smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1NC(=O)C(C)C ZINC000223255256 193957690 /nfs/dbraw/zinc/95/76/90/193957690.db2.gz OANFURDDFJGHGC-UHFFFAOYSA-N -1 1 440.590 5.471 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1C ZINC000010112441 132334870 /nfs/dbraw/zinc/33/48/70/132334870.db2.gz XXUXDVKLLKNHSY-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000020488460 519024267 /nfs/dbraw/zinc/02/42/67/519024267.db2.gz YEVSWHBVEGKHKT-UHFFFAOYSA-N -1 1 427.953 5.669 40 0 IKABMM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020495063 519846620 /nfs/dbraw/zinc/84/66/20/519846620.db2.gz CZGIKOGNPBJXNT-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020484308 521212007 /nfs/dbraw/zinc/21/20/07/521212007.db2.gz XGTAHPGWXHHFJJ-UHFFFAOYSA-N -1 1 437.561 5.415 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C)c(Cl)c2)cc1 ZINC000020455322 525601296 /nfs/dbraw/zinc/60/12/96/525601296.db2.gz DZSMABCUTFPLGH-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000020460508 525601595 /nfs/dbraw/zinc/60/15/95/525601595.db2.gz VWPXVCKIWJOAQH-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])oc2cc1C ZINC000016284183 525667156 /nfs/dbraw/zinc/66/71/56/525667156.db2.gz XSHHFLISUFNJPC-UHFFFAOYSA-N -1 1 427.287 6.376 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000020454173 525716787 /nfs/dbraw/zinc/71/67/87/525716787.db2.gz NMDZTOZSZTULIA-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccs1 ZINC000021305892 527256593 /nfs/dbraw/zinc/25/65/93/527256593.db2.gz FVSJCHDTPDIGFM-UHFFFAOYSA-N -1 1 427.334 5.108 40 0 IKABMM O=C(Nc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020486000 527297260 /nfs/dbraw/zinc/29/72/60/527297260.db2.gz LNUNBSRMKRTQNL-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM Cc1ccc(CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000001328969 555690274 /nfs/dbraw/zinc/69/02/74/555690274.db2.gz OCQKAPSFDCOROC-UHFFFAOYSA-N -1 1 437.546 5.138 40 0 aggregator IKABMM O=C(Cc1sc(Nc2ccccc2Cl)nc1[O-])Nc1ccc(Cl)cc1Cl ZINC000001622673 555706347 /nfs/dbraw/zinc/70/63/47/555706347.db2.gz UXVYYFRGYBIXLW-AWEZNQCLSA-N -1 1 428.728 5.086 40 0 IKABMM COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c([O-])c-2c(=O)c1C=CC(C)C ZINC000001763468 555712742 /nfs/dbraw/zinc/71/27/42/555712742.db2.gz KRGDFVQWQJIMEK-RMKNXTFCSA-N -1 1 436.504 5.763 40 0 endogenous,in-man IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408610334 555980772 /nfs/dbraw/zinc/98/07/72/555980772.db2.gz SYTBCTIWNDCVEC-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000408619694 555994915 /nfs/dbraw/zinc/99/49/15/555994915.db2.gz INSICHPCSVOAFM-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM COc1ccc2ccccc2c1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408631975 556003587 /nfs/dbraw/zinc/00/35/87/556003587.db2.gz BYCSOUVHMWTNHZ-UNOMPAQXSA-N -1 1 437.908 5.505 40 0 IKABMM O=C([O-])C(=Cc1ccc(Br)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632394 556005976 /nfs/dbraw/zinc/00/59/76/556005976.db2.gz FLOOWXFZTJFSGL-ZROIWOOFSA-N -1 1 436.718 5.105 40 0 IKABMM COc1cc(C)c(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1C(C)C ZINC000408633931 556009566 /nfs/dbraw/zinc/00/95/66/556009566.db2.gz NSMGCYKJTLCDNY-ODLFYWEKSA-N -1 1 443.956 5.783 40 0 IKABMM Cc1cc(Cl)ccc1Nc1nc([O-])c(CC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000005892183 556068953 /nfs/dbraw/zinc/06/89/53/556068953.db2.gz VKYDQDGPOZKLFN-HNNXBMFYSA-N -1 1 442.755 5.394 40 0 IKABMM Cc1nc2oc(C(=O)c3ccccc3)c([N-]C(=O)c3ccco3)c2c(C)c1Br ZINC000036559023 556288787 /nfs/dbraw/zinc/28/87/87/556288787.db2.gz AYXOKFSVVKRLEZ-UHFFFAOYSA-N -1 1 439.265 5.283 40 0 IKABMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)c(C)c1 ZINC000010112674 556326332 /nfs/dbraw/zinc/32/63/32/556326332.db2.gz UVXRYRFOYKPRFV-UHFFFAOYSA-N -1 1 432.010 6.358 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccccc1 ZINC000030756412 556504841 /nfs/dbraw/zinc/50/48/41/556504841.db2.gz OZYJRZAPMZCXQM-JOCHJYFZSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccccc1 ZINC000030756415 556504944 /nfs/dbraw/zinc/50/49/44/556504944.db2.gz OZYJRZAPMZCXQM-QFIPXVFZSA-N -1 1 436.577 5.294 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030848164 556507901 /nfs/dbraw/zinc/50/79/01/556507901.db2.gz LMCUOOITBUPRAJ-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 ZINC000030850052 556508463 /nfs/dbraw/zinc/50/84/63/556508463.db2.gz WZKMUEYXKPMFCR-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1c(Cl)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000030851685 556509023 /nfs/dbraw/zinc/50/90/23/556509023.db2.gz DMSLWMBINMCDAS-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030868159 556512865 /nfs/dbraw/zinc/51/28/65/556512865.db2.gz VJNXDSAEBYMOML-UHFFFAOYSA-N -1 1 442.968 5.572 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1C ZINC000013675759 556554191 /nfs/dbraw/zinc/55/41/91/556554191.db2.gz BGYXSHICSCWPOK-SFHVURJKSA-N -1 1 434.561 5.004 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C ZINC000013682053 556557459 /nfs/dbraw/zinc/55/74/59/556557459.db2.gz PTVVHTOELRAGHJ-UHFFFAOYSA-N -1 1 444.556 5.439 40 0 IKABMM Cc1ccc(SCC(=O)c2cc(Br)c(C)c(Br)c2[O-])cc1 ZINC000016310944 556599680 /nfs/dbraw/zinc/59/96/80/556599680.db2.gz RKDRJLRIEIWNGR-UHFFFAOYSA-N -1 1 430.161 5.509 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1C ZINC000038757303 556618621 /nfs/dbraw/zinc/61/86/21/556618621.db2.gz LYSKPXKNUWHMTJ-XMMPIXPASA-N -1 1 448.588 5.220 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000038757323 556618682 /nfs/dbraw/zinc/61/86/82/556618682.db2.gz OOEFOXGXICCJNE-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)c(Cl)c2)cc1 ZINC000044838711 556668102 /nfs/dbraw/zinc/66/81/02/556668102.db2.gz GVGLXEZFLGYXFA-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2C)cc1 ZINC000044842811 556668873 /nfs/dbraw/zinc/66/88/73/556668873.db2.gz LTBAFEXJCMXFIA-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000044848616 556670142 /nfs/dbraw/zinc/67/01/42/556670142.db2.gz JULYMEHGKFCSOB-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000044848909 556670174 /nfs/dbraw/zinc/67/01/74/556670174.db2.gz XJOBIXQACBCYMM-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM CCOc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044900188 556677136 /nfs/dbraw/zinc/67/71/36/556677136.db2.gz WVNDJSTXFCCBPX-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)c1 ZINC000044947636 556683839 /nfs/dbraw/zinc/68/38/39/556683839.db2.gz STXYJWWGPNCLFT-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccccc1 ZINC000408994318 556709483 /nfs/dbraw/zinc/70/94/83/556709483.db2.gz YKZRQDYHNKBCII-UHFFFAOYSA-N -1 1 446.572 6.311 40 0 IKABMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)N1 ZINC000409047144 556752366 /nfs/dbraw/zinc/75/23/66/556752366.db2.gz MYPSKXCJVJWXLK-MKMNVTDBSA-N -1 1 432.090 5.060 40 0 IKABMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408907758 556885078 /nfs/dbraw/zinc/88/50/78/556885078.db2.gz QUQMUAAJRFGNQT-NTUHNPAUSA-N -1 1 447.343 5.446 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000408912827 556886541 /nfs/dbraw/zinc/88/65/41/556886541.db2.gz RPFJSBFDBVTHSD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM COc1cc(OC)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1Br ZINC000408993578 556912726 /nfs/dbraw/zinc/91/27/26/556912726.db2.gz WNKCKTQQHSRQGI-UHFFFAOYSA-N -1 1 435.343 5.113 40 0 IKABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 ZINC000072375850 556953229 /nfs/dbraw/zinc/95/32/29/556953229.db2.gz QTHWSBBPCQBNBO-LJQANCHMSA-N -1 1 435.597 5.189 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl ZINC000020029822 556968429 /nfs/dbraw/zinc/96/84/29/556968429.db2.gz SKELBEMOGKSOHV-UHFFFAOYSA-N -1 1 433.757 5.187 40 0 IKABMM Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020041377 556971910 /nfs/dbraw/zinc/97/19/10/556971910.db2.gz YCRDMOJPIUPPDG-DEOSSOPVSA-N -1 1 436.577 5.313 40 0 IKABMM O=C(Nc1ccc2ccccc2c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020042993 556972452 /nfs/dbraw/zinc/97/24/52/556972452.db2.gz XZJZBLMJMBBTNC-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000020110304 556985074 /nfs/dbraw/zinc/98/50/74/556985074.db2.gz GPSLHQSRIJNKHV-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000020110693 556985310 /nfs/dbraw/zinc/98/53/10/556985310.db2.gz AUKBNGAPKKUQGJ-QHCPKHFHSA-N -1 1 436.577 5.313 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1Cl ZINC000409173623 556988238 /nfs/dbraw/zinc/98/82/38/556988238.db2.gz MSUSGNWPTJTDAC-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000409174436 556988962 /nfs/dbraw/zinc/98/89/62/556988962.db2.gz TZZPVGPCTJHSAA-OVCLIPMQSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])n1 ZINC000409192254 556992145 /nfs/dbraw/zinc/99/21/45/556992145.db2.gz VZXJUYFQRWGXIP-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])n[nH]1 ZINC000409192254 556992147 /nfs/dbraw/zinc/99/21/47/556992147.db2.gz VZXJUYFQRWGXIP-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000409192290 557010325 /nfs/dbraw/zinc/01/03/25/557010325.db2.gz WFUUCCCPWFDNGY-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])n[nH]1 ZINC000409192290 557010328 /nfs/dbraw/zinc/01/03/28/557010328.db2.gz WFUUCCCPWFDNGY-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nnc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])[nH]1 ZINC000409196373 557010811 /nfs/dbraw/zinc/01/08/11/557010811.db2.gz ZTKXZYROGDPFOV-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])n[nH]1 ZINC000409196373 557010814 /nfs/dbraw/zinc/01/08/14/557010814.db2.gz ZTKXZYROGDPFOV-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020483505 557017211 /nfs/dbraw/zinc/01/72/11/557017211.db2.gz DLCDMXUOMYGJGI-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408548489 557034900 /nfs/dbraw/zinc/03/49/00/557034900.db2.gz SQMGRFSTBBREHT-UHFFFAOYSA-N -1 1 436.320 5.438 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1 ZINC000408546119 557035656 /nfs/dbraw/zinc/03/56/56/557035656.db2.gz QUJXWVMLUBJZTO-UHFFFAOYSA-N -1 1 436.577 5.590 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1 ZINC000408546604 557035739 /nfs/dbraw/zinc/03/57/39/557035739.db2.gz FQHKZVBVZCTSFB-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 ZINC000408578592 557044260 /nfs/dbraw/zinc/04/42/60/557044260.db2.gz ABAIJYKJIKXYOD-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1C ZINC000408579187 557044504 /nfs/dbraw/zinc/04/45/04/557044504.db2.gz DIUREQVAKBVXSB-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 ZINC000408582477 557044799 /nfs/dbraw/zinc/04/47/99/557044799.db2.gz CQDPYWUKCHAYIB-UHFFFAOYSA-N -1 1 442.368 5.202 40 0 IKABMM CCOc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1[O-] ZINC000409267332 557081829 /nfs/dbraw/zinc/08/18/29/557081829.db2.gz SZQUPTFXRWASNC-UHFFFAOYSA-N -1 1 429.133 5.593 40 0 IKABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000408593401 557055395 /nfs/dbraw/zinc/05/53/95/557055395.db2.gz MPOMKOHIWCDHST-UHFFFAOYSA-N -1 1 437.521 5.184 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1 ZINC000408602227 557068898 /nfs/dbraw/zinc/06/88/98/557068898.db2.gz CTPRMLLFKJRDJK-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408607455 557069857 /nfs/dbraw/zinc/06/98/57/557069857.db2.gz MKHGIQKXAQKRKE-UHFFFAOYSA-N -1 1 440.908 5.448 40 0 IKABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408622265 557075899 /nfs/dbraw/zinc/07/58/99/557075899.db2.gz NAALQCCURGSATE-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 ZINC000408622380 557076347 /nfs/dbraw/zinc/07/63/47/557076347.db2.gz NLTHXBDLRNFRAY-UHFFFAOYSA-N -1 1 428.598 5.255 40 0 IKABMM O=C([O-])/C(=C/c1cc(Cl)cc(Cl)c1O)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000408634817 557076951 /nfs/dbraw/zinc/07/69/51/557076951.db2.gz VCPROMJLTWVUFS-MLPAPPSSSA-N -1 1 443.695 5.620 40 0 IKABMM O=C([O-])/C(=C/c1cc(Cl)cc(Br)c1O)Sc1nc2ccccc2o1 ZINC000408633002 557081774 /nfs/dbraw/zinc/08/17/74/557081774.db2.gz ITQQGYLEFDXKNG-MLPAPPSSSA-N -1 1 426.675 5.167 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000409356674 557084179 /nfs/dbraw/zinc/08/41/79/557084179.db2.gz HARABWYDTCAZQR-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1C ZINC000409382334 557091143 /nfs/dbraw/zinc/09/11/43/557091143.db2.gz RXQLEMRFMIWXTK-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)cc1 ZINC000409380494 557095024 /nfs/dbraw/zinc/09/50/24/557095024.db2.gz FQGOJJUCDNFOGF-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)cc1C ZINC000409409854 557102987 /nfs/dbraw/zinc/10/29/87/557102987.db2.gz JNLUAYLGOXQITE-UHFFFAOYSA-N -1 1 426.582 5.033 40 0 IKABMM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408694419 557105602 /nfs/dbraw/zinc/10/56/02/557105602.db2.gz GKYZDMIECIOHMS-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408695147 557106185 /nfs/dbraw/zinc/10/61/85/557106185.db2.gz QTFOIAJKQGHUEK-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000409412396 557108822 /nfs/dbraw/zinc/10/88/22/557108822.db2.gz VZZIXHHMNXUDJE-UHFFFAOYSA-N -1 1 436.320 5.438 40 0 IKABMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409416081 557110663 /nfs/dbraw/zinc/11/06/63/557110663.db2.gz XWJHKUAYDFFLRM-UHFFFAOYSA-N -1 1 431.311 5.333 40 0 IKABMM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000102767583 557132710 /nfs/dbraw/zinc/13/27/10/557132710.db2.gz UNPWUJZCWFCHDA-RJGXRXQPSA-N -1 1 432.907 5.008 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000409354095 557136559 /nfs/dbraw/zinc/13/65/59/557136559.db2.gz YBLFCEZGMZFNMQ-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c(C)c1 ZINC000216240507 557141032 /nfs/dbraw/zinc/14/10/32/557141032.db2.gz PQWDBOZCKNYRKG-DEOSSOPVSA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)cc1 ZINC000216302698 557142639 /nfs/dbraw/zinc/14/26/39/557142639.db2.gz 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ZINC000008810300 557172159 /nfs/dbraw/zinc/17/21/59/557172159.db2.gz PYTSBVYCXIXVID-UHFFFAOYSA-N -1 1 446.931 5.457 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c(C)c1 ZINC000008810363 557172420 /nfs/dbraw/zinc/17/24/20/557172420.db2.gz CDIJVVMFWUUDLG-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810366 557172464 /nfs/dbraw/zinc/17/24/64/557172464.db2.gz NJUTVAFTDNVSQA-UHFFFAOYSA-N -1 1 446.931 5.403 40 0 IKABMM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 ZINC000008810370 557172519 /nfs/dbraw/zinc/17/25/19/557172519.db2.gz YRZHPGPDXMLTQD-UHFFFAOYSA-N -1 1 432.904 5.095 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F)c1ccccc1Cl ZINC000008810378 557172532 /nfs/dbraw/zinc/17/25/32/557172532.db2.gz IOQNCGMIBMPAAL-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 ZINC000008810371 557172548 /nfs/dbraw/zinc/17/25/48/557172548.db2.gz 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CCCc1n[n-]c(=S)n1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000022109946 557178348 /nfs/dbraw/zinc/17/83/48/557178348.db2.gz GYIXYMYDBDYJBL-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCc1ccccc1F ZINC000022110489 557178752 /nfs/dbraw/zinc/17/87/52/557178752.db2.gz IYMAFRVTEPMCOX-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022110516 557178780 /nfs/dbraw/zinc/17/87/80/557178780.db2.gz RCZDIPQNUNYGGP-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000022110526 557178856 /nfs/dbraw/zinc/17/88/56/557178856.db2.gz KJPUEMJBVHJTIC-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1cccs1 ZINC000022111313 557179099 /nfs/dbraw/zinc/17/90/99/557179099.db2.gz NNDXMYHWBVVQPP-UHFFFAOYSA-N -1 1 438.578 5.391 40 0 IKABMM CCn1c2ccccc2c2cc(CNn3c(=S)[n-]nc3-c3ccccc3OC)ccc21 ZINC000022111289 557179138 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ZUDHADMVYFZSCN-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000224033826 557548592 /nfs/dbraw/zinc/54/85/92/557548592.db2.gz WKOMZSCJHOIRLO-OAQYLSRUSA-N -1 1 428.941 5.022 40 0 IKABMM CC(C)Oc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224034274 557548806 /nfs/dbraw/zinc/54/88/06/557548806.db2.gz UNFVCYFBVBKTNY-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224034805 557548829 /nfs/dbraw/zinc/54/88/29/557548829.db2.gz PURMAJPVFFQXTA-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224035286 557549131 /nfs/dbraw/zinc/54/91/31/557549131.db2.gz LSTWKNWGIPCGOX-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224052891 557552203 /nfs/dbraw/zinc/55/22/03/557552203.db2.gz YKNAJBRSEIUWBU-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM CSc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224052586 557552228 /nfs/dbraw/zinc/55/22/28/557552228.db2.gz QYEYENLSMYVFMO-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224054283 557552409 /nfs/dbraw/zinc/55/24/09/557552409.db2.gz QMUIGXBQRXEDEO-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM CCOc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224054033 557552497 /nfs/dbraw/zinc/55/24/97/557552497.db2.gz LXSAJGMVQRCIOQ-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM C[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 ZINC000224065062 557554112 /nfs/dbraw/zinc/55/41/12/557554112.db2.gz AOORMQBHXWTVHD-AWEZNQCLSA-N -1 1 449.359 5.285 40 0 IKABMM Cc1ccc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000224065807 557554165 /nfs/dbraw/zinc/55/41/65/557554165.db2.gz ODNBOJUYNAQHIL-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1C ZINC000224066217 557554418 /nfs/dbraw/zinc/55/44/18/557554418.db2.gz CLJIZOTXLIKJBL-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM O=C(Nc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067205 557554733 /nfs/dbraw/zinc/55/47/33/557554733.db2.gz NIWKKBFUCZGFMT-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000224070232 557554952 /nfs/dbraw/zinc/55/49/52/557554952.db2.gz RAEBTJXRIFZUEJ-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000224070151 557554970 /nfs/dbraw/zinc/55/49/70/557554970.db2.gz XKIGWVGUVOVUOQ-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000224069908 557554987 /nfs/dbraw/zinc/55/49/87/557554987.db2.gz XDSJXWPQRKRQNW-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc3ccccc32)c1 ZINC000224077546 557556551 /nfs/dbraw/zinc/55/65/51/557556551.db2.gz DFBBAVZSCNOZAY-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CC(C)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000224083653 557558165 /nfs/dbraw/zinc/55/81/65/557558165.db2.gz WVMNGLFASNLMSB-UHFFFAOYSA-N -1 1 442.968 5.194 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(C)c3)c(Cl)c2)cc1 ZINC000224093660 557559853 /nfs/dbraw/zinc/55/98/53/557559853.db2.gz KDZFALVVWNPOND-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CN(Cc1cccc(Cl)c1)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224103662 557561563 /nfs/dbraw/zinc/56/15/63/557561563.db2.gz STDXNGQDEZBNPJ-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000224525796 557616632 /nfs/dbraw/zinc/61/66/32/557616632.db2.gz YNQBTKDWZKAVTD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000224533288 557617488 /nfs/dbraw/zinc/61/74/88/557617488.db2.gz BOXHCFZQANTNSK-LICLKQGHSA-N -1 1 448.588 5.745 40 0 IKABMM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000224553386 557621844 /nfs/dbraw/zinc/62/18/44/557621844.db2.gz ATGRQWLNZNWJKX-UHFFFAOYSA-N -1 1 438.549 5.145 40 0 IKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000224565465 557624157 /nfs/dbraw/zinc/62/41/57/557624157.db2.gz ABLOSIBTCCLUTE-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)cc1 ZINC000224565750 557624434 /nfs/dbraw/zinc/62/44/34/557624434.db2.gz JYFNSURCPVVUKX-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000224953897 557670715 /nfs/dbraw/zinc/67/07/15/557670715.db2.gz RCFLPONBAVPEKS-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000225051945 557683135 /nfs/dbraw/zinc/68/31/35/557683135.db2.gz ZBZRMOZMAFRBLT-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(C)C ZINC000225214774 557701171 /nfs/dbraw/zinc/70/11/71/557701171.db2.gz UENXSPHLKBRGIX-UHFFFAOYSA-N -1 1 427.591 6.079 40 0 IKABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225595561 557749441 /nfs/dbraw/zinc/74/94/41/557749441.db2.gz MRAARSIQOMPETG-UHFFFAOYSA-N -1 1 440.540 5.485 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F ZINC000225605633 557750424 /nfs/dbraw/zinc/75/04/24/557750424.db2.gz RSYAYMVDFFAIAB-UHFFFAOYSA-N -1 1 440.540 5.485 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1C ZINC000223181772 568626645 /nfs/dbraw/zinc/62/66/45/568626645.db2.gz MLXJDUJNCRSNKO-IBGZPJMESA-N -1 1 448.588 5.084 40 0 IKABMM O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000026780018 568738915 /nfs/dbraw/zinc/73/89/15/568738915.db2.gz MOHCUNAQDUNQBS-UHFFFAOYSA-N -1 1 436.320 5.438 40 0 IKABMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCc1ccc(Br)cc1 ZINC000026464949 568862850 /nfs/dbraw/zinc/86/28/50/568862850.db2.gz HQDRUITXZGLSDI-SXGWCWSVSA-N -1 1 436.352 5.366 40 0 IKABMM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904446 569220236 /nfs/dbraw/zinc/22/02/36/569220236.db2.gz NMMFTEUTDIFSJC-UHFFFAOYSA-N -1 1 446.981 5.013 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 ZINC000010314546 569222517 /nfs/dbraw/zinc/22/25/17/569222517.db2.gz LCJVHGQDKPWDSF-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1 ZINC000010314235 569222541 /nfs/dbraw/zinc/22/25/41/569222541.db2.gz WNTPAFQVKOTFSD-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000010314487 569222583 /nfs/dbraw/zinc/22/25/83/569222583.db2.gz YQVIZMNSCIWNBA-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)cc1 ZINC000010315322 569222726 /nfs/dbraw/zinc/22/27/26/569222726.db2.gz BQCUHVQTQFOIEO-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000010330065 569223263 /nfs/dbraw/zinc/22/32/63/569223263.db2.gz FHPDANDHBYNHFL-UHFFFAOYSA-N -1 1 444.556 5.520 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl ZINC000010330617 569223267 /nfs/dbraw/zinc/22/32/67/569223267.db2.gz JQOZSOVMOZKSFM-UHFFFAOYSA-N -1 1 449.359 5.284 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000010337900 569223528 /nfs/dbraw/zinc/22/35/28/569223528.db2.gz VPTPQRYPWUKWEW-UHFFFAOYSA-N -1 1 449.359 5.284 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1 ZINC000010357766 569223608 /nfs/dbraw/zinc/22/36/08/569223608.db2.gz DVMRSBHWARHVOW-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000010359057 569223769 /nfs/dbraw/zinc/22/37/69/569223769.db2.gz RNDXCGILFRUPDC-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 ZINC000010362028 569223782 /nfs/dbraw/zinc/22/37/82/569223782.db2.gz OROIEFZMOFLYGF-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000010364676 569223812 /nfs/dbraw/zinc/22/38/12/569223812.db2.gz WZMLDRYFWGNATG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010365394 569223819 /nfs/dbraw/zinc/22/38/19/569223819.db2.gz RKTCRWLSWKWZNL-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C)cc1 ZINC000010364379 569223887 /nfs/dbraw/zinc/22/38/87/569223887.db2.gz VPCBOAGJZCGKJD-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1 ZINC000010362758 569223899 /nfs/dbraw/zinc/22/38/99/569223899.db2.gz TZWHXJMKSMPWTN-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000010366595 569223938 /nfs/dbraw/zinc/22/39/38/569223938.db2.gz PNIHGOYUGATUIC-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2C)cc1 ZINC000010369699 569224121 /nfs/dbraw/zinc/22/41/21/569224121.db2.gz SFHYVWHEMNVZLT-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 ZINC000010369784 569224156 /nfs/dbraw/zinc/22/41/56/569224156.db2.gz QXJPEXSZLVTBJM-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000020571386 569241516 /nfs/dbraw/zinc/24/15/16/569241516.db2.gz FJSCMHHHKVQXFE-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206926 569242616 /nfs/dbraw/zinc/24/26/16/569242616.db2.gz ZKMVDEVNVRALBO-HNNXBMFYSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 ZINC000035104984 569248206 /nfs/dbraw/zinc/24/82/06/569248206.db2.gz FPHZAOAQYNEJGS-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM O=S(=O)([N-]c1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1 ZINC000059417577 569249726 /nfs/dbraw/zinc/24/97/26/569249726.db2.gz AVYSLKQUNSIYRV-UHFFFAOYSA-N -1 1 447.994 5.438 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000107629805 569250734 /nfs/dbraw/zinc/25/07/34/569250734.db2.gz TUDXHUWFCWMGGT-UHFFFAOYSA-N -1 1 446.931 5.160 40 0 IKABMM O=C([O-])c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 ZINC000257249554 569277138 /nfs/dbraw/zinc/27/71/38/569277138.db2.gz JIWRIGGUSJMXDK-RUZDIDTESA-N -1 1 434.967 5.946 40 0 IKABMM O=C([O-])c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 ZINC000257249555 569277168 /nfs/dbraw/zinc/27/71/68/569277168.db2.gz JIWRIGGUSJMXDK-VWLOTQADSA-N -1 1 434.967 5.946 40 0 IKABMM O=C([O-])c1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 ZINC000257294046 569278205 /nfs/dbraw/zinc/27/82/05/569278205.db2.gz QSFKJTMKQIFPIK-XMMPIXPASA-N -1 1 438.930 5.695 40 0 IKABMM O=C([O-])c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 ZINC000257294046 569278206 /nfs/dbraw/zinc/27/82/06/569278206.db2.gz QSFKJTMKQIFPIK-XMMPIXPASA-N -1 1 438.930 5.695 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000301315015 569283772 /nfs/dbraw/zinc/28/37/72/569283772.db2.gz MLSZUGFSRHUHIP-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM COc1ccc(-c2nc(-c3ccccc3)nc(C(F)(F)F)c2-c2cscn2)c([O-])c1 ZINC000008873450 569291715 /nfs/dbraw/zinc/29/17/15/569291715.db2.gz IGWONFGIJWSENA-UHFFFAOYSA-N -1 1 429.423 5.667 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1 ZINC000013673889 132352999 /nfs/dbraw/zinc/35/29/99/132352999.db2.gz RDEVFGMNKAKGCQ-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000020458932 521777247 /nfs/dbraw/zinc/77/72/47/521777247.db2.gz FROQQGYGVUFFAP-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM CCc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020456033 521904845 /nfs/dbraw/zinc/90/48/45/521904845.db2.gz YUIKSRKRAKFWLV-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccccc1 ZINC000020483029 522532293 /nfs/dbraw/zinc/53/22/93/522532293.db2.gz ZKHMRXSEQKOGJS-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccccc1 ZINC000022516470 522783390 /nfs/dbraw/zinc/78/33/90/522783390.db2.gz HBZAZCHCSICHRK-JOCHJYFZSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1 ZINC000020490663 524438578 /nfs/dbraw/zinc/43/85/78/524438578.db2.gz WKXQOTHHEKKYKG-DEOSSOPVSA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)cc1C ZINC000020459613 525295767 /nfs/dbraw/zinc/29/57/67/525295767.db2.gz YQJSDUDCYRIBDL-GOSISDBHSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2)cc1 ZINC000020571380 525599429 /nfs/dbraw/zinc/59/94/29/525599429.db2.gz LWPUKGGVMNZKBE-UHFFFAOYSA-N -1 1 442.540 5.300 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000020453322 525601468 /nfs/dbraw/zinc/60/14/68/525601468.db2.gz FFTODNXVJWGITN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000020452186 525604327 /nfs/dbraw/zinc/60/43/27/525604327.db2.gz PHZVNOHKQSUJEO-UHFFFAOYSA-N -1 1 432.973 5.070 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022529183 525717303 /nfs/dbraw/zinc/71/73/03/525717303.db2.gz LBHFKJGABQGOPS-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020453007 526197463 /nfs/dbraw/zinc/19/74/63/526197463.db2.gz AKNPNBSJNJFZCG-DEOSSOPVSA-N -1 1 436.577 5.313 40 0 IKABMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022509490 527193152 /nfs/dbraw/zinc/19/31/52/527193152.db2.gz VCMZCPLLXNAMMQ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM O=C(Nc1ccc(Br)cc1)c1c(=O)oc2cc([O-])ccc2c1-c1ccccc1 ZINC000001638615 555707684 /nfs/dbraw/zinc/70/76/84/555707684.db2.gz KIZWXLXXALRDDF-UHFFFAOYSA-N -1 1 436.261 5.180 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3[O-])nc2c1 ZINC000002594203 555789456 /nfs/dbraw/zinc/78/94/56/555789456.db2.gz AYLQLZYDTSZSNZ-UHFFFAOYSA-N -1 1 445.544 5.506 40 0 IKABMM Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408580733 555933230 /nfs/dbraw/zinc/93/32/30/555933230.db2.gz RLJTZOBCHVBUQR-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C([O-])/C(=C/c1cc(Br)cc(Cl)c1O)Sc1nc2ccccc2o1 ZINC000408632050 556003953 /nfs/dbraw/zinc/00/39/53/556003953.db2.gz CVSFCVFUDJSIIC-MLPAPPSSSA-N -1 1 426.675 5.167 40 0 IKABMM O=C([O-])C(=Cc1ccc(Br)s1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634447 556015001 /nfs/dbraw/zinc/01/50/01/556015001.db2.gz RJOQJCAIWIKPNT-XFFZJAGNSA-N -1 1 442.747 5.167 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1C ZINC000035363021 556086253 /nfs/dbraw/zinc/08/62/53/556086253.db2.gz ZKZUPUCBZYNMCC-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C ZINC000010009810 556321721 /nfs/dbraw/zinc/32/17/21/556321721.db2.gz IEXIGGZFWVWAMT-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010327827 556331870 /nfs/dbraw/zinc/33/18/70/556331870.db2.gz SALCQUMZLHHDDQ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000408912728 556497778 /nfs/dbraw/zinc/49/77/78/556497778.db2.gz RCZMISKFDZQVPK-UHFFFAOYSA-N -1 1 436.577 5.654 40 0 IKABMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030847906 556507838 /nfs/dbraw/zinc/50/78/38/556507838.db2.gz QELBBSGXEWJLBI-GOSISDBHSA-N -1 1 438.549 5.017 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000030847809 556507893 /nfs/dbraw/zinc/50/78/93/556507893.db2.gz OPJMJKAATKPNQH-HNNXBMFYSA-N -1 1 446.931 5.079 40 0 IKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 ZINC000030854409 556509628 /nfs/dbraw/zinc/50/96/28/556509628.db2.gz RPHNVWQITAZSEW-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2C)cc1 ZINC000030853475 556509642 /nfs/dbraw/zinc/50/96/42/556509642.db2.gz PJSMLHFXZGGBAK-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408921457 556513105 /nfs/dbraw/zinc/51/31/05/556513105.db2.gz IAAZDFNUQGCTQI-LHHJGKSTSA-N -1 1 447.343 5.446 40 0 IKABMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408923336 556520417 /nfs/dbraw/zinc/52/04/17/556520417.db2.gz WAQUSOTWIORJFO-OAHLLOKOSA-N -1 1 446.981 5.260 40 0 IKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC[C@H](C)COc1ccccc1 ZINC000032109509 556530099 /nfs/dbraw/zinc/53/00/99/556530099.db2.gz HQRRYVRPFWBUDR-GEYIUBJWSA-N -1 1 429.563 5.508 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1 ZINC000013670240 556550956 /nfs/dbraw/zinc/55/09/56/556550956.db2.gz ZGCOERUNHVLMSY-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3[O-])oc2cc1C ZINC000016284205 556596937 /nfs/dbraw/zinc/59/69/37/556596937.db2.gz HKBJFMBXGHNWQC-UHFFFAOYSA-N -1 1 435.480 5.083 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000038754939 556617312 /nfs/dbraw/zinc/61/73/12/556617312.db2.gz ISDUKMCVLKZWJN-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000038755172 556617492 /nfs/dbraw/zinc/61/74/92/556617492.db2.gz DPONEJHGORCLHV-HNNXBMFYSA-N -1 1 446.931 5.079 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccccc1 ZINC000038755909 556617828 /nfs/dbraw/zinc/61/78/28/556617828.db2.gz HJLYMTIXRGYAFC-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccccc1 ZINC000038755911 556617840 /nfs/dbraw/zinc/61/78/40/556617840.db2.gz HJLYMTIXRGYAFC-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 ZINC000038756724 556618274 /nfs/dbraw/zinc/61/82/74/556618274.db2.gz LCZOCMVTIRKWTK-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 ZINC000038756722 556618298 /nfs/dbraw/zinc/61/82/98/556618298.db2.gz LCZOCMVTIRKWTK-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM O=C(Nc1ccc(F)c(Cl)c1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038772090 556619278 /nfs/dbraw/zinc/61/92/78/556619278.db2.gz WZSMYSMNBCDTFQ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CCN(CC)c1ccc(Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)cc1 ZINC000016678529 556623248 /nfs/dbraw/zinc/62/32/48/556623248.db2.gz DGRBUQQJIBDYOE-UHFFFAOYSA-N -1 1 438.786 6.284 40 0 IKABMM Cc1cc(C)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000044849152 556670161 /nfs/dbraw/zinc/67/01/61/556670161.db2.gz VYBFFGLHLZVRGW-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2C)cc1 ZINC000044883331 556674424 /nfs/dbraw/zinc/67/44/24/556674424.db2.gz PTFLPJOSVGMDPT-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)c1 ZINC000044947640 556683847 /nfs/dbraw/zinc/68/38/47/556683847.db2.gz STXYJWWGPNCLFT-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000044950035 556684330 /nfs/dbraw/zinc/68/43/30/556684330.db2.gz FYRFETRTOPLCFI-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000013648377 556707398 /nfs/dbraw/zinc/70/73/98/556707398.db2.gz VCKMBHWNGBOGEH-GSDHBNRESA-N -1 1 434.495 5.199 40 0 IKABMM Cc1cccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)cc2)c1 ZINC000408991926 556708703 /nfs/dbraw/zinc/70/87/03/556708703.db2.gz RMQLCCQIMXIGGR-UHFFFAOYSA-N -1 1 430.573 6.610 40 0 IKABMM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Br)c1[O-] ZINC000408993922 556709503 /nfs/dbraw/zinc/70/95/03/556709503.db2.gz XOAJOVBFYYUNST-UHFFFAOYSA-N -1 1 435.343 5.200 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 ZINC000408915254 556890063 /nfs/dbraw/zinc/89/00/63/556890063.db2.gz PSLXUQOSFRIGMW-NTEUORMPSA-N -1 1 440.952 5.410 40 0 IKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1cccc(C)c1 ZINC000408987122 556909807 /nfs/dbraw/zinc/90/98/07/556909807.db2.gz DNUUVNGCVSQISG-UHFFFAOYSA-N -1 1 446.572 6.229 40 0 IKABMM CCOC(=O)Oc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1OC ZINC000409001541 556914599 /nfs/dbraw/zinc/91/45/99/556914599.db2.gz IZQWDBGRTRHTPN-UHFFFAOYSA-N -1 1 428.510 5.267 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1 ZINC000019933624 556949925 /nfs/dbraw/zinc/94/99/25/556949925.db2.gz ZZLFHKTUKATJPB-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 ZINC000072375638 556952159 /nfs/dbraw/zinc/95/21/59/556952159.db2.gz ZFFVSDNUTRVJHQ-GOSISDBHSA-N -1 1 441.988 5.189 40 0 IKABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 ZINC000072375637 556952229 /nfs/dbraw/zinc/95/22/29/556952229.db2.gz ZFFVSDNUTRVJHQ-SFHVURJKSA-N -1 1 441.988 5.189 40 0 IKABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 ZINC000072375849 556953239 /nfs/dbraw/zinc/95/32/39/556953239.db2.gz QTHWSBBPCQBNBO-IBGZPJMESA-N -1 1 435.597 5.189 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCCC3)c(Cl)c2)cc1 ZINC000020048916 556974420 /nfs/dbraw/zinc/97/44/20/556974420.db2.gz MPOSQKFBEMEPIU-UHFFFAOYSA-N -1 1 434.989 5.292 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1N1CCCC1=O ZINC000020104511 556981364 /nfs/dbraw/zinc/98/13/64/556981364.db2.gz NTUHMANRQNIGKJ-UHFFFAOYSA-N -1 1 438.574 5.074 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000409178145 556986911 /nfs/dbraw/zinc/98/69/11/556986911.db2.gz GUONEMHBKBDEFN-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000409178566 556987086 /nfs/dbraw/zinc/98/70/86/556987086.db2.gz LHZOANFPPUBOLX-GOSISDBHSA-N -1 1 440.590 5.224 40 0 IKABMM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000409174382 556988621 /nfs/dbraw/zinc/98/86/21/556988621.db2.gz RSHDFUMIGNWVSO-MDWZMJQESA-N -1 1 447.343 5.446 40 0 IKABMM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000409178917 556997507 /nfs/dbraw/zinc/99/75/07/556997507.db2.gz KHUDKJPTAAPJBU-AWNIVKPZSA-N -1 1 447.343 5.446 40 0 IKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000409178992 556997573 /nfs/dbraw/zinc/99/75/73/556997573.db2.gz OPVOBIQNIBDERU-SFHVURJKSA-N -1 1 440.590 5.224 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)cc1 ZINC000408544362 557034553 /nfs/dbraw/zinc/03/45/53/557034553.db2.gz HEONDPXJOISQEW-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408579863 557044548 /nfs/dbraw/zinc/04/45/48/557044548.db2.gz KSXLJXQDBFDXLL-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000408597943 557057095 /nfs/dbraw/zinc/05/70/95/557057095.db2.gz WVWBQKMMXOCNJM-UHFFFAOYSA-N -1 1 429.339 5.378 40 0 IKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409254867 557081229 /nfs/dbraw/zinc/08/12/29/557081229.db2.gz JJESIJMDHREELE-UHFFFAOYSA-N -1 1 430.504 5.133 40 0 IKABMM Cc1ccc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)o1 ZINC000409369779 557089028 /nfs/dbraw/zinc/08/90/28/557089028.db2.gz XEEJWNINWVUAAR-UHFFFAOYSA-N -1 1 440.503 5.576 40 0 IKABMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000409381829 557091101 /nfs/dbraw/zinc/09/11/01/557091101.db2.gz NYZJXSHIGCBNHV-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1Cl 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438.455 5.171 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000022110378 557178187 /nfs/dbraw/zinc/17/81/87/557178187.db2.gz CVQQSJAVJYJRCU-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000022109862 557178210 /nfs/dbraw/zinc/17/82/10/557178210.db2.gz FPOKSAHYXPNXNV-UHFFFAOYSA-N -1 1 432.977 5.268 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000022109941 557178325 /nfs/dbraw/zinc/17/83/25/557178325.db2.gz ZSZWQFBUANCYQH-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccccc1OCc1ccc(F)cc1 ZINC000022110721 557178711 /nfs/dbraw/zinc/17/87/11/557178711.db2.gz XEWHEHIYIXFMSR-UHFFFAOYSA-N -1 1 436.512 5.078 40 0 IKABMM CCOc1cc(CNn2c(CC)n[n-]c2=S)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022110485 557178761 /nfs/dbraw/zinc/17/87/61/557178761.db2.gz NCNJHEMUZLOFAM-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccccc1OCc1ccccc1F ZINC000022110725 557178821 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ZINC000224083276 557558108 /nfs/dbraw/zinc/55/81/08/557558108.db2.gz USRCHVHUCWZKOS-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224084321 557558441 /nfs/dbraw/zinc/55/84/41/557558441.db2.gz HGFINQGFKQQMLZ-UHFFFAOYSA-N -1 1 442.540 5.300 40 0 IKABMM Cc1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088180 557559111 /nfs/dbraw/zinc/55/91/11/557559111.db2.gz AZUKWLQZGMNKFY-UHFFFAOYSA-N -1 1 436.577 5.023 40 0 IKABMM Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224090707 557559365 /nfs/dbraw/zinc/55/93/65/557559365.db2.gz JZUHEUTYWXCALH-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1cccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224091022 557559533 /nfs/dbraw/zinc/55/95/33/557559533.db2.gz APQASQFHKIGOSI-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CC(C)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000224092530 557559841 /nfs/dbraw/zinc/55/98/41/557559841.db2.gz YRPVVRTYSTYXIJ-UHFFFAOYSA-N -1 1 442.968 5.194 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cccc4ccccc43)c2)cc1 ZINC000224096248 557560214 /nfs/dbraw/zinc/56/02/14/557560214.db2.gz FXABKWPGSACAKA-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM Cc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224100333 557560924 /nfs/dbraw/zinc/56/09/24/557560924.db2.gz LBDLMBNUDUESER-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM CCCC[C@H](CC)CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224400416 557602101 /nfs/dbraw/zinc/60/21/01/557602101.db2.gz YPFADRVQSDCPBS-KRWDZBQOSA-N -1 1 437.005 5.395 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000224524898 557616407 /nfs/dbraw/zinc/61/64/07/557616407.db2.gz NFIOIXAKGRFQAP-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000224526429 557616661 /nfs/dbraw/zinc/61/66/61/557616661.db2.gz YJQNMBLQCPGIEG-UHFFFAOYSA-N -1 1 442.968 5.691 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1Cl ZINC000224531009 557617423 /nfs/dbraw/zinc/61/74/23/557617423.db2.gz HNPIZXOJXZVMQJ-UHFFFAOYSA-N -1 1 431.970 5.258 40 0 IKABMM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000224533216 557617459 /nfs/dbraw/zinc/61/74/59/557617459.db2.gz MGPDPYRNMFTKSQ-WOJGMQOQSA-N -1 1 434.561 5.437 40 0 IKABMM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000224533503 557617607 /nfs/dbraw/zinc/61/76/07/557617607.db2.gz IQEXFXKCHCUOFE-LZWSPWQCSA-N -1 1 447.343 5.446 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000224534292 557617611 /nfs/dbraw/zinc/61/76/11/557617611.db2.gz UJKNKFRTTNYXEA-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000224537133 557617961 /nfs/dbraw/zinc/61/79/61/557617961.db2.gz SOQICVFSBQMVEF-SFHVURJKSA-N -1 1 440.590 5.056 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000224537726 557618218 /nfs/dbraw/zinc/61/82/18/557618218.db2.gz VRSZGVGFVUKZQH-HKOYGPOVSA-N -1 1 444.512 5.260 40 0 IKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)cc1 ZINC000224541521 557618773 /nfs/dbraw/zinc/61/87/73/557618773.db2.gz PLHOYKIJQZMVCO-VGOFMYFVSA-N -1 1 440.952 5.410 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000224543134 557619157 /nfs/dbraw/zinc/61/91/57/557619157.db2.gz MRVNAJFMZNZNSY-UHFFFAOYSA-N -1 1 449.359 5.284 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)cc1C ZINC000224550355 557621143 /nfs/dbraw/zinc/62/11/43/557621143.db2.gz NIDXHKIMERLMIL-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000224553536 557621920 /nfs/dbraw/zinc/62/19/20/557621920.db2.gz APDXCCRBRHVRIO-UHFFFAOYSA-N -1 1 444.940 5.182 40 0 IKABMM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224554700 557622366 /nfs/dbraw/zinc/62/23/66/557622366.db2.gz VMCWDUJMCRGUAP-GOSISDBHSA-N -1 1 446.528 5.047 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCCCC1 ZINC000224556281 557622720 /nfs/dbraw/zinc/62/27/20/557622720.db2.gz LHSCNUMQAJZZKC-UHFFFAOYSA-N -1 1 426.460 5.025 40 0 IKABMM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000224560162 557623392 /nfs/dbraw/zinc/62/33/92/557623392.db2.gz KRBLEPJJJNGGFE-GOSISDBHSA-N -1 1 446.528 5.047 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000224564899 557624280 /nfs/dbraw/zinc/62/42/80/557624280.db2.gz YWVBPXMYPIJXJQ-UHFFFAOYSA-N -1 1 440.908 5.448 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206924 557647101 /nfs/dbraw/zinc/64/71/01/557647101.db2.gz ZKMVDEVNVRALBO-OAHLLOKOSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000224998221 557675644 /nfs/dbraw/zinc/67/56/44/557675644.db2.gz UFHVEGSWKGVVGI-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000225051195 557682940 /nfs/dbraw/zinc/68/29/40/557682940.db2.gz GTXAETGIBBPAHW-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000225051492 557682994 /nfs/dbraw/zinc/68/29/94/557682994.db2.gz ODNHUKLXJDTISN-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000225270300 557707517 /nfs/dbraw/zinc/70/75/17/557707517.db2.gz BNRJMSXZGCGQRO-UHFFFAOYSA-N -1 1 427.913 5.001 40 0 IKABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225595515 557749419 /nfs/dbraw/zinc/74/94/19/557749419.db2.gz KTMFGSYXUQKLNR-UHFFFAOYSA-N -1 1 425.525 5.463 40 0 IKABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000059167658 557817110 /nfs/dbraw/zinc/81/71/10/557817110.db2.gz PRKNZIQNKWPHHG-VIZOYTHASA-N -1 1 440.329 5.550 40 0 IKABMM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 ZINC000059961022 557828152 /nfs/dbraw/zinc/82/81/52/557828152.db2.gz SPXOLMPUDAPOSY-UHFFFAOYSA-N -1 1 446.410 5.718 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1C ZINC000223181830 568626608 /nfs/dbraw/zinc/62/66/08/568626608.db2.gz MLXJDUJNCRSNKO-LJQANCHMSA-N -1 1 448.588 5.084 40 0 IKABMM CC(C)(C)OC(=O)CC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000248165242 568811681 /nfs/dbraw/zinc/81/16/81/568811681.db2.gz NYRSZLHHHLKYST-XMMPIXPASA-N -1 1 445.559 5.143 40 0 IKABMM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SC(=O)c2ccccc2)cc1 ZINC000006150552 568846921 /nfs/dbraw/zinc/84/69/21/568846921.db2.gz ZHNODPTXIFRACF-UHFFFAOYSA-N -1 1 434.542 5.150 40 0 IKABMM COc1cc(S(=O)(=O)[N-]c2cc(-c3cn4ccc(C)cc4n3)ccc2C)c(C)cc1C ZINC000224137191 568906667 /nfs/dbraw/zinc/90/66/67/568906667.db2.gz HLQZECYPBJCLHN-UHFFFAOYSA-N -1 1 435.549 5.044 40 0 IKABMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OC[C@@H](C)COc1ccccc1 ZINC000026712822 568908532 /nfs/dbraw/zinc/90/85/32/568908532.db2.gz SKPPWZMHSUYYSZ-VQIMKDEXSA-N -1 1 449.981 5.772 40 0 IKABMM COc1ccc(-c2nnc([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)s2)cc1 ZINC000009062352 569219522 /nfs/dbraw/zinc/21/95/22/569219522.db2.gz JJSLSNGSBOAEMK-UHFFFAOYSA-N -1 1 436.345 5.988 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314794 569222525 /nfs/dbraw/zinc/22/25/25/569222525.db2.gz HVKIECMOJXKRNS-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2C)cc1 ZINC000010314417 569222533 /nfs/dbraw/zinc/22/25/33/569222533.db2.gz UYQAELMXZLXTBU-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 ZINC000010314874 569222735 /nfs/dbraw/zinc/22/27/35/569222735.db2.gz PSZGCSMNYYEBPR-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CSc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010327864 569223184 /nfs/dbraw/zinc/22/31/84/569223184.db2.gz LISRLKJNWBAOFY-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 ZINC000010333060 569223420 /nfs/dbraw/zinc/22/34/20/569223420.db2.gz BWOPHFPVXIQPJU-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010335737 569223540 /nfs/dbraw/zinc/22/35/40/569223540.db2.gz UIIRXEPVANZOHJ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000010337729 569223554 /nfs/dbraw/zinc/22/35/54/569223554.db2.gz DJXFRAOIYWULTR-UHFFFAOYSA-N -1 1 442.968 5.275 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 ZINC000010360541 569223694 /nfs/dbraw/zinc/22/36/94/569223694.db2.gz ZZZPBPBBMBAAAD-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010358510 569223741 /nfs/dbraw/zinc/22/37/41/569223741.db2.gz LSJIYZVAYPZQSD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000010364453 569223815 /nfs/dbraw/zinc/22/38/15/569223815.db2.gz HBZFZCRNQHBYKS-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010366771 569224025 /nfs/dbraw/zinc/22/40/25/569224025.db2.gz PCQAWOLMBOZLRZ-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010369619 569224096 /nfs/dbraw/zinc/22/40/96/569224096.db2.gz DDAHRLGPAWMDSJ-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118211 569242529 /nfs/dbraw/zinc/24/25/29/569242529.db2.gz LPZRLGAOENWWGM-UHFFFAOYSA-N -1 1 446.638 5.205 40 0 IKABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000028206878 569242653 /nfs/dbraw/zinc/24/26/53/569242653.db2.gz BDLDQNYZESTBMG-GOSISDBHSA-N -1 1 442.540 5.232 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206928 569242751 /nfs/dbraw/zinc/24/27/51/569242751.db2.gz XREYFOITZGSADG-MRXNPFEDSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028206939 569242759 /nfs/dbraw/zinc/24/27/59/569242759.db2.gz IEZKVPNQGLSJJY-MRXNPFEDSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 ZINC000033423782 569243973 /nfs/dbraw/zinc/24/39/73/569243973.db2.gz WRCQDPVSUPKEMV-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1C ZINC000033660502 569245523 /nfs/dbraw/zinc/24/55/23/569245523.db2.gz SIZMWGXXYJCEBO-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1C ZINC000107814320 569251369 /nfs/dbraw/zinc/25/13/69/569251369.db2.gz HGNYMIJZVROCPE-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM O=C([O-])c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 ZINC000257294045 569278197 /nfs/dbraw/zinc/27/81/97/569278197.db2.gz QSFKJTMKQIFPIK-DEOSSOPVSA-N -1 1 438.930 5.695 40 0 IKABMM O=C([O-])c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 ZINC000257294045 569278198 /nfs/dbraw/zinc/27/81/98/569278198.db2.gz QSFKJTMKQIFPIK-DEOSSOPVSA-N -1 1 438.930 5.695 40 0 IKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)NC(C)C)c3)ccc21 ZINC000408605068 193974107 /nfs/dbraw/zinc/97/41/07/193974107.db2.gz MMOQTWRKJCRODS-UHFFFAOYSA-N -1 1 449.576 5.062 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1C ZINC000013632603 132352188 /nfs/dbraw/zinc/35/21/88/132352188.db2.gz CBNLFSIDVMWVGX-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccccc1 ZINC000022516475 522531841 /nfs/dbraw/zinc/53/18/41/522531841.db2.gz HBZAZCHCSICHRK-QFIPXVFZSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C)cc1 ZINC000020487495 522536195 /nfs/dbraw/zinc/53/61/95/522536195.db2.gz RZFJRQLFSKUETF-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000020450386 524095577 /nfs/dbraw/zinc/09/55/77/524095577.db2.gz PZRCZRCGEYSMEQ-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM Cc1cc(Cl)ccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020454680 524901241 /nfs/dbraw/zinc/90/12/41/524901241.db2.gz OZLIJCYJBAPPEX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305641 525064461 /nfs/dbraw/zinc/06/44/61/525064461.db2.gz NDEUYVFHWXVUFX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C ZINC000013675252 525088892 /nfs/dbraw/zinc/08/88/92/525088892.db2.gz WVZYWSHOMANEKH-UHFFFAOYSA-N -1 1 433.982 5.750 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000022527195 525602625 /nfs/dbraw/zinc/60/26/25/525602625.db2.gz XHGQTYJKBARXTN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccccc3Cl)c2)cc1 ZINC000020460356 525602876 /nfs/dbraw/zinc/60/28/76/525602876.db2.gz WKDLNVNVISVXRR-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000020489746 525603228 /nfs/dbraw/zinc/60/32/28/525603228.db2.gz QNTJAVQRLJGYPY-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000020490066 525909721 /nfs/dbraw/zinc/90/97/21/525909721.db2.gz DXJPEVAPARSGKX-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000020488249 525910398 /nfs/dbraw/zinc/91/03/98/525910398.db2.gz AOUJAWCHNHKSLD-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000020454175 525911213 /nfs/dbraw/zinc/91/12/13/525911213.db2.gz NMDZTOZSZTULIA-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])n1 ZINC000012427671 527216070 /nfs/dbraw/zinc/21/60/70/527216070.db2.gz KSOLGZZIFUZUSV-UHFFFAOYSA-N -1 1 437.326 6.710 40 0 IKABMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 ZINC000020450678 527248123 /nfs/dbraw/zinc/24/81/23/527248123.db2.gz TYATYVYYPLIFPW-UHFFFAOYSA-N -1 1 427.831 5.952 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)C1CCCCC1 ZINC000021305879 527255495 /nfs/dbraw/zinc/25/54/95/527255495.db2.gz PDVBZTACGVFLET-UHFFFAOYSA-N -1 1 427.353 5.313 40 0 IKABMM CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2cc1[O-] ZINC000009035664 555507022 /nfs/dbraw/zinc/50/70/22/555507022.db2.gz LLBXASZKDNXRFG-UHFFFAOYSA-N -1 1 434.319 6.181 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1C ZINC000408610332 555980789 /nfs/dbraw/zinc/98/07/89/555980789.db2.gz SXVXPVDXZFFXHT-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904071 556315898 /nfs/dbraw/zinc/31/58/98/556315898.db2.gz JFFAZKAWIRBZCZ-UHFFFAOYSA-N -1 1 446.981 5.013 40 0 IKABMM CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000010112190 556325887 /nfs/dbraw/zinc/32/58/87/556325887.db2.gz UECDFVHLBZAUSB-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010330830 556332165 /nfs/dbraw/zinc/33/21/65/556332165.db2.gz DUTUVICIYZHQGP-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM O=S(=O)([N-]c1ccc2[nH]nc(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004352773 556408850 /nfs/dbraw/zinc/40/88/50/556408850.db2.gz GRGGGWAQBJFQCE-UHFFFAOYSA-N -1 1 443.756 5.055 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000408907199 556494495 /nfs/dbraw/zinc/49/44/95/556494495.db2.gz MJYBKJCWKJXTFF-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1C ZINC000030753715 556503839 /nfs/dbraw/zinc/50/38/39/556503839.db2.gz QRIGKTXOYSXGHV-DEOSSOPVSA-N -1 1 448.588 5.220 40 0 IKABMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000030847901 556507791 /nfs/dbraw/zinc/50/77/91/556507791.db2.gz QELBBSGXEWJLBI-SFHVURJKSA-N -1 1 438.549 5.017 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)c(Cl)c2)cc1 ZINC000030868839 556513148 /nfs/dbraw/zinc/51/31/48/556513148.db2.gz KGUYARIYCJGLQZ-INIZCTEOSA-N -1 1 440.952 5.041 40 0 IKABMM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408921876 556517981 /nfs/dbraw/zinc/51/79/81/556517981.db2.gz JWLCXAVCLWRFPG-UHFFFAOYSA-N -1 1 448.569 5.371 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)c1 ZINC000408926579 556522654 /nfs/dbraw/zinc/52/26/54/556522654.db2.gz UTKYUCCOFYSOIM-GOSISDBHSA-N -1 1 440.590 5.224 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000013669058 556549801 /nfs/dbraw/zinc/54/98/01/556549801.db2.gz QNKKSEXJGNZLCK-UHFFFAOYSA-N -1 1 436.023 6.155 40 0 IKABMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013669257 556550110 /nfs/dbraw/zinc/55/01/10/556550110.db2.gz WAJXQLXXDKKGQE-SFHVURJKSA-N -1 1 436.577 5.276 40 0 IKABMM CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000013673498 556553371 /nfs/dbraw/zinc/55/33/71/556553371.db2.gz HUJULHUWVPPDNI-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM CC(C)(C)c1[n-]n(-c2ccccc2)c(=O)c1-c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C ZINC000016322747 556600613 /nfs/dbraw/zinc/60/06/13/556600613.db2.gz HVUYFELWXZRABM-PMACEKPBSA-N -1 1 430.552 5.117 40 0 IKABMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000016322984 556600630 /nfs/dbraw/zinc/60/06/30/556600630.db2.gz BXBBJVPLEYLWRP-UHFFFAOYSA-N -1 1 431.772 5.777 40 0 IKABMM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000100933976 556612039 /nfs/dbraw/zinc/61/20/39/556612039.db2.gz VCKMBHWNGBOGEH-CYXNTTPDSA-N -1 1 434.495 5.199 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 ZINC000038755174 556617528 /nfs/dbraw/zinc/61/75/28/556617528.db2.gz DPONEJHGORCLHV-OAHLLOKOSA-N -1 1 446.931 5.079 40 0 IKABMM C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[n-]1 ZINC000040385812 556636082 /nfs/dbraw/zinc/63/60/82/556636082.db2.gz MJMIFCGBASSJGB-HNNXBMFYSA-N -1 1 437.528 5.074 40 0 IKABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000044842591 556668628 /nfs/dbraw/zinc/66/86/28/556668628.db2.gz FQEPZBVFJSESAK-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM CCOc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000044848688 556670137 /nfs/dbraw/zinc/67/01/37/556670137.db2.gz NSVYHMVNZHUIIT-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000044848620 556670149 /nfs/dbraw/zinc/67/01/49/556670149.db2.gz JULYMEHGKFCSOB-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000044885161 556675303 /nfs/dbraw/zinc/67/53/03/556675303.db2.gz PTNHHDLWQMATPH-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 ZINC000044900708 556677395 /nfs/dbraw/zinc/67/73/95/556677395.db2.gz JCLATZSTOAEXAI-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000044901768 556678239 /nfs/dbraw/zinc/67/82/39/556678239.db2.gz AFEYTCCGSHNIDH-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013619223 556704038 /nfs/dbraw/zinc/70/40/38/556704038.db2.gz FWPXXWJCAFWHHE-VJBWXMMDSA-N -1 1 432.907 5.008 40 0 IKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000013659153 556708045 /nfs/dbraw/zinc/70/80/45/556708045.db2.gz CKHWGQAGHQQPTC-ZNZIZOMTSA-N -1 1 434.495 5.199 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 ZINC000408906121 556884447 /nfs/dbraw/zinc/88/44/47/556884447.db2.gz CQBDYMBRBMIVTJ-NTEUORMPSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408906736 556884692 /nfs/dbraw/zinc/88/46/92/556884692.db2.gz DLCVCPGEKDROFH-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000408921470 556891057 /nfs/dbraw/zinc/89/10/57/556891057.db2.gz IBRQCSYCKBDGRS-VGOFMYFVSA-N -1 1 444.915 5.240 40 0 IKABMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)N1 ZINC000408919410 556891684 /nfs/dbraw/zinc/89/16/84/556891684.db2.gz XMOMEIDMXDHXOF-LHHJGKSTSA-N -1 1 432.090 5.060 40 0 IKABMM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408925997 556891935 /nfs/dbraw/zinc/89/19/35/556891935.db2.gz WGSCMNLXPZYCKB-UHFFFAOYSA-N -1 1 446.981 5.262 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000408926651 556892068 /nfs/dbraw/zinc/89/20/68/556892068.db2.gz VPMCLAOAUPUTTH-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000408926972 556892148 /nfs/dbraw/zinc/89/21/48/556892148.db2.gz XBAFROJYMJHZIM-UHFFFAOYSA-N -1 1 433.558 5.450 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)c1 ZINC000408926583 556892205 /nfs/dbraw/zinc/89/22/05/556892205.db2.gz UTKYUCCOFYSOIM-SFHVURJKSA-N -1 1 440.590 5.224 40 0 IKABMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408923929 556892594 /nfs/dbraw/zinc/89/25/94/556892594.db2.gz IGBQJEFYLGPSDU-HNNXBMFYSA-N -1 1 446.981 5.260 40 0 IKABMM COc1cc(Br)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1OC ZINC000408989148 556911940 /nfs/dbraw/zinc/91/19/40/556911940.db2.gz KEIKDUSUXOMMGH-UHFFFAOYSA-N -1 1 449.370 5.503 40 0 IKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000019931547 556948758 /nfs/dbraw/zinc/94/87/58/556948758.db2.gz HQHZNCBRTHSJTJ-NRFANRHFSA-N -1 1 428.941 5.022 40 0 IKABMM CC(C)Oc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000019932218 556949061 /nfs/dbraw/zinc/94/90/61/556949061.db2.gz ZHABBYGJNSXTTN-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409129937 556967236 /nfs/dbraw/zinc/96/72/36/556967236.db2.gz VLKUNHKLCPJFOX-NVMNQCDNSA-N -1 1 431.344 5.883 40 0 IKABMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020035598 556970025 /nfs/dbraw/zinc/97/00/25/556970025.db2.gz FDRRCIFGIGEJDQ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)ccc21 ZINC000020040334 556971631 /nfs/dbraw/zinc/97/16/31/556971631.db2.gz KKQYSFJZMNSIRK-UHFFFAOYSA-N -1 1 447.560 5.050 40 0 IKABMM Cc1ccc(C)c([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020040794 556971675 /nfs/dbraw/zinc/97/16/75/556971675.db2.gz DOARXMOOSNREPZ-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM O=S(=O)([N-]c1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(Br)cc1 ZINC000409166940 556982435 /nfs/dbraw/zinc/98/24/35/556982435.db2.gz HOEJFXAPROFGHO-UHFFFAOYSA-N -1 1 446.410 5.790 40 0 IKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1 ZINC000020106627 556983071 /nfs/dbraw/zinc/98/30/71/556983071.db2.gz SBIUQWFFYYABGM-UHFFFAOYSA-N -1 1 444.556 5.439 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000020107354 556983538 /nfs/dbraw/zinc/98/35/38/556983538.db2.gz HKAWACQURUXDTA-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020107573 556983728 /nfs/dbraw/zinc/98/37/28/556983728.db2.gz NHFREWKINCIXPF-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000409180996 556989377 /nfs/dbraw/zinc/98/93/77/556989377.db2.gz XNTUHHUBBZDLSS-WLRTZDKTSA-N -1 1 444.915 5.240 40 0 IKABMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000409178568 556996552 /nfs/dbraw/zinc/99/65/52/556996552.db2.gz LHZOANFPPUBOLX-SFHVURJKSA-N -1 1 440.590 5.224 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000409178203 556996618 /nfs/dbraw/zinc/99/66/18/556996618.db2.gz KZRANZLRTSEMAO-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1n[nH]c(SC(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])n1 ZINC000409191961 557010359 /nfs/dbraw/zinc/01/03/59/557010359.db2.gz RDBQCTHSPVUZFV-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])n[nH]1 ZINC000409191961 557010360 /nfs/dbraw/zinc/01/03/60/557010360.db2.gz RDBQCTHSPVUZFV-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 ZINC000408546565 557035717 /nfs/dbraw/zinc/03/57/17/557035717.db2.gz FIZMAGHOBJZLRP-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)NC1CCCCC1 ZINC000408553382 557036650 /nfs/dbraw/zinc/03/66/50/557036650.db2.gz VTLUMTVFFXHDES-UHFFFAOYSA-N -1 1 441.380 5.165 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408558416 557038252 /nfs/dbraw/zinc/03/82/52/557038252.db2.gz RLERNSORWXSMFU-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccccc1 ZINC000408554061 557038811 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ZINC000008810204 557171843 /nfs/dbraw/zinc/17/18/43/557171843.db2.gz ACRHVXJVTJOCCD-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 ZINC000008810368 557172391 /nfs/dbraw/zinc/17/23/91/557172391.db2.gz ZTAKNNQFTYOTTJ-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 ZINC000008810662 557172743 /nfs/dbraw/zinc/17/27/43/557172743.db2.gz CJISSNWICJHSBY-UHFFFAOYSA-N -1 1 430.476 5.141 40 0 IKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810919 557173869 /nfs/dbraw/zinc/17/38/69/557173869.db2.gz GZSLLFQEMRXNKG-UHFFFAOYSA-N -1 1 444.503 5.143 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000022109768 557177908 /nfs/dbraw/zinc/17/79/08/557177908.db2.gz OBAHPPBSQBUHAG-UHFFFAOYSA-N -1 1 432.977 5.268 40 0 IKABMM COc1cccc(CNn2c(-c3ccccc3)n[n-]c2=S)c1OCc1ccccc1F ZINC000022110060 557178235 /nfs/dbraw/zinc/17/82/35/557178235.db2.gz 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O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000010112623 557205141 /nfs/dbraw/zinc/20/51/41/557205141.db2.gz TVPKQWCPCXJQNY-UHFFFAOYSA-N -1 1 436.533 5.061 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314612 557215756 /nfs/dbraw/zinc/21/57/56/557215756.db2.gz RVZYWFXTWRNHOX-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315051 557216572 /nfs/dbraw/zinc/21/65/72/557216572.db2.gz KAWAKLANUDIRKR-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000219285750 557235816 /nfs/dbraw/zinc/23/58/16/557235816.db2.gz XBOCRPRFZGOWML-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM CCc1ccccc1NC(=O)C([O-])=CC(=O)c1sc(Nc2ccccc2Cl)nc1C ZINC000102956667 557310738 /nfs/dbraw/zinc/31/07/38/557310738.db2.gz ZVDCGYJMRRRQJW-UHFFFAOYSA-N -1 1 441.940 5.192 40 0 IKABMM O=C(Cc1ccc(Cl)cc1)Sc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000013601475 557380523 /nfs/dbraw/zinc/38/05/23/557380523.db2.gz FKZDWZVCALJTNB-UHFFFAOYSA-N -1 1 436.964 5.320 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)cc1 ZINC000222849451 557393801 /nfs/dbraw/zinc/39/38/01/557393801.db2.gz JRYSCVTYJFHUOW-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3cccc4ccccc43)ccc2C)cc1 ZINC000222855272 557394812 /nfs/dbraw/zinc/39/48/12/557394812.db2.gz YJEOXICLBOESIX-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222932470 557404680 /nfs/dbraw/zinc/40/46/80/557404680.db2.gz YJFCMSAIJCKUKJ-IBGZPJMESA-N -1 1 448.588 5.166 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222932545 557404737 /nfs/dbraw/zinc/40/47/37/557404737.db2.gz YJFCMSAIJCKUKJ-LJQANCHMSA-N -1 1 448.588 5.166 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222942870 557406529 /nfs/dbraw/zinc/40/65/29/557406529.db2.gz 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ZINC000017097562 557479233 /nfs/dbraw/zinc/47/92/33/557479233.db2.gz VNQRREGJNZAAKN-UHFFFAOYSA-N -1 1 431.517 5.198 40 0 IKABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc2O1 ZINC000223663487 557499209 /nfs/dbraw/zinc/49/92/09/557499209.db2.gz UFYKKSYHKMOZNO-UHFFFAOYSA-N -1 1 430.751 5.007 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3[O-])nc2c1 ZINC000019643735 557504526 /nfs/dbraw/zinc/50/45/26/557504526.db2.gz FVEKBOUENZOJPE-UHFFFAOYSA-N -1 1 445.544 5.506 40 0 IKABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1C ZINC000223799322 557514685 /nfs/dbraw/zinc/51/46/85/557514685.db2.gz ZBWFBFCNAGHVDY-UHFFFAOYSA-N -1 1 439.577 5.050 40 0 IKABMM O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223922488 557529250 /nfs/dbraw/zinc/52/92/50/557529250.db2.gz HGHSNECGKBZDLP-UHFFFAOYSA-N -1 1 428.513 5.407 40 0 IKABMM O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223926435 557529729 /nfs/dbraw/zinc/52/97/29/557529729.db2.gz 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IKABMM Cc1cc(C(=O)NC2CCCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224008151 557543470 /nfs/dbraw/zinc/54/34/70/557543470.db2.gz LYDBXHAASFPDTD-UHFFFAOYSA-N -1 1 434.989 5.292 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 ZINC000224013494 557544299 /nfs/dbraw/zinc/54/42/99/557544299.db2.gz NKKRWTRANLGGCS-UHFFFAOYSA-N -1 1 438.549 5.180 40 0 IKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 ZINC000224018196 557545488 /nfs/dbraw/zinc/54/54/88/557545488.db2.gz CFEXSDTXUXMOMD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019719 557545917 /nfs/dbraw/zinc/54/59/17/557545917.db2.gz TYVOUYGNYXVWCU-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000224022815 557546622 /nfs/dbraw/zinc/54/66/22/557546622.db2.gz BMJUETWCAZLBJL-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](c3ccccc3C)C(C)C)c2)cc1 ZINC000224027088 557547130 /nfs/dbraw/zinc/54/71/30/557547130.db2.gz KYYUMRFYNULTCR-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)cc1 ZINC000224027022 557547172 /nfs/dbraw/zinc/54/71/72/557547172.db2.gz KYYUMRFYNULTCR-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM Cc1cc(Cl)ccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224030533 557547876 /nfs/dbraw/zinc/54/78/76/557547876.db2.gz IAKNCTCJBSTEMD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(C)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000224031302 557547892 /nfs/dbraw/zinc/54/78/92/557547892.db2.gz RUTDVIORCOKMNF-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC(C)c1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031440 557548134 /nfs/dbraw/zinc/54/81/34/557548134.db2.gz YTOTZROSRVTKPB-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM Cc1ccc(C)c([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224034857 557548895 /nfs/dbraw/zinc/54/88/95/557548895.db2.gz 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Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224054524 557552377 /nfs/dbraw/zinc/55/23/77/557552377.db2.gz KHJDCEZWSHKYGY-HNNXBMFYSA-N -1 1 446.931 5.079 40 0 IKABMM Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224054573 557552402 /nfs/dbraw/zinc/55/24/02/557552402.db2.gz KHJDCEZWSHKYGY-OAHLLOKOSA-N -1 1 446.931 5.079 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224054464 557552466 /nfs/dbraw/zinc/55/24/66/557552466.db2.gz NOAAVWPYIIYTNU-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053703 557552482 /nfs/dbraw/zinc/55/24/82/557552482.db2.gz MRDMFCVTQGBEJE-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1ccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224054755 557552488 /nfs/dbraw/zinc/55/24/88/557552488.db2.gz YOLLBZYFZPKWBQ-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CCc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000224066288 557554426 /nfs/dbraw/zinc/55/44/26/557554426.db2.gz QKOQQZQXAFTXTB-UHFFFAOYSA-N -1 1 449.359 5.609 40 0 IKABMM Cc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000224066570 557554462 /nfs/dbraw/zinc/55/44/62/557554462.db2.gz HFAIFLMXHLOXOV-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 ZINC000224067974 557554740 /nfs/dbraw/zinc/55/47/40/557554740.db2.gz RRYVDGMUHZCFTQ-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000224070622 557555196 /nfs/dbraw/zinc/55/51/96/557555196.db2.gz CVUYVZTYRZTQPH-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 ZINC000224079391 557557125 /nfs/dbraw/zinc/55/71/25/557557125.db2.gz YCESGTVUVRXHKX-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000224082307 557557756 /nfs/dbraw/zinc/55/77/56/557557756.db2.gz LKHYMZJVPYSKJA-UHFFFAOYSA-N -1 1 436.577 5.023 40 0 IKABMM CN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224083865 557558425 /nfs/dbraw/zinc/55/84/25/557558425.db2.gz JGXQBDBOWAYFFL-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1cccc(CN(C)C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224101996 557561319 /nfs/dbraw/zinc/56/13/19/557561319.db2.gz IQEKWMWIHCKSPT-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CCCC[C@@H](CC)CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224400374 557602068 /nfs/dbraw/zinc/60/20/68/557602068.db2.gz YPFADRVQSDCPBS-QGZVFWFLSA-N -1 1 437.005 5.395 40 0 IKABMM CCCC[C@@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224404042 557602560 /nfs/dbraw/zinc/60/25/60/557602560.db2.gz PWZSMTMUIFSKDM-QGZVFWFLSA-N -1 1 437.005 5.395 40 0 IKABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000224526694 557616886 /nfs/dbraw/zinc/61/68/86/557616886.db2.gz RKAMGSNXTZQDSY-UHFFFAOYSA-N -1 1 438.549 5.046 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 ZINC000224533364 557617532 /nfs/dbraw/zinc/61/75/32/557617532.db2.gz VXRXRRDNANHTNM-VGOFMYFVSA-N -1 1 440.952 5.410 40 0 IKABMM C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224554633 557622262 /nfs/dbraw/zinc/62/22/62/557622262.db2.gz GWTAKVSWKVGYFV-SFHVURJKSA-N -1 1 446.528 5.047 40 0 IKABMM CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224563410 557624025 /nfs/dbraw/zinc/62/40/25/557624025.db2.gz OUUPCRBZTHYBMC-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000224565342 557624233 /nfs/dbraw/zinc/62/42/33/557624233.db2.gz OMFNJIKCPGSUQP-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224566145 557624468 /nfs/dbraw/zinc/62/44/68/557624468.db2.gz LEISELMEXXJZKX-UHFFFAOYSA-N -1 1 449.359 5.366 40 0 IKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Br)c(Cl)c3)ccc2c1 ZINC000224614905 557631218 /nfs/dbraw/zinc/63/12/18/557631218.db2.gz MVMQKSMQWVABTQ-UHFFFAOYSA-N -1 1 426.719 5.065 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1 ZINC000224957484 557671110 /nfs/dbraw/zinc/67/11/10/557671110.db2.gz LCGZOYPWMJGHHD-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(Cl)c1 ZINC000224998531 557675600 /nfs/dbraw/zinc/67/56/00/557675600.db2.gz AVXOIDFSCUBQEG-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c1 ZINC000225051660 557683157 /nfs/dbraw/zinc/68/31/57/557683157.db2.gz GPNCFHJZGQCSGZ-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000225059312 557684015 /nfs/dbraw/zinc/68/40/15/557684015.db2.gz WTDXBUNLIGDMKL-IBGZPJMESA-N -1 1 436.577 5.158 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000225059269 557684033 /nfs/dbraw/zinc/68/40/33/557684033.db2.gz WTDXBUNLIGDMKL-LJQANCHMSA-N -1 1 436.577 5.158 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1NC(=O)C(C)C ZINC000225201734 557699694 /nfs/dbraw/zinc/69/96/94/557699694.db2.gz ODDJMSUPWBRMHZ-UHFFFAOYSA-N -1 1 440.590 5.056 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000225596141 557749297 /nfs/dbraw/zinc/74/92/97/557749297.db2.gz XNMRWHLUFXUFFT-INIZCTEOSA-N -1 1 442.968 5.194 40 0 IKABMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225742989 557771712 /nfs/dbraw/zinc/77/17/12/557771712.db2.gz YLCRPGVRFQGNRS-UHFFFAOYSA-N -1 1 438.574 5.036 40 0 IKABMM COc1c([C@H]2COc3cc([O-])c(CC=C(C)C)c(O)c3C2=O)ccc(O)c1CC=C(C)C ZINC000014727574 563014933 /nfs/dbraw/zinc/01/49/33/563014933.db2.gz ARNVYCOTFWJTBS-LJQANCHMSA-N -1 1 438.520 5.188 40 0 biogenic,in-vitro IKABMM Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)[O-] ZINC000095921139 563195044 /nfs/dbraw/zinc/19/50/44/563195044.db2.gz FHWSAZXFPUMKFL-UHFFFAOYSA-N -1 1 431.879 6.174 40 0 in-vitro IKABMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)c3ccccc3)[n-]2)cc1 ZINC000001464746 568820178 /nfs/dbraw/zinc/82/01/78/568820178.db2.gz CHRPFXPBNUAETD-UHFFFAOYSA-N -1 1 448.569 5.193 40 0 IKABMM COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(=O)c-3c2[O-])OC(C)(C)C=C4)cc1OC ZINC000001583703 568941522 /nfs/dbraw/zinc/94/15/22/568941522.db2.gz LQYJACCCVUEHFD-UHFFFAOYSA-N -1 1 448.515 5.876 40 0 IKABMM O=C(NC(c1ccccc1)c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010314257 569222529 /nfs/dbraw/zinc/22/25/29/569222529.db2.gz FVMVCOWUJBFGTI-UHFFFAOYSA-N -1 1 442.540 5.007 40 0 IKABMM Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314754 569222581 /nfs/dbraw/zinc/22/25/81/569222581.db2.gz OKRZMVQDAVVURD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 ZINC000010314967 569222732 /nfs/dbraw/zinc/22/27/32/569222732.db2.gz WVUGHCMBYODUMA-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010328339 569223174 /nfs/dbraw/zinc/22/31/74/569223174.db2.gz PGOGVMGMIAIXGV-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000010332180 569223347 /nfs/dbraw/zinc/22/33/47/569223347.db2.gz ZEJHDJAQLWVHCG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1 ZINC000010333270 569223394 /nfs/dbraw/zinc/22/33/94/569223394.db2.gz QXDBIQPUFCMZNO-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 ZINC000010370960 569224063 /nfs/dbraw/zinc/22/40/63/569224063.db2.gz XJIJSEAGGOGDSM-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000010372398 569224167 /nfs/dbraw/zinc/22/41/67/569224167.db2.gz LPYXUHWQRJJZDS-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010372418 569224182 /nfs/dbraw/zinc/22/41/82/569224182.db2.gz OGPFHLSEPYKDQI-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000010372198 569224188 /nfs/dbraw/zinc/22/41/88/569224188.db2.gz HSYYOEXPSMRQKA-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000010433959 569224265 /nfs/dbraw/zinc/22/42/65/569224265.db2.gz IJJRUUHYKUDHHA-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)N1CCCCC1 ZINC000026116528 569242325 /nfs/dbraw/zinc/24/23/25/569242325.db2.gz RWGSOCYIPGXZFJ-UHFFFAOYSA-N -1 1 446.638 5.267 40 0 IKABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000028206880 569242618 /nfs/dbraw/zinc/24/26/18/569242618.db2.gz BDLDQNYZESTBMG-SFHVURJKSA-N -1 1 442.540 5.232 40 0 IKABMM CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000033623235 569245107 /nfs/dbraw/zinc/24/51/07/569245107.db2.gz BVFOUDKXONTLOC-UHFFFAOYSA-N -1 1 440.590 5.089 40 0 IKABMM Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000033782866 569246865 /nfs/dbraw/zinc/24/68/65/569246865.db2.gz OFFUVYWPGPCWQX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000035362025 569248636 /nfs/dbraw/zinc/24/86/36/569248636.db2.gz ZUYAFLJPXYBOTN-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCc4ccccn4)sc3c2)cc1 ZINC000059417575 569249707 /nfs/dbraw/zinc/24/97/07/569249707.db2.gz YQQYICVAPPGDJJ-UHFFFAOYSA-N -1 1 427.576 5.093 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)c1C ZINC000107590115 569250599 /nfs/dbraw/zinc/25/05/99/569250599.db2.gz YETYGFWBUUPLSJ-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM C[C@@]1(c2ccccc2)CC(n2c3ccccc3c3ccccc32)=NC(SCC(=O)[O-])=N1 ZINC000008856015 569291265 /nfs/dbraw/zinc/29/12/65/569291265.db2.gz XZYLZFUUIXGASZ-VWLOTQADSA-N -1 1 427.529 5.534 40 0 IKABMM O=C(Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000008765676 569474792 /nfs/dbraw/zinc/47/47/92/569474792.db2.gz LAZYHQKRKBRHCC-UHFFFAOYSA-N -1 1 437.904 5.513 40 0 IKABMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C[C@@H](C)CC3 ZINC000008870434 569480674 /nfs/dbraw/zinc/48/06/74/569480674.db2.gz GQRSUVHCFAIHHU-ZDUSSCGKSA-N -1 1 446.528 5.386 40 0 IKABMM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020492124 521117314 /nfs/dbraw/zinc/11/73/14/521117314.db2.gz VELLKGLAWSPQFW-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM CCOc1ccc2nc([N-]c3nc4c(c(-c5ccc(C)cc5)n3)CCCC4)nc(C)c2c1 ZINC000020798182 521304828 /nfs/dbraw/zinc/30/48/28/521304828.db2.gz IAMAGHYKHARBRP-UHFFFAOYSA-N -1 1 425.536 5.725 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020490381 524065768 /nfs/dbraw/zinc/06/57/68/524065768.db2.gz DXZVQDQZBCUQRM-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1ccc(CN(C)C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000044905074 524380093 /nfs/dbraw/zinc/38/00/93/524380093.db2.gz BWNZKPQSTVTRPM-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)c1 ZINC000015412481 524691600 /nfs/dbraw/zinc/69/16/00/524691600.db2.gz LMOGJPBAVFBZJC-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1C ZINC000020459614 525295395 /nfs/dbraw/zinc/29/53/95/525295395.db2.gz YQJSDUDCYRIBDL-SFHVURJKSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCNc3cccc(Cl)c3)cc2)cc1 ZINC000012461864 525598578 /nfs/dbraw/zinc/59/85/78/525598578.db2.gz WAJHOHHMMBTRDU-UHFFFAOYSA-N -1 1 428.941 5.134 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c2)cc1 ZINC000022524792 525599385 /nfs/dbraw/zinc/59/93/85/525599385.db2.gz SUKIFUFVMAYOTI-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000020460847 525600454 /nfs/dbraw/zinc/60/04/54/525600454.db2.gz FBTOSDXASAIUNA-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1 ZINC000020483942 525603134 /nfs/dbraw/zinc/60/31/34/525603134.db2.gz PFDAJOVTVGOKBA-UHFFFAOYSA-N -1 1 434.989 5.292 40 0 IKABMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000022522650 526134567 /nfs/dbraw/zinc/13/45/67/526134567.db2.gz QUADVGBUSOUHID-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020453111 526135007 /nfs/dbraw/zinc/13/50/07/526135007.db2.gz LPJPJUINRWEBAY-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000020453005 526210935 /nfs/dbraw/zinc/21/09/35/526210935.db2.gz AKNPNBSJNJFZCG-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(F)cc1 ZINC000021305634 527256354 /nfs/dbraw/zinc/25/63/54/527256354.db2.gz MBQAYIARHIHBQR-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM O=C(Nc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020460231 527384683 /nfs/dbraw/zinc/38/46/83/527384683.db2.gz XINQGPKPVLHOAU-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM O=C([N-]c1nc(SCc2ccccc2Cl)ns1)c1cc(F)c(F)cc1Cl ZINC000001106059 555629675 /nfs/dbraw/zinc/62/96/75/555629675.db2.gz HFOUYVVRLRJCQH-UHFFFAOYSA-N -1 1 432.304 5.668 40 0 IKABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408627462 555998396 /nfs/dbraw/zinc/99/83/96/555998396.db2.gz ZWTDVJLDXPXTCI-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000005328150 556045697 /nfs/dbraw/zinc/04/56/97/556045697.db2.gz IDRIAUALEUEQJL-UHFFFAOYSA-N -1 1 435.354 7.459 40 0 IKABMM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000002200523 556059350 /nfs/dbraw/zinc/05/93/50/556059350.db2.gz VCKMBHWNGBOGEH-NXCFDTQHSA-N -1 1 434.495 5.199 40 0 IKABMM O=C(Cc1sc(Nc2ccccc2Cl)nc1[O-])Nc1ccc(Cl)cc1Cl ZINC000005891742 556068928 /nfs/dbraw/zinc/06/89/28/556068928.db2.gz UXVYYFRGYBIXLW-CQSZACIVSA-N -1 1 428.728 5.086 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 ZINC000035402846 556095300 /nfs/dbraw/zinc/09/53/00/556095300.db2.gz HCQQTNNKZVLNPL-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010019894 556322673 /nfs/dbraw/zinc/32/26/73/556322673.db2.gz NHVYSMFBCDSZOC-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010333643 556332486 /nfs/dbraw/zinc/33/24/86/556332486.db2.gz BVVLXOYDYBBDEM-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000010336874 556332748 /nfs/dbraw/zinc/33/27/48/556332748.db2.gz UMRWNIBYZVSXRV-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cn1nc(C(F)(F)F)c(C=C2SC(=S)[N-]C2=O)c1SCc1ccc(Cl)cc1 ZINC000028822808 556461700 /nfs/dbraw/zinc/46/17/00/556461700.db2.gz CVYPRDPBCXSVBN-WDZFZDKYSA-N -1 1 449.932 5.714 40 0 in-vitro IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408908186 556493581 /nfs/dbraw/zinc/49/35/81/556493581.db2.gz UTYIJAJALBMEQR-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000030753282 556503496 /nfs/dbraw/zinc/50/34/96/556503496.db2.gz SQFDETCSTBSXIV-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)cc1 ZINC000030752681 556503593 /nfs/dbraw/zinc/50/35/93/556503593.db2.gz XXVZVQMTGXCCCS-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 ZINC000030757859 556505170 /nfs/dbraw/zinc/50/51/70/556505170.db2.gz FCALWWFNDYLCFX-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030850010 556508408 /nfs/dbraw/zinc/50/84/08/556508408.db2.gz OXJJTHNCGZSKSM-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2C)cc1 ZINC000030853479 556509601 /nfs/dbraw/zinc/50/96/01/556509601.db2.gz PJSMLHFXZGGBAK-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCc4ccccc43)c(Cl)c2)cc1 ZINC000030864969 556511925 /nfs/dbraw/zinc/51/19/25/556511925.db2.gz OIXTUOGLUWZJMF-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC[C@@H](C)COc1ccccc1 ZINC000032109508 556530118 /nfs/dbraw/zinc/53/01/18/556530118.db2.gz HQRRYVRPFWBUDR-DKNZLLBESA-N -1 1 429.563 5.508 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1 ZINC000015588164 556536054 /nfs/dbraw/zinc/53/60/54/556536054.db2.gz MRMQOZLKNNYJCX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C ZINC000013677446 556555094 /nfs/dbraw/zinc/55/50/94/556555094.db2.gz VLTWSMHNAQJEQU-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM COc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016228254 556593560 /nfs/dbraw/zinc/59/35/60/556593560.db2.gz ZNOODDPTMJJMIX-UHFFFAOYSA-N -1 1 446.330 5.569 40 0 IKABMM O=S(=O)([N-]c1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccccc1 ZINC000016491540 556612555 /nfs/dbraw/zinc/61/25/55/556612555.db2.gz SUTKQWRNOIGWKC-UHFFFAOYSA-N -1 1 429.295 5.058 40 0 IKABMM O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cc2ccccc2oc1=O ZINC000016525598 556614062 /nfs/dbraw/zinc/61/40/62/556614062.db2.gz DNABPMDMBAGZQL-UHFFFAOYSA-N -1 1 432.819 5.213 40 0 IKABMM O=C(Nc1cccc2ccccc21)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000038754624 556616916 /nfs/dbraw/zinc/61/69/16/556616916.db2.gz NWAXBBHMCUNCET-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 ZINC000038755444 556617544 /nfs/dbraw/zinc/61/75/44/556617544.db2.gz BSDSSEGZYHVGIP-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101076916 556653824 /nfs/dbraw/zinc/65/38/24/556653824.db2.gz CZUDJILWSYVQCR-VABKMULXSA-N -1 1 432.907 5.008 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000044901015 556677632 /nfs/dbraw/zinc/67/76/32/556677632.db2.gz BBLLVJDOSUPZHV-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000408908774 556887043 /nfs/dbraw/zinc/88/70/43/556887043.db2.gz YRWSFKYCOOIMKH-UHFFFAOYSA-N -1 1 440.590 5.143 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)c1 ZINC000408926059 556892195 /nfs/dbraw/zinc/89/21/95/556892195.db2.gz NTSACVPVEPZDIV-UHFFFAOYSA-N -1 1 440.590 5.225 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1Cl ZINC000408923820 556892577 /nfs/dbraw/zinc/89/25/77/556892577.db2.gz GXZXZDUNDGQMGW-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408923931 556892584 /nfs/dbraw/zinc/89/25/84/556892584.db2.gz IGBQJEFYLGPSDU-OAHLLOKOSA-N -1 1 446.981 5.260 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000408923984 556892693 /nfs/dbraw/zinc/89/26/93/556892693.db2.gz IVMCZJSWOGWTPR-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000019931545 556948805 /nfs/dbraw/zinc/94/88/05/556948805.db2.gz HQHZNCBRTHSJTJ-OAQYLSRUSA-N -1 1 428.941 5.022 40 0 IKABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 ZINC000072375564 556951808 /nfs/dbraw/zinc/95/18/08/556951808.db2.gz CIPSFBNPLPJJJX-HXUWFJFHSA-N -1 1 446.580 5.017 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020035081 556969668 /nfs/dbraw/zinc/96/96/68/556969668.db2.gz SKZKPUDGVGVABZ-OAQYLSRUSA-N -1 1 428.941 5.022 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020038314 556970818 /nfs/dbraw/zinc/97/08/18/556970818.db2.gz YFMIMZINTVDSIH-UHFFFAOYSA-N -1 1 442.968 5.518 40 0 IKABMM Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020041374 556971952 /nfs/dbraw/zinc/97/19/52/556971952.db2.gz YCRDMOJPIUPPDG-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2C)cc1 ZINC000020048971 556974413 /nfs/dbraw/zinc/97/44/13/556974413.db2.gz KZBWBNFFXVPVNL-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1cccc(C(C)C)c1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020106474 556982643 /nfs/dbraw/zinc/98/26/43/556982643.db2.gz CVGQLSCYTMGJEX-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000020107046 556983286 /nfs/dbraw/zinc/98/32/86/556983286.db2.gz WLOTVHDALQVZSN-UHFFFAOYSA-N -1 1 443.568 6.169 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1Cl ZINC000409176833 556986250 /nfs/dbraw/zinc/98/62/50/556986250.db2.gz YXYIDROONXYROL-RIYZIHGNSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000409180495 556989123 /nfs/dbraw/zinc/98/91/23/556989123.db2.gz YOMIZTKNYLDVQM-WOJGMQOQSA-N -1 1 448.588 5.745 40 0 IKABMM Cc1n[nH]c(SC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])n1 ZINC000409192713 556992491 /nfs/dbraw/zinc/99/24/91/556992491.db2.gz ZONJNBUZUCZGQC-QRVIBDJDSA-N -1 1 440.528 5.487 40 0 IKABMM Cc1nc(SC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409192713 556992495 /nfs/dbraw/zinc/99/24/95/556992495.db2.gz ZONJNBUZUCZGQC-QRVIBDJDSA-N -1 1 440.528 5.487 40 0 IKABMM Cc1n[nH]c(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n1 ZINC000409191966 557010371 /nfs/dbraw/zinc/01/03/71/557010371.db2.gz RHMPIJZLFLAVJE-JAIQZWGSSA-N -1 1 438.940 5.296 40 0 IKABMM Cc1nc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409191966 557010372 /nfs/dbraw/zinc/01/03/72/557010372.db2.gz RHMPIJZLFLAVJE-JAIQZWGSSA-N -1 1 438.940 5.296 40 0 IKABMM Cc1nnc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])[nH]1 ZINC000409194130 557010509 /nfs/dbraw/zinc/01/05/09/557010509.db2.gz NFHLDSYHGCUZIY-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])n[nH]1 ZINC000409194130 557010513 /nfs/dbraw/zinc/01/05/13/557010513.db2.gz NFHLDSYHGCUZIY-MFOYZWKCSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c(C)c1 ZINC000408543382 557034224 /nfs/dbraw/zinc/03/42/24/557034224.db2.gz DBDNRRQQBHADMJ-UHFFFAOYSA-N -1 1 436.577 5.590 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408547717 557034542 /nfs/dbraw/zinc/03/45/42/557034542.db2.gz LWGKOCSZYKZMGJ-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 ZINC000408547917 557035037 /nfs/dbraw/zinc/03/50/37/557035037.db2.gz OOBQYUCFAOKGKA-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000408549082 557035213 /nfs/dbraw/zinc/03/52/13/557035213.db2.gz WQWSCXAAIUUMMS-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C ZINC000408545882 557035792 /nfs/dbraw/zinc/03/57/92/557035792.db2.gz PDMWLVAFWNGQAE-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1 ZINC000408555824 557037305 /nfs/dbraw/zinc/03/73/05/557037305.db2.gz GSEHJSGKWJKDPA-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000408602633 557068925 /nfs/dbraw/zinc/06/89/25/557068925.db2.gz FBGDSIAAINZNKC-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccccc2OC(C)C)C(=O)[O-])n1 ZINC000408631780 557073220 /nfs/dbraw/zinc/07/32/20/557073220.db2.gz LJWIUHSPJXBDHJ-ZDLGFXPLSA-N -1 1 445.928 5.139 40 0 IKABMM O=C([O-])C(=Cc1cccc(Cl)c1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408631696 557073250 /nfs/dbraw/zinc/07/32/50/557073250.db2.gz AOGMDGBEBQVZLZ-JYRVWZFOSA-N -1 1 426.712 5.650 40 0 IKABMM O=C([O-])C(=Cc1ccc(N2CCCCCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408632387 557073695 /nfs/dbraw/zinc/07/36/95/557073695.db2.gz FKMUSQDTRNZSIT-LGMDPLHJSA-N -1 1 444.944 5.316 40 0 IKABMM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1cccc2ccccc21 ZINC000409256490 557081585 /nfs/dbraw/zinc/08/15/85/557081585.db2.gz OUTAUHBFCBLFBV-UHFFFAOYSA-N -1 1 436.467 5.774 40 0 IKABMM O=C([O-])C(=Cc1ccc(Cl)cc1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408633574 557082088 /nfs/dbraw/zinc/08/20/88/557082088.db2.gz KPUVBSCEPXQXRU-AUWJEWJLSA-N -1 1 426.712 5.650 40 0 IKABMM CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000409381852 557091151 /nfs/dbraw/zinc/09/11/51/557091151.db2.gz OHODUEJJWPMARF-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1C ZINC000409382913 557091547 /nfs/dbraw/zinc/09/15/47/557091547.db2.gz XSSVJPQYZZEYCD-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1C ZINC000409410850 557103736 /nfs/dbraw/zinc/10/37/36/557103736.db2.gz RDWZQWBVHIEXKR-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c1 ZINC000408693906 557104415 /nfs/dbraw/zinc/10/44/15/557104415.db2.gz AZWZWLPPEWLVHO-UHFFFAOYSA-N -1 1 440.590 5.549 40 0 IKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000409411941 557104796 /nfs/dbraw/zinc/10/47/96/557104796.db2.gz NZDHNMCGNGMUBJ-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4)ccc32)cc1 ZINC000020766038 557127990 /nfs/dbraw/zinc/12/79/90/557127990.db2.gz KXDVCHWEYXFMHL-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)c1 ZINC000408705905 557128750 /nfs/dbraw/zinc/12/87/50/557128750.db2.gz QADMZCSUTRFSRH-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000409355684 557136454 /nfs/dbraw/zinc/13/64/54/557136454.db2.gz DFGHCFJWBGGKFR-UHFFFAOYSA-N -1 1 436.577 5.491 40 0 IKABMM CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000409357409 557137114 /nfs/dbraw/zinc/13/71/14/557137114.db2.gz HYDXPEUHBRWJOX-UHFFFAOYSA-N -1 1 436.577 5.238 40 0 IKABMM CSc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000216286698 557142019 /nfs/dbraw/zinc/14/20/19/557142019.db2.gz BXMLUBKGQPIXEM-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000216290628 557142372 /nfs/dbraw/zinc/14/23/72/557142372.db2.gz BZBRPQLBJLHBFM-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1c(C)cc(C)cc1C ZINC000408735392 557142747 /nfs/dbraw/zinc/14/27/47/557142747.db2.gz RGFFHLMVJLOFAF-UHFFFAOYSA-N -1 1 434.561 6.194 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000409411013 557145251 /nfs/dbraw/zinc/14/52/51/557145251.db2.gz SHGGAFIYMVNQNQ-UHFFFAOYSA-N -1 1 436.577 5.481 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1C ZINC000409410539 557145364 /nfs/dbraw/zinc/14/53/64/557145364.db2.gz NSAMUKBAIRMDFC-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000409409710 557145424 /nfs/dbraw/zinc/14/54/24/557145424.db2.gz QHZKGKLAGSCUJH-UHFFFAOYSA-N -1 1 436.577 5.699 40 0 IKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(C)cc1 ZINC000216414456 557145778 /nfs/dbraw/zinc/14/57/78/557145778.db2.gz JOXKJAVBMFQIAO-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000409411969 557146103 /nfs/dbraw/zinc/14/61/03/557146103.db2.gz OPWLLFJTXJJVHB-UHFFFAOYSA-N -1 1 436.577 5.536 40 0 IKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810048 557171500 /nfs/dbraw/zinc/17/15/00/557171500.db2.gz DLYDZYBZJIRUSR-UHFFFAOYSA-N -1 1 446.931 5.403 40 0 IKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810207 557171774 /nfs/dbraw/zinc/17/17/74/557171774.db2.gz NRKMHGMZRSVJQA-UHFFFAOYSA-N -1 1 446.931 5.403 40 0 IKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 ZINC000008810212 557172168 /nfs/dbraw/zinc/17/21/68/557172168.db2.gz NOONRCKKCIRXOW-UHFFFAOYSA-N -1 1 446.931 5.656 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 ZINC000008810364 557172427 /nfs/dbraw/zinc/17/24/27/557172427.db2.gz UPVFRYQGKUXDNO-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F)c1ccccc1Cl ZINC000008810377 