraw/zinc/42/58/30/557425830.db2.gz QADRSXOSGVWZQM-UHFFFAOYSA-N -1 3 431.985 5.689 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1C ZINC000014155467 557427154 /nfs/dbraw/zinc/42/71/54/557427154.db2.gz LWZCUEWCKBOFDX-UHFFFAOYSA-N -1 3 429.929 5.402 40 0 IKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3[O-])oc2c1 ZINC000014270262 557429698 /nfs/dbraw/zinc/42/96/98/557429698.db2.gz LCDWBMSNKHBOSH-UHFFFAOYSA-N -1 3 445.544 5.759 40 0 IKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3[O-])oc2c(C)c1 ZINC000017099497 557483112 /nfs/dbraw/zinc/48/31/12/557483112.db2.gz RTYFDCFLVYEXFY-UHFFFAOYSA-N -1 3 435.480 5.083 40 0 IKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000223649030 557496933 /nfs/dbraw/zinc/49/69/33/557496933.db2.gz OQSWIEDRBTXLIM-UHFFFAOYSA-N -1 3 431.985 5.617 40 0 IKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3[O-])nc2c1 ZINC000019643682 557504516 /nfs/dbraw/zinc/50/45/16/557504516.db2.gz FYFWLXYBWNWFQD-UHFFFAOYSA-N -1 3 445.544 5.506 40 0 IKABHM CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223961021 557534915 /nfs/dbraw/zinc/53/49/15/557534915.db2.gz KBBAEKZFYXMOPD-UHFFFAOYSA-N -1 3 426.513 5.004 40 0 IKABHM Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223961131 557535068 /nfs/dbraw/zinc/53/50/68/557535068.db2.gz CJIAWBBPFZPJCM-UHFFFAOYSA-N -1 3 426.513 5.311 40 0 IKABHM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccc(C)cc1C ZINC000223964109 557535436 /nfs/dbraw/zinc/53/54/36/557535436.db2.gz WKZUPMZURHFBKQ-JOCHJYFZSA-N -1 3 440.540 5.124 40 0 IKABHM CN(Cc1cccc2ccccc21)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000224080213 557557394 /nfs/dbraw/zinc/55/73/94/557557394.db2.gz OIDFRXPKVLMREP-UHFFFAOYSA-N -1 3 448.519 5.052 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1 ZINC000224527762 557616909 /nfs/dbraw/zinc/61/69/09/557616909.db2.gz AEPXDCUEOHMWNF-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224534854 557617796 /nfs/dbraw/zinc/61/77/96/557617796.db2.gz HYPONEOSARBMPF-UHFFFAOYSA-N -1 3 446.981 5.180 40 0 IKABHM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224536141 557617978 /nfs/dbraw/zinc/61/79/78/557617978.db2.gz HPEFHCNGUFNVNB-OAHLLOKOSA-N -1 3 446.981 5.260 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)c1ccccc1F ZINC000224537869 557618235 /nfs/dbraw/zinc/61/82/35/557618235.db2.gz HNFAEGRMLGLUKI-UHFFFAOYSA-N -1 3 439.295 5.186 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000224540472 557618640 /nfs/dbraw/zinc/61/86/40/557618640.db2.gz XAXIRMOHWUZCFN-UHFFFAOYSA-N -1 3 446.503 5.546 40 0 IKABHM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000224553729 557622086 /nfs/dbraw/zinc/62/20/86/557622086.db2.gz CTLFSYHOOFNRCE-UHFFFAOYSA-N -1 3 444.940 5.182 40 0 IKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)C1CCCCC1 ZINC000224556539 557622679 /nfs/dbraw/zinc/62/26/79/557622679.db2.gz LKPSFUQAPKDATL-UHFFFAOYSA-N -1 3 427.353 5.313 40 0 IKABHM O=C(CCc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224567974 557624892 /nfs/dbraw/zinc/62/48/92/557624892.db2.gz YVVFCUSNSFIZQL-UHFFFAOYSA-N -1 3 448.519 5.351 40 0 IKABHM Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224596864 557629075 /nfs/dbraw/zinc/62/90/75/557629075.db2.gz FBEJSNGHWQKRKW-BJKOFHAPSA-N -1 3 426.545 5.063 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224596500 557629125 /nfs/dbraw/zinc/62/91/25/557629125.db2.gz FMEKUBDBIMPUGY-DHIUTWEWSA-N -1 3 446.963 5.408 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224616347 557631397 /nfs/dbraw/zinc/63/13/97/557631397.db2.gz HKHJPKROTUZHMF-DHIUTWEWSA-N -1 3 431.492 5.363 40 0 IKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224616427 557631451 /nfs/dbraw/zinc/63/14/51/557631451.db2.gz CQXLKBBTGJOMKR-GOTSBHOMSA-N -1 3 447.947 5.878 40 0 IKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C ZINC000224863872 557659817 /nfs/dbraw/zinc/65/98/17/557659817.db2.gz