557172526 /nfs/dbraw/zinc/17/25/26/557172526.db2.gz PLSPTYGJMKOJLQ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000022109908 557178201 /nfs/dbraw/zinc/17/82/01/557178201.db2.gz BKDKBTCEGIHKTH-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022110355 557178376 /nfs/dbraw/zinc/17/83/76/557178376.db2.gz AIULKERASBZWAH-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OCc2ccccc2F)c1 ZINC000022110877 557178864 /nfs/dbraw/zinc/17/88/64/557178864.db2.gz PSAANAMITUPWFD-UHFFFAOYSA-N -1 1 436.512 5.078 40 0 IKABMM CCOc1c(Cl)cc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccccc1OC ZINC000022111265 557179186 /nfs/dbraw/zinc/17/91/86/557179186.db2.gz DJINZWAAJXJUMB-UHFFFAOYSA-N -1 1 425.341 5.065 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c(C)c1 ZINC000010112470 557205289 /nfs/dbraw/zinc/20/52/89/557205289.db2.gz KWYHCGCJKDRKRO-IBGZPJMESA-N -1 1 434.561 5.004 40 0 IKABMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1Cl ZINC000010314956 557216123 /nfs/dbraw/zinc/21/61/23/557216123.db2.gz CKFWYFHEYUFZEV-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2C)cc1 ZINC000010315111 557216474 /nfs/dbraw/zinc/21/64/74/557216474.db2.gz KWUSFCHOTMSQKZ-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000219285609 557235670 /nfs/dbraw/zinc/23/56/70/557235670.db2.gz USSCZPZYUMTBKC-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM CC(C)(C)c1cc(CC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc(C(C)(C)C)c1O ZINC000100040097 557238479 /nfs/dbraw/zinc/23/84/79/557238479.db2.gz CZLRVLVRXRTHSZ-UHFFFAOYSA-N -1 1 442.599 6.912 40 0 IKABMM CC(C)(C)c1[n-]n(-c2ccccc2)c(=O)c1-c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C ZINC000100989750 557280765 /nfs/dbraw/zinc/28/07/65/557280765.db2.gz HVUYFELWXZRABM-BGYRXZFFSA-N -1 1 430.552 5.117 40 0 IKABMM Cc1nc(Nc2c(C)cccc2C)sc1C(=O)C=C([O-])C(=O)Nc1c(C)cccc1C ZINC000102981847 557311533 /nfs/dbraw/zinc/31/15/33/557311533.db2.gz OLFHKUPTVNGLGB-UHFFFAOYSA-N -1 1 435.549 5.209 40 0 IKABMM CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101110771 557330433 /nfs/dbraw/zinc/33/04/33/557330433.db2.gz BPCKCISMEYBLFD-HJOGWXRNSA-N -1 1 426.516 5.035 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c1 ZINC000222770728 557385039 /nfs/dbraw/zinc/38/50/39/557385039.db2.gz LABBWMQOCUBBHX-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3ccccc3c2)ccc1C ZINC000222770652 557385092 /nfs/dbraw/zinc/38/50/92/557385092.db2.gz ZEAIQQVCNJIWHB-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc4ccccc4c3)c2C)cc1 ZINC000222777437 557385900 /nfs/dbraw/zinc/38/59/00/557385900.db2.gz QZAJSQOSFKMQDM-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000222877341 557396974 /nfs/dbraw/zinc/39/69/74/557396974.db2.gz ZTSXHHBFZKRUBF-UHFFFAOYSA-N -1 1 436.577 5.008 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222942573 557406394 /nfs/dbraw/zinc/40/63/94/557406394.db2.gz BVAATFISNLOYPD-IBGZPJMESA-N -1 1 448.588 5.166 40 0 IKABMM Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000222943689 557406681 /nfs/dbraw/zinc/40/66/81/557406681.db2.gz KTUTXIOWYPEGIW-LJQANCHMSA-N -1 1 448.588 5.166 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000223054632 557422312 /nfs/dbraw/zinc/42/23/12/557422312.db2.gz DJKRPYQDMTWURO-LJQANCHMSA-N -1 1 436.577 5.158 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223054639 557422415 /nfs/dbraw/zinc/42/24/15/557422415.db2.gz YARNPBNFPZZWLC-RUZDIDTESA-N -1 1 448.588 5.247 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000223054687 557422448 /nfs/dbraw/zinc/42/24/48/557422448.db2.gz DJKRPYQDMTWURO-IBGZPJMESA-N -1 1 436.577 5.158 40 0 IKABMM CC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2 ZINC000223067047 557425030 /nfs/dbraw/zinc/42/50/30/557425030.db2.gz PJJRWKOZGVVSHL-RUZDIDTESA-N -1 1 448.588 5.247 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 ZINC000014154546 557426208 /nfs/dbraw/zinc/42/62/08/557426208.db2.gz PUNCWCGEBHOWHC-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014154903 557426502 /nfs/dbraw/zinc/42/65/02/557426502.db2.gz YDEOAYJSYBDDMN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1C ZINC000014154732 557426505 /nfs/dbraw/zinc/42/65/05/557426505.db2.gz GCMKYQAREFNTSB-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)c2C)cc1 ZINC000223192463 557443921 /nfs/dbraw/zinc/44/39/21/557443921.db2.gz ZGTSEXAKAZQOQK-IBGZPJMESA-N -1 1 448.588 5.084 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000014400866 557446148 /nfs/dbraw/zinc/44/61/48/557446148.db2.gz AJFHEQGYAWDXKH-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000223268681 557453688 /nfs/dbraw/zinc/45/36/88/557453688.db2.gz IQCOJJXBCXGUNY-SFHVURJKSA-N -1 1 448.588 5.204 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015419379 557462407 /nfs/dbraw/zinc/46/24/07/557462407.db2.gz KUDMRTZOAIYGCI-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3[O-])nc2c1 ZINC000017097560 557479218 /nfs/dbraw/zinc/47/92/18/557479218.db2.gz QJNOAXSJXOJRCV-UHFFFAOYSA-N -1 1 431.517 5.198 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000223540254 557483260 /nfs/dbraw/zinc/48/32/60/557483260.db2.gz DVUQMXFTOYAVAI-IBGZPJMESA-N -1 1 436.577 5.158 40 0 IKABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3cccc(OCCc4ccccc4)c3)ccc2O1 ZINC000223668614 557499793 /nfs/dbraw/zinc/49/97/93/557499793.db2.gz VACQLWWUQOVUCX-UHFFFAOYSA-N -1 1 437.561 5.213 40 0 IKABMM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000223922869 557529580 /nfs/dbraw/zinc/52/95/80/557529580.db2.gz XRHYCDOPRVKLOE-GOSISDBHSA-N -1 1 436.577 5.276 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000223933854 557530768 /nfs/dbraw/zinc/53/07/68/557530768.db2.gz TUKMFVSJFWLJFF-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000223940127 557531687 /nfs/dbraw/zinc/53/16/87/557531687.db2.gz WTLWBADHDKOHAW-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000223942586 557531791 /nfs/dbraw/zinc/53/17/91/557531791.db2.gz UUSBVIYJKNHHEV-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(C)c(C)c1 ZINC000223945015 557532139 /nfs/dbraw/zinc/53/21/39/557532139.db2.gz UJMGLRLJLOZBMR-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000223945701 557532386 /nfs/dbraw/zinc/53/23/86/557532386.db2.gz ZYBPESSKJQPYRL-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c1 ZINC000223945760 557532496 /nfs/dbraw/zinc/53/24/96/557532496.db2.gz ZYBPESSKJQPYRL-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)c1 ZINC000223950667 557533196 /nfs/dbraw/zinc/53/31/96/557533196.db2.gz RZLRDISALURGRF-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)c(C)c1 ZINC000223952579 557533495 /nfs/dbraw/zinc/53/34/95/557533495.db2.gz GGHJCLZBWKCTCT-DEOSSOPVSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000223954231 557533823 /nfs/dbraw/zinc/53/38/23/557533823.db2.gz ZCQBXJXPZYSDMP-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000223959214 557534509 /nfs/dbraw/zinc/53/45/09/557534509.db2.gz QYXJBKJYVDGGJY-DEOSSOPVSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(C)cc1C ZINC000223969661 557536419 /nfs/dbraw/zinc/53/64/19/557536419.db2.gz SNRUVIXHWIFUAG-HSZRJFAPSA-N -1 1 440.540 5.124 40 0 IKABMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223975345 557537576 /nfs/dbraw/zinc/53/75/76/557537576.db2.gz KGLXLUGMVGEETJ-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000223978205 557537977 /nfs/dbraw/zinc/53/79/77/557537977.db2.gz PTEGXZIBPJMSCM-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000223978999 557538336 /nfs/dbraw/zinc/53/83/36/557538336.db2.gz YTBAZFOBCLKEAN-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223996228 557541362 /nfs/dbraw/zinc/54/13/62/557541362.db2.gz LBYCMDAEXUPHLJ-UHFFFAOYSA-N -1 1 440.590 5.332 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000223997439 557541568 /nfs/dbraw/zinc/54/15/68/557541568.db2.gz ZBVDCDNIRKKOIZ-QGZVFWFLSA-N -1 1 440.590 5.009 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1 ZINC000223997676 557541638 /nfs/dbraw/zinc/54/16/38/557541638.db2.gz MWXWMRGTJJYODB-QFIPXVFZSA-N -1 1 440.590 5.090 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 ZINC000223997782 557541662 /nfs/dbraw/zinc/54/16/62/557541662.db2.gz SCTVMBDWTPCZIP-UHFFFAOYSA-N -1 1 432.611 5.052 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000223997382 557541679 /nfs/dbraw/zinc/54/16/79/557541679.db2.gz ZBVDCDNIRKKOIZ-KRWDZBQOSA-N -1 1 440.590 5.009 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 ZINC000224002683 557542367 /nfs/dbraw/zinc/54/23/67/557542367.db2.gz MAWDFLRMRJZBMK-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224003142 557542388 /nfs/dbraw/zinc/54/23/88/557542388.db2.gz VLMYJWXYMXQCLY-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224003063 557542391 /nfs/dbraw/zinc/54/23/91/557542391.db2.gz HCIFZEUFBPRQPT-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 ZINC000224017749 557545083 /nfs/dbraw/zinc/54/50/83/557545083.db2.gz MSOAJINKJOENSI-AWEZNQCLSA-N -1 1 449.359 5.285 40 0 IKABMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 ZINC000224018580 557545468 /nfs/dbraw/zinc/54/54/68/557545468.db2.gz XRLHPQNELYEZFY-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000224018895 557545702 /nfs/dbraw/zinc/54/57/02/557545702.db2.gz VCHYZXRMKWNCNX-UHFFFAOYSA-N -1 1 449.359 5.609 40 0 IKABMM O=C(NC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019911 557545870 /nfs/dbraw/zinc/54/58/70/557545870.db2.gz LDEDLOGUUFGGEB-UHFFFAOYSA-N -1 1 441.380 5.247 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031374 557548184 /nfs/dbraw/zinc/54/81/84/557548184.db2.gz RFSQBCQPLUNBOF-UHFFFAOYSA-N -1 1 442.968 5.518 40 0 IKABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000224033875 557548577 /nfs/dbraw/zinc/54/85/77/557548577.db2.gz WKOMZSCJHOIRLO-NRFANRHFSA-N -1 1 428.941 5.022 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224034067 557548630 /nfs/dbraw/zinc/54/86/30/557548630.db2.gz FQCNITUOZFCCRX-UHFFFAOYSA-N -1 1 446.981 5.505 40 0 IKABMM Cc1ccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046545 557551152 /nfs/dbraw/zinc/55/11/52/557551152.db2.gz AUHKMKIGSHUJSF-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C ZINC000224047429 557551347 /nfs/dbraw/zinc/55/13/47/557551347.db2.gz FKRSPSBPWOKTPH-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl ZINC000224052146 557552243 /nfs/dbraw/zinc/55/22/43/557552243.db2.gz JIDBIGJRTPQJNP-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CN(Cc1ccccc1)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224065135 557554145 /nfs/dbraw/zinc/55/41/45/557554145.db2.gz GBJZRPWVFGGOLK-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224074402 557555811 /nfs/dbraw/zinc/55/58/11/557555811.db2.gz NJJWVOQPMAZZBY-UHFFFAOYSA-N -1 1 442.496 5.639 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000224076267 557556190 /nfs/dbraw/zinc/55/61/90/557556190.db2.gz RMYJXSPJKRCCCX-UHFFFAOYSA-N -1 1 436.577 5.023 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC000224077400 557556541 /nfs/dbraw/zinc/55/65/41/557556541.db2.gz KTJBLAFCXWEEAR-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc4ccccc43)c2)c1 ZINC000224078507 557556839 /nfs/dbraw/zinc/55/68/39/557556839.db2.gz NCGIYADUZZIIPH-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CN(Cc1cccc2ccccc21)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000224080950 557557863 /nfs/dbraw/zinc/55/78/63/557557863.db2.gz WICFWKUTSHDIJF-UHFFFAOYSA-N -1 1 448.519 5.052 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc4ccccc43)cc2)cc1 ZINC000224083387 557558142 /nfs/dbraw/zinc/55/81/42/557558142.db2.gz FHUSFPSCYRILDG-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224083938 557558462 /nfs/dbraw/zinc/55/84/62/557558462.db2.gz IKVYDCHVTWJAQS-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224089355 557559350 /nfs/dbraw/zinc/55/93/50/557559350.db2.gz YANXCHFXBCRNQY-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2C)cc1 ZINC000224090169 557559385 /nfs/dbraw/zinc/55/93/85/557559385.db2.gz UWZVFDFWFXXPQZ-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224092840 557559836 /nfs/dbraw/zinc/55/98/36/557559836.db2.gz YXHCWFOCXVABSX-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM CN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000224092763 557559858 /nfs/dbraw/zinc/55/98/58/557559858.db2.gz GHWGHKOTIDHFJV-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM CN(Cc1ccccc1Cl)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224096868 557560220 /nfs/dbraw/zinc/56/02/20/557560220.db2.gz UOJDICFDIFABBU-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224101690 557561106 /nfs/dbraw/zinc/56/11/06/557561106.db2.gz ZHMSRDUROVJWGG-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM CC(C)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000224103358 557561490 /nfs/dbraw/zinc/56/14/90/557561490.db2.gz WDLKBTVXSWWLSN-UHFFFAOYSA-N -1 1 442.968 5.194 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 ZINC000224105135 557561709 /nfs/dbraw/zinc/56/17/09/557561709.db2.gz BFDOZZUNDZCOPB-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000224526290 557616635 /nfs/dbraw/zinc/61/66/35/557616635.db2.gz RDYVBPFVQOFIGJ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000224526150 557616695 /nfs/dbraw/zinc/61/66/95/557616695.db2.gz MTLSKEWNAKLCGN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000224528871 557617074 /nfs/dbraw/zinc/61/70/74/557617074.db2.gz LTLKORJTOXKUFI-VGOFMYFVSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000224534775 557617845 /nfs/dbraw/zinc/61/78/45/557617845.db2.gz NGJFIORIIMSWEI-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000224541735 557618793 /nfs/dbraw/zinc/61/87/93/557618793.db2.gz OYRJUXAAZIQBDQ-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000224553663 557621772 /nfs/dbraw/zinc/62/17/72/557621772.db2.gz BJWHPDJNQVAYOB-UHFFFAOYSA-N -1 1 444.940 5.182 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSCc3ccccc3)cc2)c1 ZINC000224554252 557622091 /nfs/dbraw/zinc/62/20/91/557622091.db2.gz CPEQZRUGHGVXLU-UHFFFAOYSA-N -1 1 440.590 5.058 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c1 ZINC000224563119 557624015 /nfs/dbraw/zinc/62/40/15/557624015.db2.gz OSVWVWDGPYVLNO-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000224563264 557624075 /nfs/dbraw/zinc/62/40/75/557624075.db2.gz OTRWRQQRHCMWRB-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000224565109 557624183 /nfs/dbraw/zinc/62/41/83/557624183.db2.gz QZRMJBMFRKMQFB-UHFFFAOYSA-N -1 1 446.528 5.292 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000224607805 557630265 /nfs/dbraw/zinc/63/02/65/557630265.db2.gz FGBMPTANUYTTGH-LJQANCHMSA-N -1 1 436.577 5.158 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206931 557647059 /nfs/dbraw/zinc/64/70/59/557647059.db2.gz XREYFOITZGSADG-INIZCTEOSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000224953767 557670761 /nfs/dbraw/zinc/67/07/61/557670761.db2.gz UTOPBTRNOCQDKQ-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224972830 557673190 /nfs/dbraw/zinc/67/31/90/557673190.db2.gz PVMVTSITJGKNRX-UHFFFAOYSA-N -1 1 442.540 5.336 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000225055610 557683530 /nfs/dbraw/zinc/68/35/30/557683530.db2.gz QZLDEKURVZFJKO-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000225580076 557746313 /nfs/dbraw/zinc/74/63/13/557746313.db2.gz AMXBDCYABKGBPV-IBGZPJMESA-N -1 1 436.577 5.158 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000225596111 557749468 /nfs/dbraw/zinc/74/94/68/557749468.db2.gz XNMRWHLUFXUFFT-MRXNPFEDSA-N -1 1 442.968 5.194 40 0 IKABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2sc1=O ZINC000225722162 557768549 /nfs/dbraw/zinc/76/85/49/557768549.db2.gz DECZTNXJXJOQBM-UHFFFAOYSA-N -1 1 440.546 5.066 40 0 IKABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc2n1Cc1ccccc1 ZINC000225738788 557770959 /nfs/dbraw/zinc/77/09/59/557770959.db2.gz VMBKZQUXFYKAJO-UHFFFAOYSA-N -1 1 446.553 5.065 40 0 IKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)ccc2c1 ZINC000225863980 557786648 /nfs/dbraw/zinc/78/66/48/557786648.db2.gz DHWHIFGPZPVHPP-UHFFFAOYSA-N -1 1 435.570 5.942 40 0 IKABMM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000059474561 557824409 /nfs/dbraw/zinc/82/44/09/557824409.db2.gz ATTQHSMGZZCLBR-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000098031647 557839517 /nfs/dbraw/zinc/83/95/17/557839517.db2.gz BUUYDFWRTGCDNM-GIDUJCDVSA-N -1 1 442.693 5.184 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 ZINC000010314472 569222507 /nfs/dbraw/zinc/22/25/07/569222507.db2.gz PGVMTGDRGRLTOU-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2C)cc1 ZINC000010314274 569222587 /nfs/dbraw/zinc/22/25/87/569222587.db2.gz MEIIYENQCSAACQ-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000010329170 569223251 /nfs/dbraw/zinc/22/32/51/569223251.db2.gz XAXBVCODRDKQNN-UHFFFAOYSA-N -1 1 449.359 5.284 40 0 IKABMM CSc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010331601 569223299 /nfs/dbraw/zinc/22/32/99/569223299.db2.gz MKVCPCSKONZBLY-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2C)cc1 ZINC000010334514 569223432 /nfs/dbraw/zinc/22/34/32/569223432.db2.gz YOMOEPSHKKTNGU-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000010338541 569223653 /nfs/dbraw/zinc/22/36/53/569223653.db2.gz XPWFXHVNPQBXKY-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000010367320 569223961 /nfs/dbraw/zinc/22/39/61/569223961.db2.gz YQPLABNDKWETNU-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010367699 569223980 /nfs/dbraw/zinc/22/39/80/569223980.db2.gz DIDXYYPGCIAFPO-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010366098 569224007 /nfs/dbraw/zinc/22/40/07/569224007.db2.gz FHQHAJAKWCHXPO-UHFFFAOYSA-N -1 1 436.577 5.699 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C)cc1 ZINC000010369898 569224085 /nfs/dbraw/zinc/22/40/85/569224085.db2.gz BYOQBPLNTSZYOH-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010371633 569224236 /nfs/dbraw/zinc/22/42/36/569224236.db2.gz JKSIKMLVJMENAQ-UHFFFAOYSA-N -1 1 436.577 5.491 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 ZINC000033475631 569244209 /nfs/dbraw/zinc/24/42/09/569244209.db2.gz OVJDEKRTQVDGKT-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)NC1CCCCC1 ZINC000033658216 569245514 /nfs/dbraw/zinc/24/55/14/569245514.db2.gz ISOOBHRMKCNULQ-UHFFFAOYSA-N -1 1 441.380 5.165 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)cc1C ZINC000033775788 569246741 /nfs/dbraw/zinc/24/67/41/569246741.db2.gz YWDYYQUTIULXTC-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 ZINC000034746447 569247487 /nfs/dbraw/zinc/24/74/87/569247487.db2.gz VQQOKQRGYJXQRM-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)c1 ZINC000107596593 569250594 /nfs/dbraw/zinc/25/05/94/569250594.db2.gz MYSVQGVHHOCTBF-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c(C)c1 ZINC000108983791 569253326 /nfs/dbraw/zinc/25/33/26/569253326.db2.gz BIBJZBQRJFAPBF-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC(C)c1ccc(NC(=O)CN2CCC[C@@H]2Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000257283979 569277922 /nfs/dbraw/zinc/27/79/22/569277922.db2.gz PATHIMKSZICNNL-LJQANCHMSA-N -1 1 436.577 5.369 40 0 IKABMM O=C([O-])c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 ZINC000257327561 569279388 /nfs/dbraw/zinc/27/93/88/569279388.db2.gz XBVKRTGQIZHKQC-DEOSSOPVSA-N -1 1 438.930 5.695 40 0 IKABMM CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018152881 569284974 /nfs/dbraw/zinc/28/49/74/569284974.db2.gz BPCKCISMEYBLFD-SGNDLWITSA-N -1 1 426.516 5.035 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020461664 521284428 /nfs/dbraw/zinc/28/44/28/521284428.db2.gz MPLULVWYTCQXNM-UHFFFAOYSA-N -1 1 442.968 5.736 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000022520503 521778012 /nfs/dbraw/zinc/77/80/12/521778012.db2.gz LVCBQBYAQJOTMV-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022519856 521778900 /nfs/dbraw/zinc/77/89/00/521778900.db2.gz VXBIYRYNQDWPLL-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(C)cc1 ZINC000022535348 522783167 /nfs/dbraw/zinc/78/31/67/522783167.db2.gz PVDBDFNKVHUYDB-JOCHJYFZSA-N -1 1 436.577 5.294 40 0 IKABMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020487642 523226377 /nfs/dbraw/zinc/22/63/77/523226377.db2.gz AINNORDNJHMGLL-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000020492439 525603369 /nfs/dbraw/zinc/60/33/69/525603369.db2.gz XZYCYBRXROAUFS-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000022520658 525603420 /nfs/dbraw/zinc/60/34/20/525603420.db2.gz ANCIGUXEZRXUPI-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000022529191 525912296 /nfs/dbraw/zinc/91/22/96/525912296.db2.gz LBHFKJGABQGOPS-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc(F)c1 ZINC000021305631 527255878 /nfs/dbraw/zinc/25/58/78/527255878.db2.gz NMKXEBCLIDEYMM-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000020481993 527256075 /nfs/dbraw/zinc/25/60/75/527256075.db2.gz AESBOLVYXLEWTF-UHFFFAOYSA-N -1 1 433.554 6.431 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3[O-])oc2c1 ZINC000001268082 555688713 /nfs/dbraw/zinc/68/87/13/555688713.db2.gz NKCOSRVESLDIMT-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)NC1CCCCC1 ZINC000408553442 555882714 /nfs/dbraw/zinc/88/27/14/555882714.db2.gz WJFPKZABQPHPEF-UHFFFAOYSA-N -1 1 428.598 5.290 40 0 IKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408583608 555930189 /nfs/dbraw/zinc/93/01/89/555930189.db2.gz IQOGIWJGAPSECO-UHFFFAOYSA-N -1 1 429.586 5.020 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000035167900 555946340 /nfs/dbraw/zinc/94/63/40/555946340.db2.gz AJXHNEGBSWFSDY-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccc3ccccc23)C(=O)[O-])n1 ZINC000408631474 556002803 /nfs/dbraw/zinc/00/28/03/556002803.db2.gz JKUHHVYCUCRINQ-ODLFYWEKSA-N -1 1 437.908 5.505 40 0 IKABMM CCOc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1Cl ZINC000408632671 556004509 /nfs/dbraw/zinc/00/45/09/556004509.db2.gz GRKAHDOKJIXWSZ-YBEGLDIGSA-N -1 1 436.320 5.395 40 0 IKABMM CCOc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1OCC ZINC000408633873 556009430 /nfs/dbraw/zinc/00/94/30/556009430.db2.gz MQYHRZYXYJTFBR-PDGQHHTCSA-N -1 1 445.928 5.140 40 0 IKABMM COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c([O-])c-2c(=O)c1C=CC(C)C ZINC000005353616 556047303 /nfs/dbraw/zinc/04/73/03/556047303.db2.gz KRGDFVQWQJIMEK-TWGQIWQCSA-N -1 1 436.504 5.763 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000030847804 556507758 /nfs/dbraw/zinc/50/77/58/556507758.db2.gz OPJMJKAATKPNQH-OAHLLOKOSA-N -1 1 446.931 5.079 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000030849323 556508383 /nfs/dbraw/zinc/50/83/83/556508383.db2.gz YLSCIXXPBLDXHZ-SFHVURJKSA-N -1 1 440.540 5.043 40 0 IKABMM CCCCc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000030849427 556508427 /nfs/dbraw/zinc/50/84/27/556508427.db2.gz OGTJEOBPDSAKHT-UHFFFAOYSA-N -1 1 442.968 5.736 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000030856809 556510436 /nfs/dbraw/zinc/51/04/36/556510436.db2.gz SHQXMBXXVWOSNO-DEOSSOPVSA-N -1 1 436.577 5.313 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000030856802 556510500 /nfs/dbraw/zinc/51/05/00/556510500.db2.gz SHQXMBXXVWOSNO-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC000030860582 556510993 /nfs/dbraw/zinc/51/09/93/556510993.db2.gz PWEMSDLUXONHMN-INIZCTEOSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@H]3C)c(Cl)c2)cc1 ZINC000030868832 556513188 /nfs/dbraw/zinc/51/31/88/556513188.db2.gz KGUYARIYCJGLQZ-MRXNPFEDSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(C)C)c2)cc1 ZINC000030873810 556514044 /nfs/dbraw/zinc/51/40/44/556514044.db2.gz ZUACNGFZMXUWDW-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000032109511 556529981 /nfs/dbraw/zinc/52/99/81/556529981.db2.gz RXGDUYGDFXCPFI-NDENLUEZSA-N -1 1 448.009 6.559 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)cc1C ZINC000013667713 556548664 /nfs/dbraw/zinc/54/86/64/556548664.db2.gz RTOBZBSAYIAHGG-IBGZPJMESA-N -1 1 434.561 5.004 40 0 IKABMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013669256 556550151 /nfs/dbraw/zinc/55/01/51/556550151.db2.gz WAJXQLXXDKKGQE-GOSISDBHSA-N -1 1 436.577 5.276 40 0 IKABMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016450678 556609515 /nfs/dbraw/zinc/60/95/15/556609515.db2.gz WSCRQIBQPBNSNX-OJSQUZCYSA-N -1 1 441.577 6.743 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000038754937 556617268 /nfs/dbraw/zinc/61/72/68/556617268.db2.gz ISDUKMCVLKZWJN-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000038756594 556618217 /nfs/dbraw/zinc/61/82/17/556618217.db2.gz QYGLIJGKMSAIME-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000044843822 556669086 /nfs/dbraw/zinc/66/90/86/556669086.db2.gz GWGJQVKTIOXOOJ-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000044844377 556669195 /nfs/dbraw/zinc/66/91/95/556669195.db2.gz AUARUZZMMQWDNJ-UHFFFAOYSA-N -1 1 449.359 5.284 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1C ZINC000044849404 556670185 /nfs/dbraw/zinc/67/01/85/556670185.db2.gz MMXXTJQTRAKXHS-SFHVURJKSA-N -1 1 440.540 5.043 40 0 IKABMM CCSc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044849148 556670264 /nfs/dbraw/zinc/67/02/64/556670264.db2.gz PEXPKXVYBYUVHH-UHFFFAOYSA-N -1 1 446.981 5.505 40 0 IKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000044880891 556674414 /nfs/dbraw/zinc/67/44/14/556674414.db2.gz SLQBZMJIJRYSDA-UHFFFAOYSA-N -1 1 426.513 5.176 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000044885912 556675546 /nfs/dbraw/zinc/67/55/46/556675546.db2.gz DGQYWBREWWFOOL-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000044886069 556675633 /nfs/dbraw/zinc/67/56/33/556675633.db2.gz ZCONLVZOZGPANF-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 ZINC000044900710 556677473 /nfs/dbraw/zinc/67/74/73/556677473.db2.gz JCLATZSTOAEXAI-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM CCc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000044949224 556684029 /nfs/dbraw/zinc/68/40/29/556684029.db2.gz PGZRGHFJXOQYJN-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccccc1 ZINC000408985791 556687734 /nfs/dbraw/zinc/68/77/34/556687734.db2.gz AYFJDXOQAKAFTJ-UHFFFAOYSA-N -1 1 432.545 5.920 40 0 IKABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013749558 556725554 /nfs/dbraw/zinc/72/55/54/556725554.db2.gz CZUDJILWSYVQCR-VJBWXMMDSA-N -1 1 432.907 5.008 40 0 IKABMM COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Br)c(Cl)c1[O-] ZINC000408902625 556885326 /nfs/dbraw/zinc/88/53/26/556885326.db2.gz OXPUMOOZWMBRJL-XYOKQWHBSA-N -1 1 440.702 5.058 40 0 IKABMM COc1cc(Br)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1OC ZINC000408994376 556913038 /nfs/dbraw/zinc/91/30/38/556913038.db2.gz ZCUCMKDMWIAZGM-UHFFFAOYSA-N -1 1 435.343 5.113 40 0 IKABMM COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)cc2)cc1 ZINC000408994694 556913313 /nfs/dbraw/zinc/91/33/13/556913313.db2.gz ZQRIRQNDRPVSQV-UHFFFAOYSA-N -1 1 446.572 6.311 40 0 IKABMM O=C(COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1)Nc1ccccc1 ZINC000409003748 556916966 /nfs/dbraw/zinc/91/69/66/556916966.db2.gz UPZXUGZYJHHDTH-UHFFFAOYSA-N -1 1 445.544 5.350 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1 ZINC000019933626 556949986 /nfs/dbraw/zinc/94/99/86/556949986.db2.gz ZZLFHKTUKATJPB-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 ZINC000072375563 556951852 /nfs/dbraw/zinc/95/18/52/556951852.db2.gz 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Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 ZINC000408549404 557035312 /nfs/dbraw/zinc/03/53/12/557035312.db2.gz YZDLQQZTFFINNU-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 ZINC000408546764 557035705 /nfs/dbraw/zinc/03/57/05/557035705.db2.gz VHEFFTRADDPJHU-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000408546878 557035811 /nfs/dbraw/zinc/03/58/11/557035811.db2.gz WRCWAHUBBJENRG-UHFFFAOYSA-N -1 1 436.577 5.590 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccccc1C ZINC000408558978 557038509 /nfs/dbraw/zinc/03/85/09/557038509.db2.gz UUTPRQWJVOAQHU-UHFFFAOYSA-N -1 1 446.528 5.210 40 0 IKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408582572 557044906 /nfs/dbraw/zinc/04/49/06/557044906.db2.gz DIPYFDAURAULAA-UHFFFAOYSA-N -1 1 429.586 5.327 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408611285 557065445 /nfs/dbraw/zinc/06/54/45/557065445.db2.gz VSHFBOOZDKMFNT-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccccc1 ZINC000408612268 557067698 /nfs/dbraw/zinc/06/76/98/557067698.db2.gz YAUXGKVFNKQAAR-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 ZINC000408613554 557067921 /nfs/dbraw/zinc/06/79/21/557067921.db2.gz YBDZETLKRIRLNH-AREMUKBSSA-N -1 1 442.559 5.026 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408602296 557068836 /nfs/dbraw/zinc/06/88/36/557068836.db2.gz CSYXFPXJYGQGNU-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1C ZINC000408622734 557071045 /nfs/dbraw/zinc/07/10/45/557071045.db2.gz QUYKRWHYMGHPEA-UHFFFAOYSA-N -1 1 428.598 5.255 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 ZINC000408617996 557075064 /nfs/dbraw/zinc/07/50/64/557075064.db2.gz INJRDVNPQYWOGA-UHFFFAOYSA-N -1 1 428.598 5.255 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1 ZINC000409381932 557091176 /nfs/dbraw/zinc/09/11/76/557091176.db2.gz PGKKWYMRMGFGAY-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1C ZINC000409383850 557091835 /nfs/dbraw/zinc/09/18/35/557091835.db2.gz LAUNEXRSJGWLKD-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000408679162 557097840 /nfs/dbraw/zinc/09/78/40/557097840.db2.gz IUHAJWVORHVHRL-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 ZINC000408693243 557104043 /nfs/dbraw/zinc/10/40/43/557104043.db2.gz YOVYRNGPGOFOON-UHFFFAOYSA-N -1 1 440.590 5.549 40 0 IKABMM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000408693167 557104114 /nfs/dbraw/zinc/10/41/14/557104114.db2.gz FMZWUWNDMKNXMJ-UHFFFAOYSA-N -1 1 446.981 5.505 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765685 557127549 /nfs/dbraw/zinc/12/75/49/557127549.db2.gz HOHVMGVLUMGFMJ-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)ccc32)cc1 ZINC000020766007 557128077 /nfs/dbraw/zinc/12/80/77/557128077.db2.gz YZVAJARWUGLLDU-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000409381878 557141024 /nfs/dbraw/zinc/14/10/24/557141024.db2.gz OKFMWIIDFMAPFC-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000216256236 557141354 /nfs/dbraw/zinc/14/13/54/557141354.db2.gz FFTPTSNGZAKBMN-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000216362372 557144309 /nfs/dbraw/zinc/14/43/09/557144309.db2.gz HLWAYLMXPOUBAX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000216372790 557144584 /nfs/dbraw/zinc/14/45/84/557144584.db2.gz RLGFROJLPDLLRK-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C)cc1 ZINC000409408604 557144998 /nfs/dbraw/zinc/14/49/98/557144998.db2.gz KBQNFYSSAURMBS-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c1C ZINC000006024056 557145236 /nfs/dbraw/zinc/14/52/36/557145236.db2.gz OBAQBWJPLIXDEZ-UHFFFAOYSA-N -1 1 426.582 5.033 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1C ZINC000409408653 557145434 /nfs/dbraw/zinc/14/54/34/557145434.db2.gz KKWSBOPKIJBIDY-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000216468040 557147318 /nfs/dbraw/zinc/14/73/18/557147318.db2.gz GPBKXXMXOMILHU-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1C ZINC000008810044 557171485 /nfs/dbraw/zinc/17/14/85/557171485.db2.gz 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ZINC000010112445 557204745 /nfs/dbraw/zinc/20/47/45/557204745.db2.gz BAYOALRUOQLCOP-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1 ZINC000010112461 557204833 /nfs/dbraw/zinc/20/48/33/557204833.db2.gz AGFISTLZPGMQCK-LJQANCHMSA-N -1 1 434.561 5.004 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2C)cc1 ZINC000010313900 557215431 /nfs/dbraw/zinc/21/54/31/557215431.db2.gz DIAZKFLSYRDFHX-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000010314511 557215817 /nfs/dbraw/zinc/21/58/17/557215817.db2.gz FEAAOOAQFRUDND-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314913 557216127 /nfs/dbraw/zinc/21/61/27/557216127.db2.gz ZYIQUZLVNUJLEJ-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314979 557216558 /nfs/dbraw/zinc/21/65/58/557216558.db2.gz RFQDCTMSUNOUNG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000013512890 557333817 /nfs/dbraw/zinc/33/38/17/557333817.db2.gz BPGLYQWARDDFNX-UHFFFAOYSA-N -1 1 439.577 5.132 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000222775686 557385551 /nfs/dbraw/zinc/38/55/51/557385551.db2.gz ULZYWLRZOIQTJG-MRXNPFEDSA-N -1 1 442.968 5.194 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 ZINC000223054698 557422349 /nfs/dbraw/zinc/42/23/49/557422349.db2.gz YARNPBNFPZZWLC-VWLOTQADSA-N -1 1 448.588 5.247 40 0 IKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000014153348 557423916 /nfs/dbraw/zinc/42/39/16/557423916.db2.gz PWAISFMRHZPFHO-QGOAFFKASA-N -1 1 442.540 5.601 40 0 IKABMM CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000014155253 557426851 /nfs/dbraw/zinc/42/68/51/557426851.db2.gz MCSCJYCRFCUWEA-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3[O-])nc2c1 ZINC000014270198 557429578 /nfs/dbraw/zinc/42/95/78/557429578.db2.gz HJQYPJHYDCXSBR-UHFFFAOYSA-N -1 1 445.544 5.506 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223192720 557443944 /nfs/dbraw/zinc/44/39/44/557443944.db2.gz SWGHMVZTXOHNID-IBGZPJMESA-N -1 1 448.588 5.084 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2C)cc1 ZINC000223193165 557444210 /nfs/dbraw/zinc/44/42/10/557444210.db2.gz HAKULSGJBJYXIL-IBGZPJMESA-N -1 1 448.588 5.084 40 0 IKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000223268638 557453728 /nfs/dbraw/zinc/45/37/28/557453728.db2.gz IQCOJJXBCXGUNY-GOSISDBHSA-N -1 1 448.588 5.204 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2Nc2ccc(C)cc2)cc1 ZINC000223422644 557470410 /nfs/dbraw/zinc/47/04/10/557470410.db2.gz WCUOQBNHVMOIGW-UHFFFAOYSA-N -1 1 438.549 5.413 40 0 IKABMM CC(C)OC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223424698 557470786 /nfs/dbraw/zinc/47/07/86/557470786.db2.gz CCHNEBBPWSOGNT-UHFFFAOYSA-N -1 1 436.961 5.061 40 0 IKABMM Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000223436927 557472099 /nfs/dbraw/zinc/47/20/99/557472099.db2.gz OCWHPGJHGAAGCS-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3[O-])oc2c(C)c1 ZINC000017097553 557479202 /nfs/dbraw/zinc/47/92/02/557479202.db2.gz QYXLZMQJISUUDX-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3[O-])oc2c1 ZINC000017097561 557479210 /nfs/dbraw/zinc/47/92/10/557479210.db2.gz HTXIAWFJKGJFLY-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1C ZINC000223610667 557491640 /nfs/dbraw/zinc/49/16/40/557491640.db2.gz RGBLSPOPJRMLKK-UHFFFAOYSA-N -1 1 448.009 6.059 40 0 IKABMM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc2O1 ZINC000223663721 557499201 /nfs/dbraw/zinc/49/92/01/557499201.db2.gz QZBMTVSHCKRKGN-UHFFFAOYSA-N -1 1 425.575 5.742 40 0 IKABMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002679341 557521876 /nfs/dbraw/zinc/52/18/76/557521876.db2.gz UNIOIJRUKSHWRC-UHFFFAOYSA-N -1 1 438.176 5.832 40 0 IKABMM O=C(NCCCc1cccc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223930849 557530501 /nfs/dbraw/zinc/53/05/01/557530501.db2.gz MSAWQDWNELXCFT-UHFFFAOYSA-N -1 1 444.556 5.003 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000223935195 557531083 /nfs/dbraw/zinc/53/10/83/557531083.db2.gz CUJGUUVRPDOHJJ-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000223936930 557531303 /nfs/dbraw/zinc/53/13/03/557531303.db2.gz ZGPZMOZJQKBWTG-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1 ZINC000223947990 557532761 /nfs/dbraw/zinc/53/27/61/557532761.db2.gz OGOLDRYWMPMDNJ-UHFFFAOYSA-N 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CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1C ZINC000223959157 557534565 /nfs/dbraw/zinc/53/45/65/557534565.db2.gz QYXJBKJYVDGGJY-XMMPIXPASA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974839 557537303 /nfs/dbraw/zinc/53/73/03/557537303.db2.gz MTYJXIVGYIIJAJ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975636 557537551 /nfs/dbraw/zinc/53/75/51/557537551.db2.gz JVVBWKDSSYSGKI-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000223979467 557538382 /nfs/dbraw/zinc/53/83/82/557538382.db2.gz XLZCMUOYTKWGBG-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1C ZINC000223979724 557538637 /nfs/dbraw/zinc/53/86/37/557538637.db2.gz IQLQGDQMRLRDHV-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000223984369 557539180 /nfs/dbraw/zinc/53/91/80/557539180.db2.gz XFCWIRWGZQPFNV-UHFFFAOYSA-N -1 1 438.549 5.091 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000223984166 557539234 /nfs/dbraw/zinc/53/92/34/557539234.db2.gz BZEKGDVJFOUYNT-UHFFFAOYSA-N -1 1 438.549 5.180 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000223993074 557540951 /nfs/dbraw/zinc/54/09/51/557540951.db2.gz DUWNMNRGMIALKZ-UHFFFAOYSA-N -1 1 440.590 5.585 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000223996082 557541405 /nfs/dbraw/zinc/54/14/05/557541405.db2.gz QJTHSKNQBLGQNG-UHFFFAOYSA-N -1 1 440.590 5.585 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224003373 557542406 /nfs/dbraw/zinc/54/24/06/557542406.db2.gz FRSFLGJKITWMDG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1Cl ZINC000224005484 557542689 /nfs/dbraw/zinc/54/26/89/557542689.db2.gz BJJLDQMLTUXUMJ-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224006294 557542913 /nfs/dbraw/zinc/54/29/13/557542913.db2.gz OTJADEUZWWEZKW-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4ccccc43)cc2C)cc1 ZINC000224010515 557543852 /nfs/dbraw/zinc/54/38/52/557543852.db2.gz HLSIIAGWFPJFIJ-UHFFFAOYSA-N -1 1 446.528 5.210 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1C ZINC000224016261 557544882 /nfs/dbraw/zinc/54/48/82/557544882.db2.gz VTWREUJXLLCJBZ-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1C ZINC000224016207 557544958 /nfs/dbraw/zinc/54/49/58/557544958.db2.gz VTWREUJXLLCJBZ-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1C ZINC000224018659 557545398 /nfs/dbraw/zinc/54/53/98/557545398.db2.gz NFASXNQWJLKRGK-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 ZINC000224018422 557545498 /nfs/dbraw/zinc/54/54/98/557545498.db2.gz DMTRPAGAJACHOA-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1C ZINC000224018819 557545628 /nfs/dbraw/zinc/54/56/28/557545628.db2.gz CFFINYVXRSCWEU-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000224019137 557545647 /nfs/dbraw/zinc/54/56/47/557545647.db2.gz JMRNGVMHDKGRIN-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 ZINC000224020466 557545806 /nfs/dbraw/zinc/54/58/06/557545806.db2.gz UNVDWNLEONHWHX-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM O=C(Nc1cccc2ccccc21)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224028563 557547429 /nfs/dbraw/zinc/54/74/29/557547429.db2.gz OIATVGQKPQNCOY-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224032280 557548088 /nfs/dbraw/zinc/54/80/88/557548088.db2.gz SXIHLLSVALZHFF-UHFFFAOYSA-N -1 1 442.968 5.736 40 0 IKABMM CC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(C)cc1 ZINC000224033995 557548567 /nfs/dbraw/zinc/54/85/67/557548567.db2.gz BUQUBPXFXSVSBQ-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224042068 557550187 /nfs/dbraw/zinc/55/01/87/557550187.db2.gz ZZYDOCXUSMJENA-UHFFFAOYSA-N -1 1 438.549 5.091 40 0 IKABMM Cc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224046600 557551167 /nfs/dbraw/zinc/55/11/67/557551167.db2.gz AUHKMKIGSHUJSF-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM Cc1ccc(C(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224049831 557551684 /nfs/dbraw/zinc/55/16/84/557551684.db2.gz MKFGYEUEODQYLL-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224050514 557551833 /nfs/dbraw/zinc/55/18/33/557551833.db2.gz KTOCANHXBAVISG-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1ccc(C(=O)NCCC2CCCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224054883 557552717 /nfs/dbraw/zinc/55/27/17/557552717.db2.gz AXJRBCBMDQRRQA-UHFFFAOYSA-N -1 1 449.016 5.540 40 0 IKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1C ZINC000224063369 557553647 /nfs/dbraw/zinc/55/36/47/557553647.db2.gz KEXOUHLUHBFEII-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM CC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1C ZINC000224063421 557553803 /nfs/dbraw/zinc/55/38/03/557553803.db2.gz KEXOUHLUHBFEII-QFIPXVFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCC3CCCCCC3)c2)cc1 ZINC000224063762 557553826 /nfs/dbraw/zinc/55/38/26/557553826.db2.gz CRWHWOOWCVFDLC-UHFFFAOYSA-N -1 1 449.016 5.540 40 0 IKABMM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000224065648 557554126 /nfs/dbraw/zinc/55/41/26/557554126.db2.gz IQYBUMYUCCIIDS-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(C(=O)N(C)Cc2cccc3ccccc32)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224089506 557559321 /nfs/dbraw/zinc/55/93/21/557559321.db2.gz OFGCAHIXSXRRDR-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CCCC[C@H](CC)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224404094 557602614 /nfs/dbraw/zinc/60/26/14/557602614.db2.gz PWZSMTMUIFSKDM-KRWDZBQOSA-N -1 1 437.005 5.395 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1Cl ZINC000224525120 557616453 /nfs/dbraw/zinc/61/64/53/557616453.db2.gz UKYROSSTSFFUQM-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000224530685 557617056 /nfs/dbraw/zinc/61/70/56/557617056.db2.gz SHHGKDJKLNLDFG-UHFFFAOYSA-N -1 1 431.970 5.258 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 ZINC000224533434 557617602 /nfs/dbraw/zinc/61/76/02/557617602.db2.gz ATAXHLCULGQMKK-VGOFMYFVSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSCc2ccccc2)cc1 ZINC000224554395 557622078 /nfs/dbraw/zinc/62/20/78/557622078.db2.gz SFEVEVDQOHLXRY-UHFFFAOYSA-N -1 1 440.590 5.058 40 0 IKABMM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)c1 ZINC000224558324 557623113 /nfs/dbraw/zinc/62/31/13/557623113.db2.gz FTPRXARUUBAHAV-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000224565635 557624445 /nfs/dbraw/zinc/62/44/45/557624445.db2.gz MTQIQTBVVKCUCC-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM O=C(CCc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224567629 557624910 /nfs/dbraw/zinc/62/49/10/557624910.db2.gz QVTXCRBEANOKLG-UHFFFAOYSA-N -1 1 430.529 5.212 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c(Cl)c1 ZINC000224997072 557675363 /nfs/dbraw/zinc/67/53/63/557675363.db2.gz XYIXRVARWYURLY-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c(Cl)c1 ZINC000224997993 557675612 /nfs/dbraw/zinc/67/56/12/557675612.db2.gz DRXUPEWAHOUNOG-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000224997581 557675673 /nfs/dbraw/zinc/67/56/73/557675673.db2.gz TUHMHMFTCIRKHP-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000225036051 557681349 /nfs/dbraw/zinc/68/13/49/557681349.db2.gz FLDDJYDBVJHUNI-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000225051874 557683121 /nfs/dbraw/zinc/68/31/21/557683121.db2.gz YDURCBLZHYVFDS-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(C)c1 ZINC000225056020 557683535 /nfs/dbraw/zinc/68/35/35/557683535.db2.gz SYDBPBAWDNWYDV-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c(C)c1 ZINC000225055957 557683550 /nfs/dbraw/zinc/68/35/50/557683550.db2.gz HOYYXHBZLRGCLE-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)c(C)c1 ZINC000225248316 557704973 /nfs/dbraw/zinc/70/49/73/557704973.db2.gz DTLZOSQSTZYZIB-UHFFFAOYSA-N -1 1 448.009 6.059 40 0 IKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4cc(OC)ccc4c3)ccc21 ZINC000225269397 557707226 /nfs/dbraw/zinc/70/72/26/557707226.db2.gz SZDFESSUGRGLRR-UHFFFAOYSA-N -1 1 430.529 5.777 40 0 IKABMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3)[nH]c2c1 ZINC000225269981 557707525 /nfs/dbraw/zinc/70/75/25/557707525.db2.gz HVLVXFIATGACEL-UHFFFAOYSA-N -1 1 432.332 5.646 40 0 IKABMM O=S(=O)([N-]c1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccc(Cl)cc1 ZINC000225335398 557712054 /nfs/dbraw/zinc/71/20/54/557712054.db2.gz VHLZXEIJFRNUHU-UHFFFAOYSA-N -1 1 427.938 5.326 40 0 IKABMM COc1c([C@@H]2COc3cc([O-])c(CC=C(C)C)c(O)c3C2=O)ccc(O)c1CC=C(C)C ZINC000014727573 563014964 /nfs/dbraw/zinc/01/49/64/563014964.db2.gz ARNVYCOTFWJTBS-IBGZPJMESA-N -1 1 438.520 5.188 40 0 biogenic,in-vitro IKABMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000228951992 569182345 /nfs/dbraw/zinc/18/23/45/569182345.db2.gz JTQIOXZGNICHOF-UHFFFAOYSA-N -1 1 448.182 5.288 40 0 IKABMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000010112019 569221246 /nfs/dbraw/zinc/22/12/46/569221246.db2.gz MVAKKMKGAPPHLB-SFHVURJKSA-N -1 1 436.577 5.276 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)cc1 ZINC000010313831 569222427 /nfs/dbraw/zinc/22/24/27/569222427.db2.gz PZTDGFFPWPFEKM-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000010314455 569222521 /nfs/dbraw/zinc/22/25/21/569222521.db2.gz QJJMHRBSLJKRIF-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 ZINC000010314529 569222531 /nfs/dbraw/zinc/22/25/31/569222531.db2.gz RWNCRKIZHAOWKK-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 ZINC000010314757 569222543 /nfs/dbraw/zinc/22/25/43/569222543.db2.gz JSXJVTOSMZZUAS-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C)cc1 ZINC000010314984 569222707 /nfs/dbraw/zinc/22/27/07/569222707.db2.gz NKQHRBADRXDFJU-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4ccccc4c3)c2C)cc1 ZINC000010314882 569222715 /nfs/dbraw/zinc/22/27/15/569222715.db2.gz SHRZUHNKNASDKK-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000010315242 569222723 /nfs/dbraw/zinc/22/27/23/569222723.db2.gz JCWJROIDBCFXTQ-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c1 ZINC000010315103 569222765 /nfs/dbraw/zinc/22/27/65/569222765.db2.gz DISICFBCSLGYCV-UHFFFAOYSA-N -1 1 436.577 5.491 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4ccccc43)cc2C)cc1 ZINC000010314992 569222768 /nfs/dbraw/zinc/22/27/68/569222768.db2.gz AXWQLXSETZGMAL-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 ZINC000010315211 569222770 /nfs/dbraw/zinc/22/27/70/569222770.db2.gz VXQUDZVGVQFTLL-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314953 569222781 /nfs/dbraw/zinc/22/27/81/569222781.db2.gz MWWROHNKGPZCTM-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 ZINC000010328133 569223164 /nfs/dbraw/zinc/22/31/64/569223164.db2.gz ANQNNRWCSHOFJK-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000010330803 569223237 /nfs/dbraw/zinc/22/32/37/569223237.db2.gz XVPZGCXUIMJQMC-UHFFFAOYSA-N -1 1 442.968 5.275 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1 ZINC000010328955 569223310 /nfs/dbraw/zinc/22/33/10/569223310.db2.gz TYPHHGSIKCEMKK-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000010334538 569223418 /nfs/dbraw/zinc/22/34/18/569223418.db2.gz MEJMLQURHFHMFN-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010362403 569223762 /nfs/dbraw/zinc/22/37/62/569223762.db2.gz OBHXMRJKLNCPDF-UHFFFAOYSA-N -1 1 436.577 5.481 40 0 IKABMM Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010368328 569223950 /nfs/dbraw/zinc/22/39/50/569223950.db2.gz IMNFMMLCPADKBS-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(Nc1ccccc1Oc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010366709 569223967 /nfs/dbraw/zinc/22/39/67/569223967.db2.gz FRWSGKPSPXOCEO-UHFFFAOYSA-N -1 1 444.512 5.532 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000010367803 569224003 /nfs/dbraw/zinc/22/40/03/569224003.db2.gz OJRAGNQNQZUHHJ-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4ccccc43)c2C)cc1 ZINC000010365955 569224018 /nfs/dbraw/zinc/22/40/18/569224018.db2.gz CVGIHTGRDNVFCZ-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000010370456 569224046 /nfs/dbraw/zinc/22/40/46/569224046.db2.gz MMFUNKLDNSWZIK-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2C)cc1 ZINC000010371815 569224240 /nfs/dbraw/zinc/22/42/40/569224240.db2.gz GONPHZQQZDFICW-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000015438678 569225515 /nfs/dbraw/zinc/22/55/15/569225515.db2.gz YIHOOMZILFZNGR-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000020571378 569241502 /nfs/dbraw/zinc/24/15/02/569241502.db2.gz CLPRSCSMDNPPFN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 ZINC000033389690 569243819 /nfs/dbraw/zinc/24/38/19/569243819.db2.gz LXQDGYBFZAWTQE-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000108261518 569252931 /nfs/dbraw/zinc/25/29/31/569252931.db2.gz OMBODXXWTPGMON-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000138404256 569253829 /nfs/dbraw/zinc/25/38/29/569253829.db2.gz QVJOCAVOWGSSMB-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1nnc([N-]c2cccc(C3CCN(C(=O)c4oc5ccccc5c4C)CC3)n2)s1 ZINC000257232274 569276685 /nfs/dbraw/zinc/27/66/85/569276685.db2.gz GKCNOVIYDWBIGS-UHFFFAOYSA-N -1 1 433.537 5.060 40 0 IKABMM COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(Cl)c2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257239276 569276804 /nfs/dbraw/zinc/27/68/04/569276804.db2.gz HOQMURGQBOXBLT-NNMXDRDESA-N -1 1 438.351 5.203 40 0 IKABMM O=C([O-])c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 ZINC000257327562 569279402 /nfs/dbraw/zinc/27/94/02/569279402.db2.gz XBVKRTGQIZHKQC-XMMPIXPASA-N -1 1 438.930 5.695 40 0 IKABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000017970764 569283055 /nfs/dbraw/zinc/28/30/55/569283055.db2.gz UNPWUJZCWFCHDA-VJBWXMMDSA-N -1 1 432.907 5.008 40 0 IKABMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc2c4c(cccc41)C(=O)N2)C[C@H](C)CC3 ZINC000008870435 569480669 /nfs/dbraw/zinc/48/06/69/569480669.db2.gz GQRSUVHCFAIHHU-CYBMUJFWSA-N -1 1 446.528 5.386 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccccc1 ZINC000020490760 522531972 /nfs/dbraw/zinc/53/19/72/522531972.db2.gz GCMABXYHEABXLK-QFIPXVFZSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000020453233 524276842 /nfs/dbraw/zinc/27/68/42/524276842.db2.gz OCAPITYFOITURM-UHFFFAOYSA-N -1 1 430.529 5.130 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000020492407 524439200 /nfs/dbraw/zinc/43/92/00/524439200.db2.gz WHXIIJHNJBGHEW-GOSISDBHSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000036007011 524929603 /nfs/dbraw/zinc/92/96/03/524929603.db2.gz CKHWGQAGHQQPTC-NXCFDTQHSA-N -1 1 434.495 5.199 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000020484928 525295112 /nfs/dbraw/zinc/29/51/12/525295112.db2.gz CJWXKSNMBPJUCG-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 ZINC000020481331 525602446 /nfs/dbraw/zinc/60/24/46/525602446.db2.gz SXWZVRVCECAZMY-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3C)c2)cc1 ZINC000020454356 525604308 /nfs/dbraw/zinc/60/43/08/525604308.db2.gz LMLVHRGGPBXQHO-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000022534486 525604397 /nfs/dbraw/zinc/60/43/97/525604397.db2.gz JLOIABAPSOHPHB-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c5c(cccc53)CC4)c2)cc1 ZINC000020570716 525612748 /nfs/dbraw/zinc/61/27/48/525612748.db2.gz SXYRQEPGDHKBJK-UHFFFAOYSA-N -1 1 442.540 5.300 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000020488247 525716360 /nfs/dbraw/zinc/71/63/60/525716360.db2.gz AOUJAWCHNHKSLD-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc2[nH]c(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)nc2c1 ZINC000021141879 526096592 /nfs/dbraw/zinc/09/65/92/526096592.db2.gz FUJKNAMOLBRAON-UHFFFAOYSA-N -1 1 442.338 5.102 40 0 IKABMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)[nH]c2c1 ZINC000021141879 526096610 /nfs/dbraw/zinc/09/66/10/526096610.db2.gz FUJKNAMOLBRAON-UHFFFAOYSA-N -1 1 442.338 5.102 40 0 IKABMM CC(C)Cc1cc(C(F)(F)F)nc(NN=c2nc(C(F)(F)F)cc(CC(C)C)[n-]2)n1 ZINC000001570696 555703663 /nfs/dbraw/zinc/70/36/63/555703663.db2.gz FWYKSQYUZUMWLC-UHFFFAOYSA-N -1 1 436.404 5.140 40 0 IKABMM Cc1cc(Cl)ccc1Nc1nc([O-])c(CC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000001622803 555706301 /nfs/dbraw/zinc/70/63/01/555706301.db2.gz VKYDQDGPOZKLFN-OAHLLOKOSA-N -1 1 442.755 5.394 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 ZINC000408543947 555791091 /nfs/dbraw/zinc/79/10/91/555791091.db2.gz GGUBBANQHHOHDD-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1NC(=O)c1ccc(C)cc1 ZINC000408556210 555893618 /nfs/dbraw/zinc/89/36/18/555893618.db2.gz HCJXYWUZGMJDAB-UHFFFAOYSA-N -1 1 446.528 5.210 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1 ZINC000408579537 555920617 /nfs/dbraw/zinc/92/06/17/555920617.db2.gz HLTDDBNHBMZUTL-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408593872 555959287 /nfs/dbraw/zinc/95/92/87/555959287.db2.gz QJGBJHRAWNWRKQ-UHFFFAOYSA-N -1 1 449.882 5.033 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c(C)c1 ZINC000408602146 555971331 /nfs/dbraw/zinc/97/13/31/555971331.db2.gz CMBDAARUCDOLKV-UHFFFAOYSA-N -1 1 428.598 5.255 40 0 IKABMM O=C([O-])C(=Cc1cc(Cl)cc(Cl)c1O)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000408632039 556003931 /nfs/dbraw/zinc/00/39/31/556003931.db2.gz CTJQHXLIWHQKBR-MLPAPPSSSA-N -1 1 442.711 5.355 40 0 IKABMM CCOc1ccc(Cl)cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-] ZINC000408633695 556009137 /nfs/dbraw/zinc/00/91/37/556009137.db2.gz LNUIWYGMCUHXMJ-YBEGLDIGSA-N -1 1 436.320 5.395 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000010331239 556332182 /nfs/dbraw/zinc/33/21/82/556332182.db2.gz FDISMUXWMYBMCV-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030755365 556504432 /nfs/dbraw/zinc/50/44/32/556504432.db2.gz BZUBYXPMGWSXCO-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000030849319 556508388 /nfs/dbraw/zinc/50/83/88/556508388.db2.gz YLSCIXXPBLDXHZ-GOSISDBHSA-N -1 1 440.540 5.043 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030850005 556508442 /nfs/dbraw/zinc/50/84/42/556508442.db2.gz OXJJTHNCGZSKSM-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000030860576 556511017 /nfs/dbraw/zinc/51/10/17/556511017.db2.gz PWEMSDLUXONHMN-MRXNPFEDSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000030865624 556511981 /nfs/dbraw/zinc/51/19/81/556511981.db2.gz CBPPNUNDZAUVFS-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408926950 556522851 /nfs/dbraw/zinc/52/28/51/556522851.db2.gz RUNUUZDEFAMLFP-UHFFFAOYSA-N -1 1 446.981 5.262 40 0 IKABMM O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015412501 556525178 /nfs/dbraw/zinc/52/51/78/556525178.db2.gz MJYSTJJFANSMEZ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000032017357 556528133 /nfs/dbraw/zinc/52/81/33/556528133.db2.gz KDYITKSJVDSFKM-UHFFFAOYSA-N -1 1 436.533 5.061 40 0 IKABMM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C ZINC000013680056 556556279 /nfs/dbraw/zinc/55/62/79/556556279.db2.gz UIWMAYDKQFNAER-UHFFFAOYSA-N -1 1 442.968 5.247 40 0 IKABMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016196065 556590407 /nfs/dbraw/zinc/59/04/07/556590407.db2.gz UPWXOTFLEQXKPM-LSCVHKIXSA-N -1 1 429.563 5.146 40 0 IKABMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000016450006 556609187 /nfs/dbraw/zinc/60/91/87/556609187.db2.gz XQVZDMNYCKPKBY-UHFFFAOYSA-N -1 1 444.300 5.155 40 0 IKABMM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)cc1 ZINC000100945533 556615018 /nfs/dbraw/zinc/61/50/18/556615018.db2.gz CKHWGQAGHQQPTC-GSDHBNRESA-N -1 1 434.495 5.199 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3C)c(Cl)c2)cc1 ZINC000038754294 556616934 /nfs/dbraw/zinc/61/69/34/556616934.db2.gz MPJKYBQUPSMZTF-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1nc2nc(N3CCC(C)CC3)[n-]c(=O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000040386885 556636187 /nfs/dbraw/zinc/63/61/87/556636187.db2.gz JMJZKRHZPKUVHY-UHFFFAOYSA-N -1 1 436.368 5.102 40 0 IKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccccc1)c(C)c2C ZINC000016807634 556644494 /nfs/dbraw/zinc/64/44/94/556644494.db2.gz BXVDFEABQPTKRL-UHFFFAOYSA-N -1 1 446.572 5.868 40 0 IKABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044850034 556670576 /nfs/dbraw/zinc/67/05/76/556670576.db2.gz MVJXIAKUIHEACH-UHFFFAOYSA-N -1 1 425.506 5.237 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2C)cc1 ZINC000044883334 556674720 /nfs/dbraw/zinc/67/47/20/556674720.db2.gz PTFLPJOSVGMDPT-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000044902126 556678130 /nfs/dbraw/zinc/67/81/30/556678130.db2.gz YTWWXSLANLZJFX-UHFFFAOYSA-N -1 1 431.897 5.110 40 0 IKABMM Cc1ccc(Cl)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044902788 556678527 /nfs/dbraw/zinc/67/85/27/556678527.db2.gz SMMSNLGEMCECIP-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)c1 ZINC000408922296 556891505 /nfs/dbraw/zinc/89/15/05/556891505.db2.gz ZDESBLHGYAEILG-GOSISDBHSA-N -1 1 440.590 5.056 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000408926464 556892191 /nfs/dbraw/zinc/89/21/91/556892191.db2.gz UBRIFBQJTHUFTH-UHFFFAOYSA-N -1 1 431.970 5.258 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000408924652 556892589 /nfs/dbraw/zinc/89/25/89/556892589.db2.gz LCGCIKSWMUMNBN-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)s1 ZINC000072375367 556951057 /nfs/dbraw/zinc/95/10/57/556951057.db2.gz MHKUYUWABSGWKF-KRWDZBQOSA-N -1 1 433.537 5.271 40 0 IKABMM CCc1nnc([N-]c2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 ZINC000072375652 556952139 /nfs/dbraw/zinc/95/21/39/556952139.db2.gz LMQUXXSJLTYJRW-LJQANCHMSA-N -1 1 439.560 5.065 40 0 IKABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(Cc3ccc(Br)cc3)c21 ZINC000409125796 556965153 /nfs/dbraw/zinc/96/51/53/556965153.db2.gz KLQKHXUYKJIAPV-ZDLGFXPLSA-N -1 1 441.350 5.338 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020035586 556969927 /nfs/dbraw/zinc/96/99/27/556969927.db2.gz IJRLYWSZDPCMPI-UHFFFAOYSA-N -1 1 439.602 5.738 40 0 IKABMM Cc1ccc(C)c([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020040797 556971652 /nfs/dbraw/zinc/97/16/52/556971652.db2.gz DOARXMOOSNREPZ-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020105405 556982185 /nfs/dbraw/zinc/98/21/85/556982185.db2.gz DBQJJDKLFSWSAC-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1Cl ZINC000409171701 556984057 /nfs/dbraw/zinc/98/40/57/556984057.db2.gz FKXFQUBLQDRSSH-WLRTZDKTSA-N -1 1 444.915 5.240 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020111713 556986328 /nfs/dbraw/zinc/98/63/28/556986328.db2.gz HKLSDPYOGIYBDL-UHFFFAOYSA-N -1 1 442.968 5.518 40 0 IKABMM Cc1n[nH]c(SC(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n1 ZINC000409194411 556993149 /nfs/dbraw/zinc/99/31/49/556993149.db2.gz LBDFZKUMRABQED-JAIQZWGSSA-N -1 1 438.940 5.296 40 0 IKABMM Cc1nc(SC(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n[nH]1 ZINC000409194411 556993152 /nfs/dbraw/zinc/99/31/52/556993152.db2.gz LBDFZKUMRABQED-JAIQZWGSSA-N -1 1 438.940 5.296 40 0 IKABMM Cc1n[nH]c(SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n1 ZINC000409190015 556996045 /nfs/dbraw/zinc/99/60/45/556996045.db2.gz UPXDZGHTEWYFHY-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1 ZINC000409190015 556996047 /nfs/dbraw/zinc/99/60/47/556996047.db2.gz UPXDZGHTEWYFHY-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1n[nH]c(SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])n1 ZINC000409188588 557009422 /nfs/dbraw/zinc/00/94/22/557009422.db2.gz FDUFZPYKAPTJDE-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1nc(SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])n[nH]1 ZINC000409188588 557009425 /nfs/dbraw/zinc/00/94/25/557009425.db2.gz FDUFZPYKAPTJDE-IUXPMGMMSA-N -1 1 436.320 