JBDZNHXGPXMACZ-UHFFFAOYSA-N -1 3 425.594 5.581 40 0 IKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CC1 ZINC000224863149 557659872 /nfs/dbraw/zinc/65/98/72/557659872.db2.gz PCTZAHKKRMXZKA-YADHBBJMSA-N -1 3 438.984 5.371 40 0 IKABHM CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224865919 557659941 /nfs/dbraw/zinc/65/99/41/557659941.db2.gz FEYGUVDSBJFYMJ-PMACEKPBSA-N -1 3 426.973 5.174 40 0 IKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000224866822 557660258 /nfs/dbraw/zinc/66/02/58/557660258.db2.gz CQIZSFUDQJWYJP-VXKWHMMOSA-N -1 3 441.000 5.617 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 ZINC000224876207 557661050 /nfs/dbraw/zinc/66/10/50/557661050.db2.gz RNKRSQOWWFYLSR-PKTZIBPZSA-N -1 3 446.963 5.408 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000224880640 557661926 /nfs/dbraw/zinc/66/19/26/557661926.db2.gz TXKOLGYLWPEOND-PKTZIBPZSA-N -1 3 447.947 5.878 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000224880681 557661954 /nfs/dbraw/zinc/66/19/54/557661954.db2.gz TXKOLGYLWPEOND-XZOQPEGZSA-N -1 3 447.947 5.878 40 0 IKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 ZINC000224885309 557662370 /nfs/dbraw/zinc/66/23/70/557662370.db2.gz BNKUPIATYIOAQD-DHIUTWEWSA-N -1 3 446.963 5.408 40 0 IKABHM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000225051996 557683123 /nfs/dbraw/zinc/68/31/23/557683123.db2.gz RSINXWDMURCYGL-UHFFFAOYSA-N -1 3 449.359 5.663 40 0 IKABHM COc1cccc(-c2nnsc2C(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000225767963 557774981 /nfs/dbraw/zinc/77/49/81/557774981.db2.gz JRWSOOWMXIOEGC-UHFFFAOYSA-N -1 3 437.908 5.912 40 0 IKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000059133041 557815109 /nfs/dbraw/zinc/81/51/09/557815109.db2.gz BFVQXSAIXAQENJ-GIDUJCDVSA-N -1 3 426.925 5.101 40 0 IKABHM O=C1[N-][C@H](c2ccc(OCc3ccccc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000059459477 557821367 /nfs/dbraw/zinc/82/13/67/557821367.db2.gz SROLSRBTMQKHMU-OAQYLSRUSA-N -1 3 445.569 5.701 40 0 IKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000059475324 557824725 /nfs/dbraw/zinc/82/47/25/557824725.db2.gz QJRARIVMOJIEEZ-UHFFFAOYSA-N -1 3 436.924 5.024 40 0 IKABHM Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc(Br)c1[O-] ZINC000226243190 569177823 /nfs/dbraw/zinc/17/78/23/569177823.db2.gz TVZWNYKQGZPJCW-UHFFFAOYSA-N -1 3 443.135 5.022 40 0 IKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000010331787 569223232 /nfs/dbraw/zinc/22/32/32/569223232.db2.gz GYDZYCNXDIPHCS-UHFFFAOYSA-N -1 3 436.577 5.238 40 0 IKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028207129 569242807 /nfs/dbraw/zinc/24/28/07/569242807.db2.gz LDYOHJMQSLVLFC-IBGZPJMESA-N -1 3 434.561 5.004 40 0 IKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1sc2cc(Cl)ccc2c1Cl ZINC000033612454 569245000 /nfs/dbraw/zinc/24/50/00/569245000.db2.gz QGYLBDYKAJMREO-UHFFFAOYSA-N -1 3 447.368 6.194 40 0 IKABHM CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000214581133 569256200 /nfs/dbraw/zinc/25/62/00/569256200.db2.gz ADPUFSGNZBKVQR-LICLKQGHSA-N -1 3 448.338 5.098 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)[O-])c4)C[C@H]3C[C@@H]21 ZINC000257202961 569275651 /nfs/dbraw/zinc/27/56/51/569275651.db2.gz AOAFXEMCQCJBLD-SPAWWWTRSA-N -1 3 441.955 5.178 40 0 IKABHM COCCC(=O)N[C@]1(C)C[C@H](c2cc(Cl)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257297055 569278383 /nfs/dbraw/zinc/27/83/83/569278383.db2.gz RFPCFGANHPWLFK-VWPQPMDRSA-N -1 3 438.351 5.203 40 0 IKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257345094 569279911 /nfs/dbraw/zinc/27/99/11/569279911.db2.gz ZZXPGTDJAKUMGZ-TUUKDFBESA-N -1 3 441.955 5.178 40 0 IKABHM COc1ccc(-c2c3cc(Cl)cc(Cl)c3oc(=O)c2-c2cc([O-])cc(O)c2)cc1 ZINC000002573870 569409931 /nfs/dbraw/zinc/40/99/31/569409931.db2.gz ZLSOMSXALVEBRU-UHFFFAOYSA-N -1 3 429.255 5.854 40 0 IKABHM