5.217 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1 ZINC000408543043 557033654 /nfs/dbraw/zinc/03/36/54/557033654.db2.gz CCLVTAOOYYSKEA-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 ZINC000408544555 557034646 /nfs/dbraw/zinc/03/46/46/557034646.db2.gz HPRYQNYNWZCHEE-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1C ZINC000408543888 557034676 /nfs/dbraw/zinc/03/46/76/557034676.db2.gz FWJFKSJRKRPKHC-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000408547821 557035005 /nfs/dbraw/zinc/03/50/05/557035005.db2.gz NKKRFWWVFMKSEN-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408546402 557035784 /nfs/dbraw/zinc/03/57/84/557035784.db2.gz SDAFOKLEICKUCD-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557473 557037877 /nfs/dbraw/zinc/03/78/77/557037877.db2.gz MYGKUOOJEUEYOY-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccccc1C ZINC000408559526 557038833 /nfs/dbraw/zinc/03/88/33/557038833.db2.gz XPEMRRBUHSJYFV-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000408604087 557069154 /nfs/dbraw/zinc/06/91/54/557069154.db2.gz DIASFIYXFPKZTA-SANMLTNESA-N -1 1 442.559 5.026 40 0 IKABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000408604085 557069172 /nfs/dbraw/zinc/06/91/72/557069172.db2.gz DIASFIYXFPKZTA-AREMUKBSSA-N -1 1 442.559 5.026 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 ZINC000408606388 557069824 /nfs/dbraw/zinc/06/98/24/557069824.db2.gz LURCPCAFGWEEHR-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(OC(C)C)cc2)C(=O)[O-])n1 ZINC000408630548 557072655 /nfs/dbraw/zinc/07/26/55/557072655.db2.gz BLSMJVILFKGRDG-ZDLGFXPLSA-N -1 1 445.928 5.139 40 0 IKABMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(SC)cc2)C(=O)[O-])n1 ZINC000408631506 557073187 /nfs/dbraw/zinc/07/31/87/557073187.db2.gz JSSSEVWENPNROO-SXGWCWSVSA-N -1 1 433.942 5.073 40 0 IKABMM CCCOc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1 ZINC000408633267 557082030 /nfs/dbraw/zinc/08/20/30/557082030.db2.gz XJWWOSMTGJAHHS-WOJGMQOQSA-N -1 1 445.928 5.140 40 0 IKABMM CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000409410907 557103874 /nfs/dbraw/zinc/10/38/74/557103874.db2.gz AGAZMUAPNPZZCZ-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408694944 557106156 /nfs/dbraw/zinc/10/61/56/557106156.db2.gz KQOFGKCXQXGQBB-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c1 ZINC000409409274 557108280 /nfs/dbraw/zinc/10/82/80/557108280.db2.gz GRYBPZVFUIOTDO-UHFFFAOYSA-N -1 1 446.931 5.457 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409340647 557119193 /nfs/dbraw/zinc/11/91/93/557119193.db2.gz AEZSAFXKSNDPEY-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1ccc(-c2cnc3ccccc3n2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001443150 557123488 /nfs/dbraw/zinc/12/34/88/557123488.db2.gz UILHFKOBERFHRR-UHFFFAOYSA-N -1 1 444.343 5.713 40 0 IKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc32)cc1 ZINC000020766042 557128011 /nfs/dbraw/zinc/12/80/11/557128011.db2.gz FFYMDPMYTSJBKT-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000020767110 557128805 /nfs/dbraw/zinc/12/88/05/557128805.db2.gz DPPVWSOIEQSGAE-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000409361958 557137643 /nfs/dbraw/zinc/13/76/43/557137643.db2.gz RFGIHUNVIBHEJZ-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1ccc(-c2[n-][nH]c(=O)c2C(c2cccs2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)cc1 ZINC000409368157 557138170 /nfs/dbraw/zinc/13/81/70/557138170.db2.gz NQZYRHGKLWKHOF-UHFFFAOYSA-N -1 1 442.544 5.737 40 0 IKABMM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305938 557139385 /nfs/dbraw/zinc/13/93/85/557139385.db2.gz RYEWKJIENGJAMQ-IZZDOVSWSA-N -1 1 447.343 5.446 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1C ZINC000409380891 557140585 /nfs/dbraw/zinc/14/05/85/557140585.db2.gz JPASOVCYASNWAV-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1 ZINC000409380472 557140722 /nfs/dbraw/zinc/14/07/22/557140722.db2.gz FDAQXEBEKXXIDX-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 ZINC000409381249 557141005 /nfs/dbraw/zinc/14/10/05/557141005.db2.gz LDHLBGYJTZMAOK-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000408734164 557141842 /nfs/dbraw/zinc/14/18/42/557141842.db2.gz FAOIWQLCBJSTTJ-UHFFFAOYSA-N -1 1 446.572 6.229 40 0 IKABMM COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2OC)cc1 ZINC000408734755 557142385 /nfs/dbraw/zinc/14/23/85/557142385.db2.gz JENFJDVMNSSQRR-UHFFFAOYSA-N -1 1 448.544 5.539 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000216331485 557143410 /nfs/dbraw/zinc/14/34/10/557143410.db2.gz YEICQXHFAJVDHC-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000216373459 557144591 /nfs/dbraw/zinc/14/45/91/557144591.db2.gz FSZFPYMDRWQFMQ-UHFFFAOYSA-N -1 1 446.528 5.210 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)c1 ZINC000409408365 557144868 /nfs/dbraw/zinc/14/48/68/557144868.db2.gz CBCHJPUJQYOSKB-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000409406316 557144935 /nfs/dbraw/zinc/14/49/35/557144935.db2.gz BOQZCNQCRPUXEI-UHFFFAOYSA-N -1 1 440.590 5.387 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1 ZINC000216441328 557146317 /nfs/dbraw/zinc/14/63/17/557146317.db2.gz DPXSZOPBKNLVNV-XMMPIXPASA-N -1 1 436.577 5.313 40 0 IKABMM CSc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000216456488 557147071 /nfs/dbraw/zinc/14/70/71/557147071.db2.gz ANRHLJBIIAGABQ-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F)c1ccc(Cl)cc1 ZINC000008810060 557171455 /nfs/dbraw/zinc/17/14/55/557171455.db2.gz BKZMHWKDLDUMKX-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c(C)c1 ZINC000008810045 557171493 /nfs/dbraw/zinc/17/14/93/557171493.db2.gz MPWNDAGTMZNJHK-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810206 557171715 /nfs/dbraw/zinc/17/17/15/557171715.db2.gz ORBMLDOYAWRDJR-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F)c1cccc(Cl)c1 ZINC000008810218 557172030 /nfs/dbraw/zinc/17/20/30/557172030.db2.gz LKMBYIBNEWPZJQ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F)c1cccc(Cl)c1 ZINC000008810219 557172195 /nfs/dbraw/zinc/17/21/95/557172195.db2.gz NYBFNVGFKAZHRZ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 ZINC000008810369 557172457 /nfs/dbraw/zinc/17/24/57/557172457.db2.gz YKOKRUIRNSJJCO-UHFFFAOYSA-N -1 1 432.904 5.095 40 0 IKABMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c(C)c1 ZINC000008810459 557172869 /nfs/dbraw/zinc/17/28/69/557172869.db2.gz PTSBRGJBOFKZDH-UHFFFAOYSA-N -1 1 446.931 5.457 40 0 IKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 ZINC000008810756 557173250 /nfs/dbraw/zinc/17/32/50/557173250.db2.gz YVOJHXSWRCEWGR-UHFFFAOYSA-N -1 1 444.503 5.450 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022109758 557177930 /nfs/dbraw/zinc/17/79/30/557177930.db2.gz BQNAMUZMWDLYNM-UHFFFAOYSA-N -1 1 438.984 6.022 40 0 IKABMM COc1cc(CNn2c(-c3ccccc3)n[n-]c2=S)ccc1OCc1ccccc1F ZINC000022110055 557178226 /nfs/dbraw/zinc/17/82/26/557178226.db2.gz LNGYYLLJKICRSX-UHFFFAOYSA-N -1 1 436.512 5.078 40 0 IKABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000022110070 557178280 /nfs/dbraw/zinc/17/82/80/557178280.db2.gz DUQNUEAQALJGQE-UHFFFAOYSA-N -1 1 432.549 5.329 40 0 IKABMM COc1cccc(CNn2c(-c3ccccc3)n[n-]c2=S)c1OCc1ccc(F)cc1 ZINC000022110065 557178388 /nfs/dbraw/zinc/17/83/88/557178388.db2.gz SUFWSWJPKDOGAN-UHFFFAOYSA-N -1 1 436.512 5.078 40 0 IKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000022110856 557178702 /nfs/dbraw/zinc/17/87/02/557178702.db2.gz JVZRKXYWQJOVGJ-UHFFFAOYSA-N -1 1 436.512 5.078 40 0 IKABMM S=c1[n-]nc(-c2ccncc2)n1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022110670 557178839 /nfs/dbraw/zinc/17/88/39/557178839.db2.gz PPMCLEDUGNGBRQ-UHFFFAOYSA-N -1 1 439.544 5.479 40 0 IKABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022111369 557179090 /nfs/dbraw/zinc/17/90/90/557179090.db2.gz HXKHOSMTOWBRJY-UHFFFAOYSA-N -1 1 427.327 5.374 40 0 IKABMM S=c1[n-]ncn1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022111769 557179410 /nfs/dbraw/zinc/17/94/10/557179410.db2.gz AORRDEQFTPEVMW-UHFFFAOYSA-N -1 1 431.348 5.723 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1 ZINC000010112462 557204733 /nfs/dbraw/zinc/20/47/33/557204733.db2.gz FPUDJABSIRBANO-IBGZPJMESA-N -1 1 434.561 5.004 40 0 IKABMM Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314862 557216032 /nfs/dbraw/zinc/21/60/32/557216032.db2.gz OZPUBNCEDPYINZ-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM CCCc1cc(=O)[n-]c(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 ZINC000032117962 557303071 /nfs/dbraw/zinc/30/30/71/557303071.db2.gz IOGGGQLWDSFMLU-UHFFFAOYSA-N -1 1 427.957 5.229 40 0 biogenic,in-vitro IKABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000222932766 557404769 /nfs/dbraw/zinc/40/47/69/557404769.db2.gz YKNJVOVAUSQYRM-IBGZPJMESA-N -1 1 448.588 5.166 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2)cc1 ZINC000222942639 557406309 /nfs/dbraw/zinc/40/63/09/557406309.db2.gz BVAATFISNLOYPD-LJQANCHMSA-N -1 1 448.588 5.166 40 0 IKABMM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000222943178 557406535 /nfs/dbraw/zinc/40/65/35/557406535.db2.gz JWCAXYLBWHKADM-IBGZPJMESA-N -1 1 448.588 5.166 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1 ZINC000014154029 557425842 /nfs/dbraw/zinc/42/58/42/557425842.db2.gz PHAFXIFAKLLEIV-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1C ZINC000014154551 557426203 /nfs/dbraw/zinc/42/62/03/557426203.db2.gz LVGGDOBNMPZZKC-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 ZINC000014154906 557426498 /nfs/dbraw/zinc/42/64/98/557426498.db2.gz ADPYTQGWIAWTRQ-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000014155203 557426791 /nfs/dbraw/zinc/42/67/91/557426791.db2.gz CKRGVFQVOTXCPD-UHFFFAOYSA-N -1 1 436.577 5.481 40 0 IKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014155801 557427528 /nfs/dbraw/zinc/42/75/28/557427528.db2.gz PJGACHSOAPSJJZ-RIYZIHGNSA-N -1 1 440.952 5.410 40 0 IKABMM CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)c1 ZINC000014270142 557429380 /nfs/dbraw/zinc/42/93/80/557429380.db2.gz RSGKUSPXXOMKFZ-UHFFFAOYSA-N -1 1 447.516 5.034 40 0 IKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3[O-])oc2c(C)c1 ZINC000014270171 557429405 /nfs/dbraw/zinc/42/94/05/557429405.db2.gz QRDGJRNCDDPEAB-UHFFFAOYSA-N -1 1 445.544 5.561 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223182125 557442733 /nfs/dbraw/zinc/44/27/33/557442733.db2.gz XDSQXJUZYMMFSU-LJQANCHMSA-N -1 1 448.588 5.084 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 ZINC000223192772 557444074 /nfs/dbraw/zinc/44/40/74/557444074.db2.gz SWGHMVZTXOHNID-LJQANCHMSA-N -1 1 448.588 5.084 40 0 IKABMM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4cccc5ccccc54)ccc32)cc1 ZINC000223374919 557464276 /nfs/dbraw/zinc/46/42/76/557464276.db2.gz HHVYMBKXPVPNED-UHFFFAOYSA-N -1 1 442.540 5.152 40 0 IKABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223377522 557464821 /nfs/dbraw/zinc/46/48/21/557464821.db2.gz VMYFDSDECODFOU-UHFFFAOYSA-N -1 1 448.588 5.124 40 0 IKABMM COC(=O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223414564 557468935 /nfs/dbraw/zinc/46/89/35/557468935.db2.gz HRJMKVXDHPTQQD-UHFFFAOYSA-N -1 1 448.972 5.230 40 0 IKABMM CCC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000223425674 557470979 /nfs/dbraw/zinc/47/09/79/557470979.db2.gz XZPYGGIDLVHMJH-HNNXBMFYSA-N -1 1 438.977 5.307 40 0 IKABMM Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000223426642 557471037 /nfs/dbraw/zinc/47/10/37/557471037.db2.gz VLJDFVFIENYULW-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223426428 557471063 /nfs/dbraw/zinc/47/10/63/557471063.db2.gz CJOSXTMCGIKGTA-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c2)cc1 ZINC000223436202 557471822 /nfs/dbraw/zinc/47/18/22/557471822.db2.gz FWRVIPNHEMFKBG-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1C ZINC000223437275 557471995 /nfs/dbraw/zinc/47/19/95/557471995.db2.gz XEEKCNNZLWZEEC-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1C ZINC000223436867 557472031 /nfs/dbraw/zinc/47/20/31/557472031.db2.gz OCWHPGJHGAAGCS-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3[O-])oc2c1 ZINC000017096517 557476589 /nfs/dbraw/zinc/47/65/89/557476589.db2.gz SVQHWMGXLRCPRQ-XYOKQWHBSA-N -1 1 429.501 5.035 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3[O-])oc2c1 ZINC000017097534 557479222 /nfs/dbraw/zinc/47/92/22/557479222.db2.gz HNTQIUWKNVNFGP-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3[O-])nc2c1 ZINC000017097549 557479274 /nfs/dbraw/zinc/47/92/74/557479274.db2.gz MGGPOVADELQHSF-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3[O-])nc2c1 ZINC000017099495 557483072 /nfs/dbraw/zinc/48/30/72/557483072.db2.gz NXRBDGALMJNSPX-UHFFFAOYSA-N -1 1 435.480 5.029 40 0 IKABMM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3[O-])oc2c(C)c1 ZINC000017099502 557483305 /nfs/dbraw/zinc/48/33/05/557483305.db2.gz WMEOMPLJPDOLHK-UHFFFAOYSA-N -1 1 435.480 5.083 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000223540197 557483344 /nfs/dbraw/zinc/48/33/44/557483344.db2.gz DVUQMXFTOYAVAI-LJQANCHMSA-N -1 1 436.577 5.158 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3[O-])oc2c1 ZINC000017101761 557490604 /nfs/dbraw/zinc/49/06/04/557490604.db2.gz DSVPJMLDJSBYJF-UHFFFAOYSA-N -1 1 437.908 5.289 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000223942533 557531894 /nfs/dbraw/zinc/53/18/94/557531894.db2.gz UUSBVIYJKNHHEV-DEOSSOPVSA-N -1 1 436.577 5.313 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000223948988 557532951 /nfs/dbraw/zinc/53/29/51/557532951.db2.gz FRARICRDSZTASE-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1C ZINC000223952703 557533610 /nfs/dbraw/zinc/53/36/10/557533610.db2.gz IVOQYDADEVOUJG-DEOSSOPVSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000223955889 557534065 /nfs/dbraw/zinc/53/40/65/557534065.db2.gz HLLIUUKNBPUINR-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223957561 557534267 /nfs/dbraw/zinc/53/42/67/557534267.db2.gz YRHILEVGECEQBX-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)cc1 ZINC000223959601 557534492 /nfs/dbraw/zinc/53/44/92/557534492.db2.gz SQVBBLCCEXDMKF-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)c(C)c1 ZINC000223959027 557534523 /nfs/dbraw/zinc/53/45/23/557534523.db2.gz YXQHLNNZVXROLI-XMMPIXPASA-N -1 1 436.577 5.294 40 0 IKABMM O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223965217 557535565 /nfs/dbraw/zinc/53/55/65/557535565.db2.gz CJBOZFDFTOHOAG-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(C)C)c(C)c1 ZINC000223971170 557536653 /nfs/dbraw/zinc/53/66/53/557536653.db2.gz KIXYKZPLEDQJGS-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM CC(C)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223973022 557536961 /nfs/dbraw/zinc/53/69/61/557536961.db2.gz OVIAZVHVYUMWLQ-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223976432 557537475 /nfs/dbraw/zinc/53/74/75/557537475.db2.gz ICFWWKKWEPNHOL-UHFFFAOYSA-N -1 1 442.968 5.736 40 0 IKABMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975409 557537530 /nfs/dbraw/zinc/53/75/30/557537530.db2.gz WQMXFMYUPDZBAJ-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM Cc1c(Cl)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974909 557537589 /nfs/dbraw/zinc/53/75/89/557537589.db2.gz LFGOXVUCWRAPQN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223977938 557538056 /nfs/dbraw/zinc/53/80/56/557538056.db2.gz IGNBNWWLMDVUBN-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM O=C(NCCC1CCCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223979266 557538357 /nfs/dbraw/zinc/53/83/57/557538357.db2.gz YRXGBUPAVSVVCQ-UHFFFAOYSA-N -1 1 434.989 5.231 40 0 IKABMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223979847 557538660 /nfs/dbraw/zinc/53/86/60/557538660.db2.gz SBQCPOUSAZGBGB-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000223993270 557540970 /nfs/dbraw/zinc/54/09/70/557540970.db2.gz LGZKRVQOWWJMKW-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000223992929 557540980 /nfs/dbraw/zinc/54/09/80/557540980.db2.gz PCDKKEJDRSGUAB-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000223995163 557541369 /nfs/dbraw/zinc/54/13/69/557541369.db2.gz AUVVJJDYPJWFEU-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 ZINC000223997984 557541590 /nfs/dbraw/zinc/54/15/90/557541590.db2.gz WKWPTOKHEMBARN-QGZVFWFLSA-N -1 1 440.590 5.009 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CCCCCC3)cc2)cc1 ZINC000223997854 557541625 /nfs/dbraw/zinc/54/16/25/557541625.db2.gz RRTIUNVEFIHPPE-UHFFFAOYSA-N -1 1 446.638 5.300 40 0 IKABMM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1)C(C)C ZINC000224000347 557542229 /nfs/dbraw/zinc/54/22/29/557542229.db2.gz QKTGXOKMTHRBRV-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM Cc1cc(C(=O)Nc2ccccc2Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224003228 557542399 /nfs/dbraw/zinc/54/23/99/557542399.db2.gz PKMLZAFXSXXZND-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224003899 557542419 /nfs/dbraw/zinc/54/24/19/557542419.db2.gz ICAFDSDKFBKCNH-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1C ZINC000224003827 557542427 /nfs/dbraw/zinc/54/24/27/557542427.db2.gz RESPZOWGQKOMQO-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCOc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224003609 557542448 /nfs/dbraw/zinc/54/24/48/557542448.db2.gz CRPUCPFVHZATGK-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1cc(C(=O)NCc2ccccc2Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224006525 557542872 /nfs/dbraw/zinc/54/28/72/557542872.db2.gz KIFQFWQPHSLKFS-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM CSc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224005992 557542929 /nfs/dbraw/zinc/54/29/29/557542929.db2.gz OEZWOEQONBSSRI-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224008104 557543151 /nfs/dbraw/zinc/54/31/51/557543151.db2.gz JNDUONSVDGLPHZ-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000224007795 557543186 /nfs/dbraw/zinc/54/31/86/557543186.db2.gz ITXGTLPGMNLXJI-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 ZINC000224012475 557544144 /nfs/dbraw/zinc/54/41/44/557544144.db2.gz NACZDHVCTINPQC-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccccc3C)c(Cl)c2)cc1 ZINC000224016697 557545118 /nfs/dbraw/zinc/54/51/18/557545118.db2.gz NYEHSHVRYLQLSW-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccccc3C)c(Cl)c2)cc1 ZINC000224016761 557545128 /nfs/dbraw/zinc/54/51/28/557545128.db2.gz NYEHSHVRYLQLSW-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CCCCCC3)c(Cl)c2)cc1 ZINC000224016618 557545150 /nfs/dbraw/zinc/54/51/50/557545150.db2.gz OCKOAFAPXVVYHZ-UHFFFAOYSA-N -1 1 449.016 5.540 40 0 IKABMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 ZINC000224020393 557545944 /nfs/dbraw/zinc/54/59/44/557545944.db2.gz HXMDMJHVJJPKNG-UHFFFAOYSA-N -1 1 435.332 5.071 40 0 IKABMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl ZINC000224030782 557547889 /nfs/dbraw/zinc/54/78/89/557547889.db2.gz RJPDQRFXMFYGNO-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1c(Cl)cccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224030710 557547927 /nfs/dbraw/zinc/54/79/27/557547927.db2.gz MNEJDHGNYXMJQY-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224031521 557548147 /nfs/dbraw/zinc/54/81/47/557548147.db2.gz RLBPFSFPJKEVNY-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C ZINC000224047482 557551387 /nfs/dbraw/zinc/55/13/87/557551387.db2.gz FKRSPSBPWOKTPH-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3OC(C)C)ccc2C)cc1 ZINC000224047213 557551406 /nfs/dbraw/zinc/55/14/06/557551406.db2.gz QUWIWFRIDSEARL-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM CCc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224049687 557551715 /nfs/dbraw/zinc/55/17/15/557551715.db2.gz XGAVSPSJKOOJMS-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224049438 557551741 /nfs/dbraw/zinc/55/17/41/557551741.db2.gz VWZMABUZLYWUAF-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000224050444 557551882 /nfs/dbraw/zinc/55/18/82/557551882.db2.gz LPZBCSXPAHCLMK-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224053060 557552196 /nfs/dbraw/zinc/55/21/96/557552196.db2.gz IJGURYRFDJPGTN-UHFFFAOYSA-N -1 1 442.968 5.572 40 0 IKABMM Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224052070 557552239 /nfs/dbraw/zinc/55/22/39/557552239.db2.gz JZXJEZDHKJOFCV-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000224054699 557552426 /nfs/dbraw/zinc/55/24/26/557552426.db2.gz LWPXYUQMGXROPF-NRFANRHFSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224055051 557552705 /nfs/dbraw/zinc/55/27/05/557552705.db2.gz ODYZGZDJFYWYHR-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224055106 557552721 /nfs/dbraw/zinc/55/27/21/557552721.db2.gz ODYZGZDJFYWYHR-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM O=C(NCCC1CCCCCC1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063022 557553625 /nfs/dbraw/zinc/55/36/25/557553625.db2.gz FXWRDCPMVGZSEE-UHFFFAOYSA-N -1 1 434.989 5.231 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 ZINC000224063948 557553905 /nfs/dbraw/zinc/55/39/05/557553905.db2.gz UDOHFYGJLDSMSO-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM O=C(NC1CCCCCC1)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067334 557554687 /nfs/dbraw/zinc/55/46/87/557554687.db2.gz NAZBCGHZBVYPCT-UHFFFAOYSA-N -1 1 441.380 5.247 40 0 IKABMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224075136 557555928 /nfs/dbraw/zinc/55/59/28/557555928.db2.gz YPTHJPUBHULAGR-UHFFFAOYSA-N -1 1 436.577 5.057 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc4ccccc43)c2)cc1 ZINC000224079466 557557149 /nfs/dbraw/zinc/55/71/49/557557149.db2.gz SLQCUTWYQRMYTL-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CC(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1 ZINC000224080871 557557426 /nfs/dbraw/zinc/55/74/26/557557426.db2.gz CSCYIMOWVJVGCT-UHFFFAOYSA-N -1 1 440.540 5.022 40 0 IKABMM Cc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224090248 557559332 /nfs/dbraw/zinc/55/93/32/557559332.db2.gz YBOPIMDFXWVNEM-UHFFFAOYSA-N -1 1 442.540 5.300 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C(C)C)cc3)cc2C)cc1 ZINC000224089867 557559391 /nfs/dbraw/zinc/55/93/91/557559391.db2.gz PFRXEFAMOFYITO-UHFFFAOYSA-N -1 1 436.577 5.158 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000224093359 557559818 /nfs/dbraw/zinc/55/98/18/557559818.db2.gz KRMWAEHFQQXOLG-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224095834 557560076 /nfs/dbraw/zinc/56/00/76/557560076.db2.gz JQDREMRVBFCGNV-UHFFFAOYSA-N -1 1 436.577 5.023 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(C(C)C)cc3)ccc2C)cc1 ZINC000224100861 557560912 /nfs/dbraw/zinc/56/09/12/557560912.db2.gz LMOFJPOFAPLTEU-UHFFFAOYSA-N -1 1 436.577 5.158 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3ccccc3Cl)ccc2C)cc1 ZINC000224101098 557560928 /nfs/dbraw/zinc/56/09/28/557560928.db2.gz MAFKCEQUNFWLKB-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3cccc(Cl)c3)c2)cc1 ZINC000224104811 557561693 /nfs/dbraw/zinc/56/16/93/557561693.db2.gz IWHHGYHCDLWVNY-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224535259 557617754 /nfs/dbraw/zinc/61/77/54/557617754.db2.gz QXHLMLZJFAYHPQ-UHFFFAOYSA-N -1 1 446.981 5.013 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000224534642 557617791 /nfs/dbraw/zinc/61/77/91/557617791.db2.gz VYHJLDWBYCUPSM-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224554588 557622148 /nfs/dbraw/zinc/62/21/48/557622148.db2.gz GWTAKVSWKVGYFV-GOSISDBHSA-N -1 1 446.528 5.047 40 0 IKABMM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224554742 557622377 /nfs/dbraw/zinc/62/23/77/557622377.db2.gz VMCWDUJMCRGUAP-SFHVURJKSA-N -1 1 446.528 5.047 40 0 IKABMM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000224560211 557623428 /nfs/dbraw/zinc/62/34/28/557623428.db2.gz KRBLEPJJJNGGFE-SFHVURJKSA-N -1 1 446.528 5.047 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000224566283 557624416 /nfs/dbraw/zinc/62/44/16/557624416.db2.gz IOXLJLUOENRXQW-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c1 ZINC000224565891 557624438 /nfs/dbraw/zinc/62/44/38/557624438.db2.gz UALVOBQFLVLSGK-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000224607859 557630377 /nfs/dbraw/zinc/63/03/77/557630377.db2.gz FGBMPTANUYTTGH-IBGZPJMESA-N -1 1 436.577 5.158 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224957876 557671155 /nfs/dbraw/zinc/67/11/55/557671155.db2.gz VWYHLUXAGKIWCX-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224957716 557671235 /nfs/dbraw/zinc/67/12/35/557671235.db2.gz RAZBGCMCXPFCTB-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000225052282 557683143 /nfs/dbraw/zinc/68/31/43/557683143.db2.gz LEURGVITCHOOBI-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1NC(C)=O ZINC000225151180 557692771 /nfs/dbraw/zinc/69/27/71/557692771.db2.gz QDQDDFNZJRSSKQ-UHFFFAOYSA-N -1 1 426.519 5.067 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1NC(=O)C(C)C ZINC000225251623 557705220 /nfs/dbraw/zinc/70/52/20/557705220.db2.gz MHGSHZQFYKCCCB-UHFFFAOYSA-N -1 1 448.610 5.125 40 0 IKABMM O=c1sc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2n1Cc1ccccc1 ZINC000225738763 557770913 /nfs/dbraw/zinc/77/09/13/557770913.db2.gz WNHLJDSCFNTOCR-UHFFFAOYSA-N -1 1 446.553 5.065 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)c1 ZINC000033535048 557808293 /nfs/dbraw/zinc/80/82/93/557808293.db2.gz XIQGLXSBROQWHB-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000033707918 557809215 /nfs/dbraw/zinc/80/92/15/557809215.db2.gz FZHCGNNYPFHVSK-SXGWCWSVSA-N -1 1 440.373 6.300 40 0 IKABMM Cc1cc([O-])c([C@@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000006418422 569158354 /nfs/dbraw/zinc/15/83/54/569158354.db2.gz ILDJNMVFIVMEQZ-HXUWFJFHSA-N -1 1 426.578 6.196 40 0 IKABMM Cc1cc([O-])c([C@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)o1 ZINC000006418424 569158371 /nfs/dbraw/zinc/15/83/71/569158371.db2.gz ILDJNMVFIVMEQZ-FQEVSTJZSA-N -1 1 426.578 6.196 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1 ZINC000010314519 569222539 /nfs/dbraw/zinc/22/25/39/569222539.db2.gz OMUMROUWQJUKPO-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000010314526 569222560 /nfs/dbraw/zinc/22/25/60/569222560.db2.gz IBQQWHRHMRPWOA-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2C)cc1 ZINC000010314568 569222565 /nfs/dbraw/zinc/22/25/65/569222565.db2.gz HFNSKYIKGFWXMT-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2C)cc1 ZINC000010314753 569222571 /nfs/dbraw/zinc/22/25/71/569222571.db2.gz STANYOVWDGGTKC-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010315152 569222703 /nfs/dbraw/zinc/22/27/03/569222703.db2.gz QKSXHTUVXOPJNY-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C)cc1 ZINC000010314872 569222709 /nfs/dbraw/zinc/22/27/09/569222709.db2.gz MKCQDLWEYMTFFC-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM O=C(Nc1ccccc1-c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010315115 569222742 /nfs/dbraw/zinc/22/27/42/569222742.db2.gz LNZTZVLWTBSIFE-UHFFFAOYSA-N -1 1 428.513 5.407 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 ZINC000010315316 569222772 /nfs/dbraw/zinc/22/27/72/569222772.db2.gz CWIQBPFOGOVLIB-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)cc1 ZINC000010328617 569223178 /nfs/dbraw/zinc/22/31/78/569223178.db2.gz QRNTYJQHWNHZIQ-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c(Cl)cccc3Cl)c2C)cc1 ZINC000010336045 569223532 /nfs/dbraw/zinc/22/35/32/569223532.db2.gz MSELTKAULIZTGW-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010359113 569223728 /nfs/dbraw/zinc/22/37/28/569223728.db2.gz AKLCCKIVBVGCEH-UHFFFAOYSA-N -1 1 436.577 5.699 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2C)cc1 ZINC000010362038 569223786 /nfs/dbraw/zinc/22/37/86/569223786.db2.gz BXZLZVCUMMVWLF-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM COc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000010365408 569223895 /nfs/dbraw/zinc/22/38/95/569223895.db2.gz NOBDLTWOWLALIQ-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 ZINC000010368932 569223918 /nfs/dbraw/zinc/22/39/18/569223918.db2.gz DVHHPROBCQJDIT-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010365934 569223930 /nfs/dbraw/zinc/22/39/30/569223930.db2.gz QOIQABJUGHEZKT-UHFFFAOYSA-N -1 1 436.577 5.481 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 ZINC000010367261 569223935 /nfs/dbraw/zinc/22/39/35/569223935.db2.gz HBBLVAVOMOGENH-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000026120324 569242637 /nfs/dbraw/zinc/24/26/37/569242637.db2.gz WBHQAUBOMOHVPK-UHFFFAOYSA-N -1 1 446.638 5.151 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206936 569242762 /nfs/dbraw/zinc/24/27/62/569242762.db2.gz RJJBVYBJEVZZJX-INIZCTEOSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206933 569242771 /nfs/dbraw/zinc/24/27/71/569242771.db2.gz RJJBVYBJEVZZJX-MRXNPFEDSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 ZINC000033662559 569245597 /nfs/dbraw/zinc/24/55/97/569245597.db2.gz VOSFWOZDORDMML-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Br)c1[O-] ZINC000104563135 569250307 /nfs/dbraw/zinc/25/03/07/569250307.db2.gz DJPJRHQGDBJCCU-UHFFFAOYSA-N -1 1 449.370 5.177 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000138404824 569253805 /nfs/dbraw/zinc/25/38/05/569253805.db2.gz VDYVYZQLQJECNU-XNTDXEJSSA-N -1 1 426.925 5.101 40 0 IKABMM O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000247513983 569270050 /nfs/dbraw/zinc/27/00/50/569270050.db2.gz UZSFPFZYEGTFLC-UHFFFAOYSA-N -1 1 442.540 5.007 40 0 IKABMM O=C([O-])c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 ZINC000257298247 569278552 /nfs/dbraw/zinc/27/85/52/569278552.db2.gz RKVRHOWZIHUIHM-VWLOTQADSA-N -1 1 434.967 5.946 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCNc3ccc(Cl)cc3)cc2)cc1 ZINC000008783521 569290617 /nfs/dbraw/zinc/29/06/17/569290617.db2.gz OOKYPJWTFDPJGB-UHFFFAOYSA-N -1 1 428.941 5.134 40 0 IKABMM C[C@]1(c2ccccc2)CC(n2c3ccccc3c3ccccc32)=NC(SCC(=O)[O-])=N1 ZINC000008856014 569291376 /nfs/dbraw/zinc/29/13/76/569291376.db2.gz XZYLZFUUIXGASZ-RUZDIDTESA-N -1 1 427.529 5.534 40 0 IKABMM CC(C)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020456308 519837705 /nfs/dbraw/zinc/83/77/05/519837705.db2.gz HTVGLWFZKVWUEY-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc2sc1=O ZINC000225702901 519926769 /nfs/dbraw/zinc/92/67/69/519926769.db2.gz HPXHNLNEPJKKRO-UHFFFAOYSA-N -1 1 440.546 5.237 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000020482755 521777517 /nfs/dbraw/zinc/77/75/17/521777517.db2.gz GFCXCECRUCPGLK-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000020459661 521778842 /nfs/dbraw/zinc/77/88/42/521778842.db2.gz QWBKNCOPUGCFHK-UHFFFAOYSA-N -1 1 440.590 5.469 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(C)cc1 ZINC000022535351 522531896 /nfs/dbraw/zinc/53/18/96/522531896.db2.gz PVDBDFNKVHUYDB-QFIPXVFZSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1)c1ccccc1 ZINC000020483027 522783142 /nfs/dbraw/zinc/78/31/42/522783142.db2.gz ZKHMRXSEQKOGJS-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C)cc1 ZINC000020487492 522787705 /nfs/dbraw/zinc/78/77/05/522787705.db2.gz RZFJRQLFSKUETF-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020484789 523992318 /nfs/dbraw/zinc/99/23/18/523992318.db2.gz QKMXYNDUUAOZIR-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022510125 524241206 /nfs/dbraw/zinc/24/12/06/524241206.db2.gz ADWCWJXIYIAWKZ-UHFFFAOYSA-N -1 1 442.968 5.825 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 ZINC000020490661 524439434 /nfs/dbraw/zinc/43/94/34/524439434.db2.gz WKXQOTHHEKKYKG-XMMPIXPASA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl ZINC000020486764 525233607 /nfs/dbraw/zinc/23/36/07/525233607.db2.gz XTTGIYMSQJIEME-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 ZINC000020484931 525295859 /nfs/dbraw/zinc/29/58/59/525295859.db2.gz CJWXKSNMBPJUCG-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000020491401 525604183 /nfs/dbraw/zinc/60/41/83/525604183.db2.gz HDXDBPSUOTWCQG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 ZINC000020490064 525715238 /nfs/dbraw/zinc/71/52/38/525715238.db2.gz DXJPEVAPARSGKX-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2cc1[O-] ZINC000009035665 555506985 /nfs/dbraw/zinc/50/69/85/555506985.db2.gz BHCKYZWVJIBVTJ-UHFFFAOYSA-N -1 1 434.319 6.181 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCc4ccccc4)o3)cc2)cc1 ZINC000000897040 555580264 /nfs/dbraw/zinc/58/02/64/555580264.db2.gz MXSNWMUEHRJJCX-UHFFFAOYSA-N -1 1 437.546 5.138 40 0 IKABMM Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c(C)c1 ZINC000001844510 555720080 /nfs/dbraw/zinc/72/00/80/555720080.db2.gz RPGPFWRLCIAFAG-UHFFFAOYSA-N -1 1 445.544 5.561 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 ZINC000408544768 555792780 /nfs/dbraw/zinc/79/27/80/555792780.db2.gz JKWIACVTRMLNOO-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl ZINC000408612341 555977396 /nfs/dbraw/zinc/97/73/96/555977396.db2.gz UZJPKOJZIGYTQA-UHFFFAOYSA-N -1 1 440.908 5.448 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1C ZINC000408630421 556001470 /nfs/dbraw/zinc/00/14/70/556001470.db2.gz UGXMXFOHYYEBKL-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM CCCCc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010333851 556332557 /nfs/dbraw/zinc/33/25/57/556332557.db2.gz SJUNIBXNZFJLFC-UHFFFAOYSA-N -1 1 436.577 5.699 40 0 IKABMM Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010360076 556333392 /nfs/dbraw/zinc/33/33/92/556333392.db2.gz FKQGQAJAFLIJAK-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000408905875 556492954 /nfs/dbraw/zinc/49/29/54/556492954.db2.gz AJOFKSXNCWMKJC-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000030753286 556503604 /nfs/dbraw/zinc/50/36/04/556503604.db2.gz SQFDETCSTBSXIV-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000030756230 556504859 /nfs/dbraw/zinc/50/48/59/556504859.db2.gz KOBHVYCNBMCOFW-UHFFFAOYSA-N -1 1 442.968 5.572 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000030847794 556507744 /nfs/dbraw/zinc/50/77/44/556507744.db2.gz DQXCZQZTAYLLDT-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000030853982 556509592 /nfs/dbraw/zinc/50/95/92/556509592.db2.gz WOYCGAPBSKYBTP-UHFFFAOYSA-N -1 1 446.528 5.210 40 0 IKABMM COc1ccc(C)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030863666 556511703 /nfs/dbraw/zinc/51/17/03/556511703.db2.gz KQBTYMCZSPKVMY-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1 ZINC000030867457 556512485 /nfs/dbraw/zinc/51/24/85/556512485.db2.gz BUJZGILCVLTFEV-UHFFFAOYSA-N -1 1 427.831 5.952 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 ZINC000015588105 556536043 /nfs/dbraw/zinc/53/60/43/556536043.db2.gz USLOIYNACSLDEC-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015588193 556536156 /nfs/dbraw/zinc/53/61/56/556536156.db2.gz SILQSILSCWPSFN-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CC(C)(C)OC(=O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000015722352 556545326 /nfs/dbraw/zinc/54/53/26/556545326.db2.gz NYRSZLHHHLKYST-DEOSSOPVSA-N -1 1 445.559 5.143 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)cc1C ZINC000013667709 556548670 /nfs/dbraw/zinc/54/86/70/556548670.db2.gz RTOBZBSAYIAHGG-LJQANCHMSA-N -1 1 434.561 5.004 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1OC ZINC000013674363 556554045 /nfs/dbraw/zinc/55/40/45/556554045.db2.gz PPUMFIZZJREILO-UHFFFAOYSA-N -1 1 449.981 5.450 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1C ZINC000013675757 556554211 /nfs/dbraw/zinc/55/42/11/556554211.db2.gz BGYXSHICSCWPOK-GOSISDBHSA-N -1 1 434.561 5.004 40 0 IKABMM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100914565 556602283 /nfs/dbraw/zinc/60/22/83/556602283.db2.gz FWPXXWJCAFWHHE-VABKMULXSA-N -1 1 432.907 5.008 40 0 IKABMM O=C(Nc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1)c1ccc2ccccc2c1[O-] ZINC000016526029 556614378 /nfs/dbraw/zinc/61/43/78/556614378.db2.gz HVNDDKMMPYPWHS-UHFFFAOYSA-N -1 1 448.478 5.909 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 ZINC000038756538 556618306 /nfs/dbraw/zinc/61/83/06/556618306.db2.gz XSQMGRXJFQDOFG-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 ZINC000038756540 556618343 /nfs/dbraw/zinc/61/83/43/556618343.db2.gz XSQMGRXJFQDOFG-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM CCOc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1 ZINC000016693095 556627942 /nfs/dbraw/zinc/62/79/42/556627942.db2.gz ASEQOQKGACSZKE-UHFFFAOYSA-N -1 1 444.965 5.816 40 0 IKABMM Cc1nc2nc(N3CCC(C)CC3)[n-]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 ZINC000040386886 556636093 /nfs/dbraw/zinc/63/60/93/556636093.db2.gz BVZPXTTYMLHYQT-UHFFFAOYSA-N -1 1 436.368 5.102 40 0 IKABMM 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557037269 /nfs/dbraw/zinc/03/72/69/557037269.db2.gz GYRNKTDCMDZMBF-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000408611141 557065171 /nfs/dbraw/zinc/06/51/71/557065171.db2.gz SBWZGDRLQBKDCW-UHFFFAOYSA-N -1 1 440.908 5.448 40 0 IKABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 ZINC000408613555 557067947 /nfs/dbraw/zinc/06/79/47/557067947.db2.gz YBDZETLKRIRLNH-SANMLTNESA-N -1 1 442.559 5.026 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2C)c1 ZINC000408625527 557071712 /nfs/dbraw/zinc/07/17/12/557071712.db2.gz VLMCOXXMMJSWSW-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1ccccc1 ZINC000408617877 557075031 /nfs/dbraw/zinc/07/50/31/557075031.db2.gz DWLLIIRLAOKXCO-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1C ZINC000408619859 557075594 /nfs/dbraw/zinc/07/55/94/557075594.db2.gz 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CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408680358 557098454 /nfs/dbraw/zinc/09/84/54/557098454.db2.gz RMOQWRBPCXPVCU-UHFFFAOYSA-N -1 1 446.981 5.505 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1C ZINC000409409726 557103041 /nfs/dbraw/zinc/10/30/41/557103041.db2.gz QOTBPYKBIBPISN-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020571200 557124565 /nfs/dbraw/zinc/12/45/65/557124565.db2.gz IERKBHBWUNEFGV-UHFFFAOYSA-N -1 1 444.512 5.532 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 ZINC000020766365 557128450 /nfs/dbraw/zinc/12/84/50/557128450.db2.gz JPDHNNLUUBKVDC-UHFFFAOYSA-N -1 1 440.952 5.042 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000409350587 557129604 /nfs/dbraw/zinc/12/96/04/557129604.db2.gz UFDBYHMWVLFFRW-UHFFFAOYSA-N -1 1 436.577 5.292 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000409356748 557137129 /nfs/dbraw/zinc/13/71/29/557137129.db2.gz GJYZYKXPFMZTDV-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000409363375 557137567 /nfs/dbraw/zinc/13/75/67/557137567.db2.gz VRYKSUSJFUMQPD-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000021305790 557139373 /nfs/dbraw/zinc/13/93/73/557139373.db2.gz DKTDCGDNDBYXHA-UHFFFAOYSA-N -1 1 449.359 5.366 40 0 IKABMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000409382880 557141035 /nfs/dbraw/zinc/14/10/35/557141035.db2.gz WYEXZHOTWYGJOD-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1C ZINC000216275801 557141682 /nfs/dbraw/zinc/14/16/82/557141682.db2.gz PXJXEWKCYIJMMM-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1sc2nc(-c3ccccc3OCc3ccc(Br)cc3)[n-]c(=O)c2c1C ZINC000408733860 557143274 /nfs/dbraw/zinc/14/32/74/557143274.db2.gz BLKGENBLQYQKHT-UHFFFAOYSA-N -1 1 441.350 6.022 40 0 IKABMM CSc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216361043 557144299 /nfs/dbraw/zinc/14/42/99/557144299.db2.gz MJVFUEUKMNWPDD-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 ZINC000216383563 557144599 /nfs/dbraw/zinc/14/45/99/557144599.db2.gz SIKSLMHQDYCCIS-HSZRJFAPSA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000409408894 557145342 /nfs/dbraw/zinc/14/53/42/557145342.db2.gz DYLDOCYAJMNDNK-GIDUJCDVSA-N -1 1 426.925 5.101 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c1C ZINC000409409002 557145381 /nfs/dbraw/zinc/14/53/81/557145381.db2.gz FRFIZVMTULYNJC-UHFFFAOYSA-N -1 1 446.931 5.457 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000409412376 557145722 /nfs/dbraw/zinc/14/57/22/557145722.db2.gz VOMDGVGSDGFJBZ-UHFFFAOYSA-N -1 1 440.590 5.387 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2)cc1 ZINC000216441281 557146204 /nfs/dbraw/zinc/14/62/04/557146204.db2.gz DPXSZOPBKNLVNV-DEOSSOPVSA-N -1 1 436.577 5.313 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000216467993 557147338 /nfs/dbraw/zinc/14/73/38/557147338.db2.gz GPBKXXMXOMILHU-HXUWFJFHSA-N -1 1 436.577 5.212 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F)c1ccc(Cl)cc1 ZINC000008810059 557171305 /nfs/dbraw/zinc/17/13/05/557171305.db2.gz AYPCPZJDMKUWGA-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 ZINC000008810053 557171349 /nfs/dbraw/zinc/17/13/49/557171349.db2.gz AYGLXKILAIAKQW-UHFFFAOYSA-N -1 1 446.931 5.656 40 0 IKABMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810047 557171475 /nfs/dbraw/zinc/17/14/75/557171475.db2.gz VNHHDDKYDUHNGR-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 ZINC000008810211 557172050 /nfs/dbraw/zinc/17/20/50/557172050.db2.gz KGPOQQFLDMETFV-UHFFFAOYSA-N -1 1 432.904 5.095 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F)c1ccc(F)cc1 ZINC000008810828 557173549 /nfs/dbraw/zinc/17/35/49/557173549.db2.gz JIMJLOVZBUBHHA-UHFFFAOYSA-N -1 1 438.455 5.171 40 0 IKABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810921 557173848 /nfs/dbraw/zinc/17/38/48/557173848.db2.gz MJVHAYHQZXFMQK-UHFFFAOYSA-N -1 1 444.503 5.450 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022109753 557177962 /nfs/dbraw/zinc/17/79/62/557177962.db2.gz FTKLLVQPUKKZGT-UHFFFAOYSA-N -1 1 438.984 6.022 40 0 IKABMM Fc1ccccc1COc1ccc(Cl)cc1CNn1c(=S)[n-]nc1-c1ccccc1 ZINC000022110242 557178290 /nfs/dbraw/zinc/17/82/90/557178290.db2.gz ATIAHTMYZBIBAU-UHFFFAOYSA-N -1 1 440.931 5.723 40 0 IKABMM Fc1ccc(COc2ccc(Cl)cc2CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000022110238 557178333 /nfs/dbraw/zinc/17/83/33/557178333.db2.gz WHFPDEMLJPXUDZ-UHFFFAOYSA-N -1 1 440.931 5.723 40 0 IKABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1C ZINC000022110294 557178383 /nfs/dbraw/zinc/17/83/83/557178383.db2.gz AJPMFXPOWMZUPX-UHFFFAOYSA-N -1 1 432.549 5.247 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022110493 557178657 /nfs/dbraw/zinc/17/86/57/557178657.db2.gz SPTZOMLQKQBWCE-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022111365 557179014 /nfs/dbraw/zinc/17/90/14/557179014.db2.gz UMYHAXVMRSIGGJ-UHFFFAOYSA-N -1 1 447.347 5.927 40 0 IKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCc1ccccc1Cl ZINC000022112391 557180206 /nfs/dbraw/zinc/18/02/06/557180206.db2.gz IHSNVAFZAGZGMZ-UHFFFAOYSA-N -1 1 439.368 5.277 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3[O-])oc2c1 ZINC000009064858 557181135 /nfs/dbraw/zinc/18/11/35/557181135.db2.gz KHMJMXXWPRICPY-UHFFFAOYSA-N -1 1 445.544 5.759 40 0 IKABMM O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000010112678 557205163 /nfs/dbraw/zinc/20/51/63/557205163.db2.gz GVTDOUHJZKQIOR-UHFFFAOYSA-N -1 1 447.965 5.204 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314636 557215704 /nfs/dbraw/zinc/21/57/04/557215704.db2.gz PREOQTZBLHGJLO-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1 ZINC000010314886 557216166 /nfs/dbraw/zinc/21/61/66/557216166.db2.gz PENUAEDSTIXGEZ-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 ZINC000010315083 557216568 /nfs/dbraw/zinc/21/65/68/557216568.db2.gz CEQBACHPJOCBPO-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1C ZINC000219285716 557235843 /nfs/dbraw/zinc/23/58/43/557235843.db2.gz XBOCRPRFZGOWML-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4ccccc4c3)cc2C)cc1 ZINC000222777884 557385962 /nfs/dbraw/zinc/38/59/62/557385962.db2.gz LAGMXBABZRCRLL-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1C ZINC000222849283 557393740 /nfs/dbraw/zinc/39/37/40/557393740.db2.gz FPIWKRVJKCNUTG-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132021 557421188 /nfs/dbraw/zinc/42/11/88/557421188.db2.gz CJKMYSGHYIPVNM-YBFXNURJSA-N -1 1 440.318 5.544 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1C ZINC000014153458 557424160 /nfs/dbraw/zinc/42/41/60/557424160.db2.gz OKJJMPQDWHBMNV-UHFFFAOYSA-N -1 1 446.931 5.457 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)c1 ZINC000014153861 557424463 /nfs/dbraw/zinc/42/44/63/557424463.db2.gz PQTRLADVVOPUPG-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1C ZINC000014155001 557426723 /nfs/dbraw/zinc/42/67/23/557426723.db2.gz FRKCWWONUANNFG-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000014155545 557427209 /nfs/dbraw/zinc/42/72/09/557427209.db2.gz XLEPEVQVJFPMLT-UHFFFAOYSA-N -1 1 436.577 5.699 40 0 IKABMM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1Cl ZINC000014155745 557427495 /nfs/dbraw/zinc/42/74/95/557427495.db2.gz BBVUOUNLOUXUJD-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccccc4)cc3[O-])nc2c1 ZINC000014270212 557429597 /nfs/dbraw/zinc/42/95/97/557429597.db2.gz GAHHKOOHLXQJCB-UKTHLTGXSA-N -1 1 443.528 5.289 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2C)cc1 ZINC000223192523 557443936 /nfs/dbraw/zinc/44/39/36/557443936.db2.gz ZGTSEXAKAZQOQK-LJQANCHMSA-N -1 1 448.588 5.084 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)N1CCCCCC1 ZINC000026120353 557451115 /nfs/dbraw/zinc/45/11/15/557451115.db2.gz CYPFQUNKZPCAJW-UHFFFAOYSA-N -1 1 446.638 5.349 40 0 IKABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120367 557451178 /nfs/dbraw/zinc/45/11/78/557451178.db2.gz VZFVAAHQEYULJE-UHFFFAOYSA-N -1 1 446.638 5.096 40 0 IKABMM COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223414477 557468928 /nfs/dbraw/zinc/46/89/28/557468928.db2.gz FCHMHNHQHGNMDC-UHFFFAOYSA-N -1 1 436.961 5.062 40 0 IKABMM COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223415091 557469161 /nfs/dbraw/zinc/46/91/61/557469161.db2.gz UYQHJDLQVFVLGA-HNNXBMFYSA-N -1 1 444.940 5.101 40 0 IKABMM COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223415145 557469223 /nfs/dbraw/zinc/46/92/23/557469223.db2.gz UYQHJDLQVFVLGA-OAHLLOKOSA-N -1 1 444.940 5.101 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCCC2)cc1 ZINC000223421618 557470297 /nfs/dbraw/zinc/47/02/97/557470297.db2.gz PFWWEBQVNBSXOO-UHFFFAOYSA-N -1 1 430.570 5.106 40 0 IKABMM Cc1cc(C)c([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1C ZINC000223436521 557472118 /nfs/dbraw/zinc/47/21/18/557472118.db2.gz QGTHOQCKGIGSDW-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c([O-])c2)c1 ZINC000017097554 557479243 /nfs/dbraw/zinc/47/92/43/557479243.db2.gz SIOBQTWEZZRPRN-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3[O-])nc2c1 ZINC000017099498 557483086 /nfs/dbraw/zinc/48/30/86/557483086.db2.gz YGTAXBGQIVZGOV-UHFFFAOYSA-N -1 1 435.480 5.029 40 0 IKABMM Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3[O-])oc2c1 ZINC000017101753 557490635 /nfs/dbraw/zinc/49/06/35/557490635.db2.gz CEKNOUHSIWWFGD-UHFFFAOYSA-N -1 1 437.908 5.289 40 0 IKABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000223674597 557500540 /nfs/dbraw/zinc/50/05/40/557500540.db2.gz NLMWAHLRBQCYJL-UHFFFAOYSA-N -1 1 436.577 5.654 40 0 IKABMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223916252 557528525 /nfs/dbraw/zinc/52/85/25/557528525.db2.gz SINQWJCVEGWKEJ-UHFFFAOYSA-N -1 1 444.512 5.532 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000223940202 557531707 /nfs/dbraw/zinc/53/17/07/557531707.db2.gz DLMRXZZATISWKX-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000223940056 557531722 /nfs/dbraw/zinc/53/17/22/557531722.db2.gz SGLRWVUKLWUQDW-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1C ZINC000223945477 557532556 /nfs/dbraw/zinc/53/25/56/557532556.db2.gz JFUQDGWRSJBCOK-UHFFFAOYSA-N -1 1 430.614 5.357 40 0 IKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000223947915 557532666 /nfs/dbraw/zinc/53/26/66/557532666.db2.gz QYYGVKJHRXBCLZ-FQEVSTJZSA-N -1 1 430.614 5.359 40 0 IKABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)c(C)c1 ZINC000223952519 557533452 /nfs/dbraw/zinc/53/34/52/557533452.db2.gz GGHJCLZBWKCTCT-XMMPIXPASA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1C ZINC000223952657 557533537 /nfs/dbraw/zinc/53/35/37/557533537.db2.gz IVOQYDADEVOUJG-XMMPIXPASA-N -1 1 436.577 5.294 40 0 IKABMM CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000223971836 557536898 /nfs/dbraw/zinc/53/68/98/557536898.db2.gz KIRNDKAPVFNGIM-FQEVSTJZSA-N -1 1 430.614 5.359 40 0 IKABMM O=C(Nc1cccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223973165 557536935 /nfs/dbraw/zinc/53/69/35/557536935.db2.gz CHDUJCQFQKFACN-UHFFFAOYSA-N -1 1 436.920 5.546 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)cc2)cc1 ZINC000223972172 557536952 /nfs/dbraw/zinc/53/69/52/557536952.db2.gz LPEIRUXGZWIPMI-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975564 557537486 /nfs/dbraw/zinc/53/74/86/557537486.db2.gz JKQIAPRYZGHFRI-UHFFFAOYSA-N -1 1 442.968 5.518 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223975488 557537569 /nfs/dbraw/zinc/53/75/69/557537569.db2.gz WERUTRRVBVTLAU-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000223978019 557538106 /nfs/dbraw/zinc/53/81/06/557538106.db2.gz XUKLBAVCILFITR-OAQYLSRUSA-N -1 1 428.941 5.022 40 0 IKABMM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223978456 557538327 /nfs/dbraw/zinc/53/83/27/557538327.db2.gz FHAMXAMVXFYBHR-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223979524 557538368 /nfs/dbraw/zinc/53/83/68/557538368.db2.gz VUNHCTDMDULIQX-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000223992687 557540817 /nfs/dbraw/zinc/54/08/17/557540817.db2.gz VGTHSCNWALTQNZ-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000223993230 557540873 /nfs/dbraw/zinc/54/08/73/557540873.db2.gz WRKZVHFIXPEAGY-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000223992771 557540883 /nfs/dbraw/zinc/54/08/83/557540883.db2.gz QJWFJZFVGRIFDT-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000223996005 557541341 /nfs/dbraw/zinc/54/13/41/557541341.db2.gz CSYRIHQISFWSIR-UHFFFAOYSA-N -1 1 440.590 5.387 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000223995086 557541388 /nfs/dbraw/zinc/54/13/88/557541388.db2.gz HBYOCVPGSVDQRP-UHFFFAOYSA-N -1 1 446.981 5.423 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1C ZINC000224001234 557542150 /nfs/dbraw/zinc/54/21/50/557542150.db2.gz QXOOPZGDMHIRSD-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224003301 557542363 /nfs/dbraw/zinc/54/23/63/557542363.db2.gz AFXIVVLMZKKQEG-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224002754 557542415 /nfs/dbraw/zinc/54/24/15/557542415.db2.gz RLLFEGGIBRXKBD-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224005145 557542656 /nfs/dbraw/zinc/54/26/56/557542656.db2.gz WIBXCFSBRTVRCM-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224005390 557542710 /nfs/dbraw/zinc/54/27/10/557542710.db2.gz ZZTYHDXXOGCWDA-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cc(C(=O)NCCC2=CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224005926 557542907 /nfs/dbraw/zinc/54/29/07/557542907.db2.gz FRQDBRFXQAURLN-UHFFFAOYSA-N -1 1 432.973 5.070 40 0 IKABMM CCOc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224007378 557543227 /nfs/dbraw/zinc/54/32/27/557543227.db2.gz NWIZNBQZYAUFDM-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1ccccc1[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 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557549118 /nfs/dbraw/zinc/54/91/18/557549118.db2.gz OBOMSLYKZCUGNV-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224035337 557549156 /nfs/dbraw/zinc/54/91/56/557549156.db2.gz LSTWKNWGIPCGOX-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM O=C(NCCC1CCCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224035063 557549162 /nfs/dbraw/zinc/54/91/62/557549162.db2.gz ACERXAPVGALLAV-UHFFFAOYSA-N -1 1 434.989 5.231 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC3CCCCCC3)ccc2C)cc1 ZINC000224047056 557551212 /nfs/dbraw/zinc/55/12/12/557551212.db2.gz KILRAFYZKSJGMR-UHFFFAOYSA-N -1 1 428.598 5.195 40 0 IKABMM Cc1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C ZINC000224049606 557551750 /nfs/dbraw/zinc/55/17/50/557551750.db2.gz NAHLRRAMZCVFGY-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224050781 557551852 /nfs/dbraw/zinc/55/18/52/557551852.db2.gz BWJJHRPSRBIDTO-UHFFFAOYSA-N 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O=C(Nc1ccccc1F)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067138 557554769 /nfs/dbraw/zinc/55/47/69/557554769.db2.gz NZPQNSMHQAEMBV-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 ZINC000224070072 557554921 /nfs/dbraw/zinc/55/49/21/557554921.db2.gz NEMDBFUBYZUQQG-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000224079855 557557497 /nfs/dbraw/zinc/55/74/97/557557497.db2.gz MKNVOLBUVMGTGO-UHFFFAOYSA-N -1 1 442.540 5.300 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2C)cc1 ZINC000224090086 557559326 /nfs/dbraw/zinc/55/93/26/557559326.db2.gz YVMMGPRBACRTDG-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM CN(Cc1cccc(Cl)c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224096940 557560200 /nfs/dbraw/zinc/56/02/00/557560200.db2.gz HEXDFUNYABRIDD-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM CC(C)c1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224096634 557560204 /nfs/dbraw/zinc/56/02/04/557560204.db2.gz MNHTVRLPBRILJW-UHFFFAOYSA-N -1 1 442.968 5.194 40 0 IKABMM Cc1ccc(C(=O)N(C)Cc2cccc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224100488 557560889 /nfs/dbraw/zinc/56/08/89/557560889.db2.gz CBQKVVQEDBATQG-UHFFFAOYSA-N -1 1 444.556 5.221 40 0 IKABMM CN(Cc1ccccc1Cl)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224103584 557561507 /nfs/dbraw/zinc/56/15/07/557561507.db2.gz ZZZWDTAWDWIZPB-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC(C)(C)CC(C)(C)C)c2)cc1 ZINC000224400176 557602128 /nfs/dbraw/zinc/60/21/28/557602128.db2.gz NTXBHJRMXPKBMU-UHFFFAOYSA-N -1 1 437.005 5.394 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000224525723 557616666 /nfs/dbraw/zinc/61/66/66/557616666.db2.gz MOHMPKKHDCKQQE-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000224529438 557617171 /nfs/dbraw/zinc/61/71/71/557617171.db2.gz AOAHQUIBRQIRKT-YIXHJXPBSA-N -1 1 444.915 5.240 40 0 IKABMM O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000224529864 557617193 /nfs/dbraw/zinc/61/71/93/557617193.db2.gz HPOCBSGSXBEVHD-UHFFFAOYSA-N -1 1 436.320 5.438 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000224531146 557617394 /nfs/dbraw/zinc/61/73/94/557617394.db2.gz SXBFKZLZGDXKAL-UHFFFAOYSA-N -1 1 431.970 5.258 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000224535139 557617869 /nfs/dbraw/zinc/61/78/69/557617869.db2.gz SVHJYBSDPLIWNE-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2)cc1 ZINC000224543359 557619261 /nfs/dbraw/zinc/61/92/61/557619261.db2.gz XMHHHIJYELYKJI-UHFFFAOYSA-N -1 1 442.968 5.329 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c1 ZINC000224565965 557624441 /nfs/dbraw/zinc/62/44/41/557624441.db2.gz MJPJCAPHEPIEMX-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000224566033 557624477 /nfs/dbraw/zinc/62/44/77/557624477.db2.gz KAWFHUFPULAJCJ-UHFFFAOYSA-N -1 1 449.359 5.366 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3cccc4ccccc43)cc2)c1 ZINC000224567702 557624886 /nfs/dbraw/zinc/62/48/86/557624886.db2.gz PQBGYWWOZZYUIV-UHFFFAOYSA-N -1 1 444.556 5.520 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000224957595 557671242 /nfs/dbraw/zinc/67/12/42/557671242.db2.gz UJGDUYOPZPWKEZ-UHFFFAOYSA-N -1 1 449.576 5.038 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c(Cl)c1 ZINC000224997706 557675545 /nfs/dbraw/zinc/67/55/45/557675545.db2.gz JZXBCHZUJGBRIT-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c(C)c1 ZINC000225055262 557683431 /nfs/dbraw/zinc/68/34/31/557683431.db2.gz SNAYIWUGQFSONA-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl ZINC000225270136 557707466 /nfs/dbraw/zinc/70/74/66/557707466.db2.gz IINSMFXLKOZQSR-UHFFFAOYSA-N -1 1 427.913 5.083 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F ZINC000225605591 557750432 /nfs/dbraw/zinc/75/04/32/557750432.db2.gz UBAUHZRZLOPJTP-UHFFFAOYSA-N -1 1 425.525 5.463 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)c(C)c1C ZINC000225674300 557761064 /nfs/dbraw/zinc/76/10/64/557761064.db2.gz RBFZVNUHCUCAAS-UHFFFAOYSA-N -1 1 448.009 6.059 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1NC(=O)C(C)C ZINC000225745413 557772018 /nfs/dbraw/zinc/77/20/18/557772018.db2.gz NASIINUWPIDGQS-UHFFFAOYSA-N -1 1 433.382 5.111 40 0 IKABMM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904066 569220131 /nfs/dbraw/zinc/22/01/31/569220131.db2.gz RYONYDLLXHJLRB-UHFFFAOYSA-N -1 1 446.981 5.013 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000010039288 569220828 /nfs/dbraw/zinc/22/08/28/569220828.db2.gz MECQQBISKYDMOP-RIYZIHGNSA-N -1 1 426.925 5.101 40 0 IKABMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000010112020 569221264 /nfs/dbraw/zinc/22/12/64/569221264.db2.gz MVAKKMKGAPPHLB-GOSISDBHSA-N -1 1 436.577 5.276 40 0 IKABMM COc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1Cl ZINC000010314462 569222519 /nfs/dbraw/zinc/22/25/19/569222519.db2.gz ICSQAEJMLKPOCU-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1 ZINC000010314323 569222556 /nfs/dbraw/zinc/22/25/56/569222556.db2.gz HGHACHHOMRTEFK-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM CSc1cccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010314527 569222563 /nfs/dbraw/zinc/22/25/63/569222563.db2.gz GVRMZAFADOHQTH-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 ZINC000010314649 569222585 /nfs/dbraw/zinc/22/25/85/569222585.db2.gz JIYBQPXATACISG-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc4ccccc43)ccc2C)cc1 ZINC000010314389 569222589 /nfs/dbraw/zinc/22/25/89/569222589.db2.gz WPRIXVADSUGYGC-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000010315280 569222752 /nfs/dbraw/zinc/22/27/52/569222752.db2.gz LZTRGGHFGPGAKJ-UHFFFAOYSA-N -1 1 436.577 5.356 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2C)cc1 ZINC000010333225 569223335 /nfs/dbraw/zinc/22/33/35/569223335.db2.gz MBKWMAMBBRSISO-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 ZINC000010332966 569223341 /nfs/dbraw/zinc/22/33/41/569223341.db2.gz GFGPXWKWEPUBIR-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000010357355 569223596 /nfs/dbraw/zinc/22/35/96/569223596.db2.gz NJSKPWWYHMIQKE-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010360435 569223758 /nfs/dbraw/zinc/22/37/58/569223758.db2.gz AZMLINMSNIXEPP-UHFFFAOYSA-N -1 1 444.512 5.532 40 0 IKABMM Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010370933 569224153 /nfs/dbraw/zinc/22/41/53/569224153.db2.gz RCXXBSHGEFIKIH-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118910 569242495 /nfs/dbraw/zinc/24/24/95/569242495.db2.gz LTJVHBFJMSCYHD-UHFFFAOYSA-N -1 1 446.638 5.007 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 ZINC000034690008 569247200 /nfs/dbraw/zinc/24/72/00/569247200.db2.gz WSNJESNPPQDFLY-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CC(C)CC(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2[O-])O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257247998 569277045 /nfs/dbraw/zinc/27/70/45/569277045.db2.gz JBPHMWQAECZBFJ-FKTFMUQYSA-N -1 1 438.406 5.342 40 0 IKABMM CC(C)c1ccc(NC(=O)CN2CCC[C@H]2Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000257283978 569277961 /nfs/dbraw/zinc/27/79/61/569277961.db2.gz PATHIMKSZICNNL-IBGZPJMESA-N -1 1 436.577 5.369 40 0 IKABMM O=C([O-])c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 ZINC000257298246 569278591 /nfs/dbraw/zinc/27/85/91/569278591.db2.gz RKVRHOWZIHUIHM-RUZDIDTESA-N -1 1 434.967 5.946 40 0 IKABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1cccc2ccccc21 ZINC000257321199 569279295 /nfs/dbraw/zinc/27/92/95/569279295.db2.gz WAOSIKXTRICSMO-GOSISDBHSA-N -1 1 444.556 5.398 40 0 IKABMM CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017920852 569282215 /nfs/dbraw/zinc/28/22/15/569282215.db2.gz YZORGGDPVBBSOO-HJOGWXRNSA-N -1 1 446.934 5.262 40 0 IKABMM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000020455231 519021663 /nfs/dbraw/zinc/02/16/63/519021663.db2.gz WPOHJWROVVTLDB-UHFFFAOYSA-N -1 1 442.968 5.691 40 0 IKABMM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000022527975 519781134 /nfs/dbraw/zinc/78/11/34/519781134.db2.gz YXKTVOPHERTITQ-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020458620 521778417 /nfs/dbraw/zinc/77/84/17/521778417.db2.gz VLWILTWKBVXHBK-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000020488078 521778516 /nfs/dbraw/zinc/77/85/16/521778516.db2.gz LFPFGQZZKKSWNW-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccccc1 ZINC000020490758 522783671 /nfs/dbraw/zinc/78/36/71/522783671.db2.gz GCMABXYHEABXLK-JOCHJYFZSA-N -1 1 436.577 5.294 40 0 IKABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000022509062 523277703 /nfs/dbraw/zinc/27/77/03/523277703.db2.gz TUOLJPCNKILRRK-UHFFFAOYSA-N -1 1 442.540 6.408 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 ZINC000020492409 524437565 /nfs/dbraw/zinc/43/75/65/524437565.db2.gz WHXIIJHNJBGHEW-SFHVURJKSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c(C)c1 ZINC000020492454 525295825 /nfs/dbraw/zinc/29/58/25/525295825.db2.gz BFSRDCMGMUZYOD-GOSISDBHSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c(C)c1 ZINC000020492455 525297011 /nfs/dbraw/zinc/29/70/11/525297011.db2.gz BFSRDCMGMUZYOD-SFHVURJKSA-N -1 1 440.540 5.043 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cc(C)cc3C)c(Cl)c2)cc1 ZINC000020456778 525599368 /nfs/dbraw/zinc/59/93/68/525599368.db2.gz PTABNJLPCQYNIT-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000020492650 525602654 /nfs/dbraw/zinc/60/26/54/525602654.db2.gz VRAKLYCIFVLGJA-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000022518165 525606410 /nfs/dbraw/zinc/60/64/10/525606410.db2.gz UVFFAQRIXJCTRR-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CSc1cccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020461561 526134086 /nfs/dbraw/zinc/13/40/86/526134086.db2.gz JBFZNYWRBQYESB-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000021305647 526222523 /nfs/dbraw/zinc/22/25/23/526222523.db2.gz RLJORARMELJUIN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1)c1cccc(Cl)c1Cl ZINC000016383854 527140124 /nfs/dbraw/zinc/14/01/24/527140124.db2.gz XXCBMYDGOHVRAC-UHFFFAOYSA-N -1 1 433.678 6.413 40 0 IKABMM Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3[O-])nc2c1 ZINC000001256016 555687763 /nfs/dbraw/zinc/68/77/63/555687763.db2.gz XIIJMSSVDIJYSO-UHFFFAOYSA-N -1 1 431.517 5.252 40 0 IKABMM Cc1cc([O-])c(C(c2c(C)c(Cl)c(C)cc2O)C(Cl)(Cl)Cl)c(C)c1Cl ZINC000001672266 555708961 /nfs/dbraw/zinc/70/89/61/555708961.db2.gz GMJUEKPDAGNYPW-UHFFFAOYSA-N -1 1 442.597 7.140 40 0 IKABMM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000408546155 555812755 /nfs/dbraw/zinc/81/27/55/555812755.db2.gz CMUQRKUADJHRLQ-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)c2ccccc2n3CC)ccc1C ZINC000408625195 555992763 /nfs/dbraw/zinc/99/27/63/555992763.db2.gz RKQMWKCNHRGLKO-UHFFFAOYSA-N -1 1 449.576 5.063 40 0 IKABMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1ccccc1 ZINC000408626765 555997512 /nfs/dbraw/zinc/99/75/12/555997512.db2.gz WSWHRTPEHRWAQJ-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408629683 555999967 /nfs/dbraw/zinc/99/99/67/555999967.db2.gz GFHUMFOSNJAAFZ-UHFFFAOYSA-N -1 1 442.496 5.639 40 0 IKABMM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000010329562 556331905 /nfs/dbraw/zinc/33/19/05/556331905.db2.gz JJSGYNSPRWCZRA-UHFFFAOYSA-N -1 1 436.577 5.238 40 0 IKABMM Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408906181 556493290 /nfs/dbraw/zinc/49/32/90/556493290.db2.gz AUMRHFUTLNQWNX-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)cc1C ZINC000030753711 556503830 /nfs/dbraw/zinc/50/38/30/556503830.db2.gz QRIGKTXOYSXGHV-XMMPIXPASA-N -1 1 448.588 5.220 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 ZINC000030755367 556504458 /nfs/dbraw/zinc/50/44/58/556504458.db2.gz BZUBYXPMGWSXCO-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM CCOc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030850519 556508717 /nfs/dbraw/zinc/50/87/17/556508717.db2.gz NNHSRQWUWVSDMO-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM CC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 ZINC000030854405 556509665 /nfs/dbraw/zinc/50/96/65/556509665.db2.gz RPHNVWQITAZSEW-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000015412453 556525188 /nfs/dbraw/zinc/52/51/88/556525188.db2.gz GPFXKAXADRFRLE-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C1[N-]C(=S)SC1=Cc1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000032109560 556530007 /nfs/dbraw/zinc/53/00/07/556530007.db2.gz PPPDRMYWVKHNBJ-UNOMPAQXSA-N -1 1 428.966 6.093 40 0 IKABMM O=C([O-])c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000016480555 556611424 /nfs/dbraw/zinc/61/14/24/556611424.db2.gz VIWZMBMNXXTDOC-UHFFFAOYSA-N -1 1 426.310 5.016 40 0 IKABMM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c1 ZINC000100933970 556612099 /nfs/dbraw/zinc/61/20/99/556612099.db2.gz VCKMBHWNGBOGEH-ZNZIZOMTSA-N -1 1 434.495 5.199 40 0 IKABMM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)cc1 ZINC000100945539 556615056 /nfs/dbraw/zinc/61/50/56/556615056.db2.gz CKHWGQAGHQQPTC-CYXNTTPDSA-N -1 1 434.495 5.199 40 0 IKABMM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038752774 556616144 /nfs/dbraw/zinc/61/61/44/556616144.db2.gz LTHDLUARABGEPQ-UHFFFAOYSA-N -1 1 446.981 5.505 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1C ZINC000038757305 556618632 /nfs/dbraw/zinc/61/86/32/556618632.db2.gz LYSKPXKNUWHMTJ-DEOSSOPVSA-N -1 1 448.588 5.220 40 0 IKABMM C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[n-]1 ZINC000040385809 556636073 /nfs/dbraw/zinc/63/60/73/556636073.db2.gz MJMIFCGBASSJGB-OAHLLOKOSA-N -1 1 437.528 5.074 40 0 IKABMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(Cl)cc4C)cc3)sc2c1 ZINC000016780482 556641692 /nfs/dbraw/zinc/64/16/92/556641692.db2.gz BWAVCVJDLPCMCO-UHFFFAOYSA-N -1 1 442.993 6.343 40 0 IKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807638 556644426 /nfs/dbraw/zinc/64/44/26/556644426.db2.gz SFHLRMPNMFQXKA-UHFFFAOYSA-N -1 1 446.572 5.868 40 0 IKABMM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000016807616 556644516 /nfs/dbraw/zinc/64/45/16/556644516.db2.gz AKEGHIRWNZOAJR-UHFFFAOYSA-N -1 1 432.545 5.559 40 0 IKABMM CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101036242 556652566 /nfs/dbraw/zinc/65/25/66/556652566.db2.gz YZORGGDPVBBSOO-SGNDLWITSA-N -1 1 446.934 5.262 40 0 IKABMM CC(C)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044845845 556669398 /nfs/dbraw/zinc/66/93/98/556669398.db2.gz GBYAPRUIBHUHIT-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 ZINC000044846631 556669493 /nfs/dbraw/zinc/66/94/93/556669493.db2.gz BMEOLUQZKUDFMF-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044948171 556683830 /nfs/dbraw/zinc/68/38/30/556683830.db2.gz MHZXABMVXCRARE-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408906154 556884377 /nfs/dbraw/zinc/88/43/77/556884377.db2.gz CQVPQKXEQIWLLI-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)c1 ZINC000408922298 556891498 /nfs/dbraw/zinc/89/14/98/556891498.db2.gz ZDESBLHGYAEILG-SFHVURJKSA-N -1 1 440.590 5.056 40 0 IKABMM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408922628 556892131 /nfs/dbraw/zinc/89/21/31/556892131.db2.gz CVWZJWGVTXZRJO-QGOAFFKASA-N -1 1 428.513 5.293 40 0 IKABMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408923333 556892436 /nfs/dbraw/zinc/89/24/36/556892436.db2.gz WAQUSOTWIORJFO-HNNXBMFYSA-N -1 1 446.981 5.260 40 0 IKABMM Cc1cc(C)c(COc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)cc2)c(C)c1 ZINC000408992488 556911973 /nfs/dbraw/zinc/91/19/73/556911973.db2.gz SXTAVDBBBWGVRG-UHFFFAOYSA-N -1 1 444.600 6.837 40 0 IKABMM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccccc1 ZINC000408994687 556912972 /nfs/dbraw/zinc/91/29/72/556912972.db2.gz ZPFYCVVIBIXJLM-UHFFFAOYSA-N -1 1 446.572 6.311 40 0 IKABMM Cc1c(Cl)cccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000019931360 556948790 /nfs/dbraw/zinc/94/87/90/556948790.db2.gz LMEBMJMCHDYMOE-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020035084 556969607 /nfs/dbraw/zinc/96/96/07/556969607.db2.gz SKZKPUDGVGVABZ-NRFANRHFSA-N -1 1 428.941 5.022 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 ZINC000020104815 556981503 /nfs/dbraw/zinc/98/15/03/556981503.db2.gz JYOGPEXJDRXTSY-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020104761 556981608 /nfs/dbraw/zinc/98/16/08/556981608.db2.gz AWHIGYNRICTTOA-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000409169695 556982602 /nfs/dbraw/zinc/98/26/02/556982602.db2.gz YHVMOEZAOSTTKV-UHFFFAOYSA-N -1 1 430.529 5.212 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000020111163 556985739 /nfs/dbraw/zinc/98/57/39/556985739.db2.gz VSDVGEZCCRRDAO-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000020110965 556985766 /nfs/dbraw/zinc/98/57/66/556985766.db2.gz VMDQVYOOBFJKJW-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000409178989 556987299 /nfs/dbraw/zinc/98/72/99/556987299.db2.gz OPVOBIQNIBDERU-GOSISDBHSA-N -1 1 440.590 5.224 40 0 IKABMM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000409180721 556999628 /nfs/dbraw/zinc/99/96/28/556999628.db2.gz ZHTVIRFRVZNLOU-UHFFFAOYSA-N -1 1 440.590 5.225 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000408544599 557034588 /nfs/dbraw/zinc/03/45/88/557034588.db2.gz HYEYCKWPPBBYJW-UHFFFAOYSA-N -1 1 429.929 5.402 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1C ZINC000408549061 557035328 /nfs/dbraw/zinc/03/53/28/557035328.db2.gz WHFJFCNQZAXCHS-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c(C)c1 ZINC000408546261 557035728 /nfs/dbraw/zinc/03/57/28/557035728.db2.gz DEMNQWUIIPHCHB-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(=O)c1ccccc1 ZINC000408557811 557037822 /nfs/dbraw/zinc/03/78/22/557037822.db2.gz ODOUGHBDHQTWKT-UHFFFAOYSA-N -1 1 444.940 5.100 40 0 IKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408563761 557039125 /nfs/dbraw/zinc/03/91/25/557039125.db2.gz PEHXAENDNDZEAE-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000409269945 557042327 /nfs/dbraw/zinc/04/23/27/557042327.db2.gz MKSUGXKGZWTSCH-UHFFFAOYSA-N -1 1 444.531 5.766 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408602687 557068871 /nfs/dbraw/zinc/06/88/71/557068871.db2.gz FHTGQLYSAVBVJU-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408606396 557069808 /nfs/dbraw/zinc/06/98/08/557069808.db2.gz LVXALOJDEMORDE-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408626747 557071920 /nfs/dbraw/zinc/07/19/20/557071920.db2.gz WKNRTKAYQCUFOP-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc2ccccc2o1 ZINC000408615112 557073908 /nfs/dbraw/zinc/07/39/08/557073908.db2.gz LXLZGCMVBIRFIK-UHFFFAOYSA-N -1 1 442.496 5.639 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)c1 ZINC000408621195 557076061 /nfs/dbraw/zinc/07/60/61/557076061.db2.gz OPHMIZAMWFSZQM-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM CC(C)COc1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1 ZINC000408634795 557076722 /nfs/dbraw/zinc/07/67/22/557076722.db2.gz USDIKXAVLMDELX-WOJGMQOQSA-N -1 1 429.929 5.378 40 0 IKABMM CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(Br)c1[O-] ZINC000409237397 557079140 /nfs/dbraw/zinc/07/91/40/557079140.db2.gz WMFVDTNVSAZSEU-UHFFFAOYSA-N -1 1 434.399 5.184 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)c1 ZINC000409383909 557091862 /nfs/dbraw/zinc/09/18/62/557091862.db2.gz OLBZTNOCFXIODP-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c(C)c1 ZINC000409384080 557092104 /nfs/dbraw/zinc/09/21/04/557092104.db2.gz ZQGDNMDRQOWIBZ-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1OCC ZINC000408678881 557097870 /nfs/dbraw/zinc/09/78/70/557097870.db2.gz JDPBKAKEFSLLHZ-UHFFFAOYSA-N -1 1 429.563 5.436 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 ZINC000408681000 557098725 /nfs/dbraw/zinc/09/87/25/557098725.db2.gz VMXMXVTXOIIJKR-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c(C)c1 ZINC000409409567 557108463 /nfs/dbraw/zinc/10/84/63/557108463.db2.gz IDDUVAKCTOEMQM-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000020765651 557127587 /nfs/dbraw/zinc/12/75/87/557127587.db2.gz QOVITBUFGTYOTA-UHFFFAOYSA-N -1 1 442.540 5.234 40 0 IKABMM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(C)c4C)ccc32)cc1 ZINC000020765987 557127978 /nfs/dbraw/zinc/12/79/78/557127978.db2.gz AMWUETXKCWIRSP-UHFFFAOYSA-N -1 1 434.561 5.006 40 0 IKABMM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102703524 557132621 /nfs/dbraw/zinc/13/26/21/557132621.db2.gz FWPXXWJCAFWHHE-XPWALMASSA-N -1 1 432.907 5.008 40 0 IKABMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000021305644 557139317 /nfs/dbraw/zinc/13/93/17/557139317.db2.gz DODCVAZBEAZWCN-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409381910 557140867 /nfs/dbraw/zinc/14/08/67/557140867.db2.gz OTWVXEKVAQCQED-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1C ZINC000409383129 557140920 /nfs/dbraw/zinc/14/09/20/557140920.db2.gz ZMXBADAEYCJIAY-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c(C)c1 ZINC000216240462 557141083 /nfs/dbraw/zinc/14/10/83/557141083.db2.gz PQWDBOZCKNYRKG-XMMPIXPASA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c(C)c1 ZINC000409383769 557141551 /nfs/dbraw/zinc/14/15/51/557141551.db2.gz GDAWZHAWMGORKT-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM CC(C)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000216282641 557141975 /nfs/dbraw/zinc/14/19/75/557141975.db2.gz SDMKPEVRAJPACO-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM Cc1sc2nc(-c3ccc(OCc4ccc(Br)cc4)cc3)[n-]c(=O)c2c1C ZINC000408734131 557143280 /nfs/dbraw/zinc/14/32/80/557143280.db2.gz DIHOHAFIZPIKKL-UHFFFAOYSA-N -1 1 441.350 6.022 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1Cl ZINC000216337645 557143430 /nfs/dbraw/zinc/14/34/30/557143430.db2.gz IBYRQIBAZXZRTD-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1 ZINC000216383610 557144665 /nfs/dbraw/zinc/14/46/65/557144665.db2.gz SIKSLMHQDYCCIS-QHCPKHFHSA-N -1 1 448.588 5.220 40 0 IKABMM Cc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216394532 557144955 /nfs/dbraw/zinc/14/49/55/557144955.db2.gz KHHVOESQXTUGAL-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000409410293 557145238 /nfs/dbraw/zinc/14/52/38/557145238.db2.gz MERJDDXJWJKFEO-UHFFFAOYSA-N -1 1 429.929 5.402 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1C ZINC000409410581 557145267 /nfs/dbraw/zinc/14/52/67/557145267.db2.gz XYUUWBCXITZEON-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1C ZINC000409411371 557145394 /nfs/dbraw/zinc/14/53/94/557145394.db2.gz HFXAUTPIYQQFHI-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 ZINC000216409942 557145581 /nfs/dbraw/zinc/14/55/81/557145581.db2.gz SMNAYGQDSIAGAT-UHFFFAOYSA-N -1 1 432.973 5.070 40 0 IKABMM CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1 ZINC000216434438 557146230 /nfs/dbraw/zinc/14/62/30/557146230.db2.gz YMSXAOJPRPQRLU-HSZRJFAPSA-N -1 1 436.577 5.294 40 0 IKABMM CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1 ZINC000216434477 557146248 /nfs/dbraw/zinc/14/62/48/557146248.db2.gz YMSXAOJPRPQRLU-QHCPKHFHSA-N -1 1 436.577 5.294 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 ZINC000409412204 557146332 /nfs/dbraw/zinc/14/63/32/557146332.db2.gz UAJZZEVEOFZSJQ-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1C ZINC000008810049 557171261 /nfs/dbraw/zinc/17/12/61/557171261.db2.gz RNUQVNVBMKKLHL-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C ZINC000008810203 557171722 /nfs/dbraw/zinc/17/17/22/557171722.db2.gz MDYBNBLZJDUMIB-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 ZINC000008810205 557171765 /nfs/dbraw/zinc/17/17/65/557171765.db2.gz IBKIMYSLGIQPJG-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 ZINC000008810209 557172015 /nfs/dbraw/zinc/17/20/15/557172015.db2.gz QPORORMTVVBUTH-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1C ZINC000008810362 557172441 /nfs/dbraw/zinc/17/24/41/557172441.db2.gz HUQDIEJILWCOSZ-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1C ZINC000008810367 557172567 /nfs/dbraw/zinc/17/25/67/557172567.db2.gz ACKDJURGZTYQMU-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 ZINC000008810914 557173555 /nfs/dbraw/zinc/17/35/55/557173555.db2.gz UAKNNYAKADLOQJ-UHFFFAOYSA-N -1 1 444.503 5.361 40 0 IKABMM CCCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022109904 557178414 /nfs/dbraw/zinc/17/84/14/557178414.db2.gz WNQCJYIVSRTEKD-UHFFFAOYSA-N -1 1 436.940 5.017 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022110512 557178799 /nfs/dbraw/zinc/17/87/99/557178799.db2.gz KHPOZIKWQGPZAV-UHFFFAOYSA-N -1 1 443.787 5.786 40 0 IKABMM CCc1n[n-]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022110497 557178813 /nfs/dbraw/zinc/17/88/13/557178813.db2.gz AXJYFUBVUYYSGB-UHFFFAOYSA-N -1 1 439.368 5.141 40 0 IKABMM COc1cc(CNn2cn[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022111831 557179871 /nfs/dbraw/zinc/17/98/71/557179871.db2.gz QSPFZNAMSVWLBY-UHFFFAOYSA-N -1 1 445.759 5.232 40 0 IKABMM CCOc1cc(CNn2c(C)n[n-]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022112387 557179969 /nfs/dbraw/zinc/17/99/69/557179969.db2.gz HDIFJJVCYVCNMY-UHFFFAOYSA-N -1 1 439.368 5.277 40 0 IKABMM Cc1n[n-]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022112421 557180177 /nfs/dbraw/zinc/18/01/77/557180177.db2.gz BRAVIDPJKHRHDR-UHFFFAOYSA-N -1 1 429.760 5.532 40 0 IKABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000010112680 557205124 /nfs/dbraw/zinc/20/51/24/557205124.db2.gz HJPRJJRXPYGHMR-UHFFFAOYSA-N -1 1 446.981 5.392 40 0 IKABMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000010112673 557205255 /nfs/dbraw/zinc/20/52/55/557205255.db2.gz JBKPWDAOBJEPGT-UHFFFAOYSA-N -1 1 433.982 5.832 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2C)cc1 ZINC000010314664 557215667 /nfs/dbraw/zinc/21/56/67/557215667.db2.gz DPXIJZOEUAPYMA-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)cc1 ZINC000010314597 557215783 /nfs/dbraw/zinc/21/57/83/557215783.db2.gz FUWZDQALJOMLHZ-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314792 557216100 /nfs/dbraw/zinc/21/61/00/557216100.db2.gz ZVERDMXSOJZCJE-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314863 557216151 /nfs/dbraw/zinc/21/61/51/557216151.db2.gz BCLNPNSQGZYUBY-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1C ZINC000219285578 557235757 /nfs/dbraw/zinc/23/57/57/557235757.db2.gz USSCZPZYUMTBKC-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707027 557305815 /nfs/dbraw/zinc/30/58/15/557305815.db2.gz XDVFYFCTFGIXLK-DSITVLBTSA-N -1 1 438.458 5.030 40 0 IKABMM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707024 557305992 /nfs/dbraw/zinc/30/59/92/557305992.db2.gz XDVFYFCTFGIXLK-SDHOMARFSA-N -1 1 438.458 5.030 40 0 IKABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2c1 ZINC000222593993 557358100 /nfs/dbraw/zinc/35/81/00/557358100.db2.gz JTRZYTHMFCAODL-UHFFFAOYSA-N -1 1 447.600 6.117 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 ZINC000222770802 557385097 /nfs/dbraw/zinc/38/50/97/557385097.db2.gz SKOUGNSQBBYZEO-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM CCc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000222775741 557385565 /nfs/dbraw/zinc/38/55/65/557385565.db2.gz ULZYWLRZOIQTJG-INIZCTEOSA-N -1 1 442.968 5.194 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 ZINC000222777610 557385986 /nfs/dbraw/zinc/38/59/86/557385986.db2.gz IKVNEUVFAXDHLA-UHFFFAOYSA-N -1 1 444.556 5.187 40 0 IKABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222942932 557406524 /nfs/dbraw/zinc/40/65/24/557406524.db2.gz IRSOFOLLBWUMSP-LJQANCHMSA-N -1 1 448.588 5.166 40 0 IKABMM CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000014153821 557424274 /nfs/dbraw/zinc/42/42/74/557424274.db2.gz CWFXVOAQWSBFDX-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000014154258 557426175 /nfs/dbraw/zinc/42/61/75/557426175.db2.gz DNUNHKVVAKMKKF-UHFFFAOYSA-N -1 1 436.577 5.590 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 ZINC000014155037 557426741 /nfs/dbraw/zinc/42/67/41/557426741.db2.gz GNTRDUFWPKYVID-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1C ZINC000014155684 557427325 /nfs/dbraw/zinc/42/73/25/557427325.db2.gz GFTCHNQPSXCIHV-UHFFFAOYSA-N -1 1 436.577 5.788 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 ZINC000223181914 557442714 /nfs/dbraw/zinc/44/27/14/557442714.db2.gz HVRCQVZFINOMQM-IBGZPJMESA-N -1 1 448.588 5.084 40 0 IKABMM CCc1ccc2nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000014608240 557448507 /nfs/dbraw/zinc/44/85/07/557448507.db2.gz SEQKSELSJYFCGE-UHFFFAOYSA-N -1 1 437.956 5.273 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119631 557450484 /nfs/dbraw/zinc/45/04/84/557450484.db2.gz JPEIJMGHEMPQEY-UHFFFAOYSA-N -1 1 446.638 5.349 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2Nc2ccc(F)cc2)cc1 ZINC000223422721 557470525 /nfs/dbraw/zinc/47/05/25/557470525.db2.gz YDGKGQCULDUQOZ-UHFFFAOYSA-N -1 1 442.512 5.244 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223426369 557471031 /nfs/dbraw/zinc/47/10/31/557471031.db2.gz CJOSXTMCGIKGTA-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1C ZINC000223437334 557472023 /nfs/dbraw/zinc/47/20/23/557472023.db2.gz XEEKCNNZLWZEEC-FQEVSTJZSA-N -1 1 436.577 5.212 40 0 IKABMM CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c([O-])c2)cc1 ZINC000017097557 557479249 /nfs/dbraw/zinc/47/92/49/557479249.db2.gz JNYIYUSXQBXHEJ-UHFFFAOYSA-N -1 1 431.517 5.198 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1C(C)C ZINC000223654826 557498034 /nfs/dbraw/zinc/49/80/34/557498034.db2.gz YDYUZVLJQDZIJJ-UHFFFAOYSA-N -1 1 425.550 5.241 40 0 IKABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)ccc1Cl ZINC000223828717 557518192 /nfs/dbraw/zinc/51/81/92/557518192.db2.gz RNXWBISAYILXKA-UHFFFAOYSA-N -1 1 447.965 5.220 40 0 IKABMM O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223927624 557529695 /nfs/dbraw/zinc/52/96/95/557529695.db2.gz GTERWIXDYSWCQW-UHFFFAOYSA-N -1 1 436.533 5.061 40 0 IKABMM Cc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C(C)C)c(C)c1 ZINC000223929829 557530240 /nfs/dbraw/zinc/53/02/40/557530240.db2.gz XWHGKTQGSOTTSG-XMMPIXPASA-N -1 1 436.577 5.231 40 0 IKABMM Cc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C(C)C)c(C)c1 ZINC000223929771 557530292 /nfs/dbraw/zinc/53/02/92/557530292.db2.gz XWHGKTQGSOTTSG-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000223942742 557532129 /nfs/dbraw/zinc/53/21/29/557532129.db2.gz WHJXGOPIBBYQRM-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)c1 ZINC000223947476 557532646 /nfs/dbraw/zinc/53/26/46/557532646.db2.gz KFOMSNTZSNAOCC-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1C ZINC000223947600 557532660 /nfs/dbraw/zinc/53/26/60/557532660.db2.gz MSXGTTFQHGBZMO-UHFFFAOYSA-N -1 1 430.614 5.357 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 ZINC000223947011 557532768 /nfs/dbraw/zinc/53/27/68/557532768.db2.gz NBJQLMUOJPUQAK-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000223946928 557532790 /nfs/dbraw/zinc/53/27/90/557532790.db2.gz AGCDVSJCYMIIDF-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 ZINC000223949801 557532963 /nfs/dbraw/zinc/53/29/63/557532963.db2.gz ITDQWKPDSIVALO-UHFFFAOYSA-N -1 1 430.614 5.357 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000223948830 557532991 /nfs/dbraw/zinc/53/29/91/557532991.db2.gz NWSDEPLIGFHYDW-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000223950757 557533305 /nfs/dbraw/zinc/53/33/05/557533305.db2.gz QCKUKYHHMIQILT-UHFFFAOYSA-N -1 1 426.563 5.160 40 0 IKABMM CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000223952195 557533530 /nfs/dbraw/zinc/53/35/30/557533530.db2.gz OZOSNJVPBMRAGE-HXUWFJFHSA-N -1 1 430.614 5.359 40 0 IKABMM CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223966084 557535660 /nfs/dbraw/zinc/53/56/60/557535660.db2.gz MHVLJNIYENKIFE-UHFFFAOYSA-N -1 1 426.513 5.004 40 0 IKABMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000223966521 557535677 /nfs/dbraw/zinc/53/56/77/557535677.db2.gz LEZLUNJCRHBEGG-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)C ZINC000223970009 557536403 /nfs/dbraw/zinc/53/64/03/557536403.db2.gz WBBLIDPOJUUPFC-HSZRJFAPSA-N -1 1 440.540 5.062 40 0 IKABMM CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccc(C)cc1C ZINC000223969712 557536422 /nfs/dbraw/zinc/53/64/22/557536422.db2.gz SNRUVIXHWIFUAG-QHCPKHFHSA-N -1 1 440.540 5.124 40 0 IKABMM Cc1cc(Cl)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974762 557537152 /nfs/dbraw/zinc/53/71/52/557537152.db2.gz SPYVKAUQXNXTPU-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000223974980 557537514 /nfs/dbraw/zinc/53/75/14/557537514.db2.gz VOXQDHRHEQBERM-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM CCc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975761 557537561 /nfs/dbraw/zinc/53/75/61/557537561.db2.gz OHSVPRFGSMPVDH-UHFFFAOYSA-N -1 1 428.941 5.264 40 0 IKABMM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 ZINC000223978154 557538019 /nfs/dbraw/zinc/53/80/19/557538019.db2.gz PTEGXZIBPJMSCM-JOCHJYFZSA-N -1 1 442.968 5.330 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1Br ZINC000223978295 557538112 /nfs/dbraw/zinc/53/81/12/557538112.db2.gz WQPAEYCDPUWJSH-UHFFFAOYSA-N -1 1 432.295 5.158 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000223992614 557540704 /nfs/dbraw/zinc/54/07/04/557540704.db2.gz WNUWWKRRBABJBY-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000223993151 557540891 /nfs/dbraw/zinc/54/08/91/557540891.db2.gz YMBHTHBFKWUKNY-UHFFFAOYSA-N -1 1 432.954 5.115 40 0 IKABMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000223993773 557540941 /nfs/dbraw/zinc/54/09/41/557540941.db2.gz GYRBRLGVKOOGLD-UHFFFAOYSA-N -1 1 426.563 5.024 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3OC(C)C)cc2C)cc1 ZINC000224000951 557542203 /nfs/dbraw/zinc/54/22/03/557542203.db2.gz PHJFIUFWQQTJEL-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1C ZINC000224002988 557542378 /nfs/dbraw/zinc/54/23/78/557542378.db2.gz XCFQTLJUVLCQEI-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cccc(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224002837 557542382 /nfs/dbraw/zinc/54/23/82/557542382.db2.gz OGKIYUPEDUQPMG-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc(C)cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 ZINC000224002908 557542395 /nfs/dbraw/zinc/54/23/95/557542395.db2.gz RSULDWQZRIVVRB-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224005232 557542705 /nfs/dbraw/zinc/54/27/05/557542705.db2.gz OEWSRWRFNHFZSL-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224005309 557542729 /nfs/dbraw/zinc/54/27/29/557542729.db2.gz XFUHRPVMVKVRPR-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1cc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 ZINC000224006217 557542941 /nfs/dbraw/zinc/54/29/41/557542941.db2.gz ADWAPTJZNNXWRE-UHFFFAOYSA-N -1 1 442.968 5.627 40 0 IKABMM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1)c1ccccc1 ZINC000224008053 557543155 /nfs/dbraw/zinc/54/31/55/557543155.db2.gz MRPKZGBDOAPEAN-NRFANRHFSA-N -1 1 442.968 5.330 40 0 IKABMM Cc1cc(C(=O)NCCC2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224008228 557543476 /nfs/dbraw/zinc/54/34/76/557543476.db2.gz AMAXBUGCUCLJDY-UHFFFAOYSA-N -1 1 449.016 5.540 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C)cc1 ZINC000224012334 557544043 /nfs/dbraw/zinc/54/40/43/557544043.db2.gz JDUQBDCOELRKNB-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM CN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224017821 557545477 /nfs/dbraw/zinc/54/54/77/557545477.db2.gz RLBCHMBTYFJEEA-UHFFFAOYSA-N -1 1 449.359 5.066 40 0 IKABMM Cc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019087 557545643 /nfs/dbraw/zinc/54/56/43/557545643.db2.gz QDPWYUXMLOTMSN-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224019793 557545888 /nfs/dbraw/zinc/54/58/88/557545888.db2.gz GJHGQTFHISLXAA-UHFFFAOYSA-N -1 1 439.295 5.186 40 0 IKABMM Cc1ccc([C@@H](NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(C)C)c(C)c1 ZINC000224025913 557547123 /nfs/dbraw/zinc/54/71/23/557547123.db2.gz LUIIEIGQAFLEPI-DEOSSOPVSA-N -1 1 436.577 5.231 40 0 IKABMM CC(C)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224028406 557547357 /nfs/dbraw/zinc/54/73/57/557547357.db2.gz GOWLRFJJROBWGA-UHFFFAOYSA-N -1 1 428.941 5.517 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000027400685 557547401 /nfs/dbraw/zinc/54/74/01/557547401.db2.gz JWQQSQABFVCYGI-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 ZINC000224033691 557548553 /nfs/dbraw/zinc/54/85/53/557548553.db2.gz ZUDHADMVYFZSCN-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM Cc1ccc(C)c(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1 ZINC000224049363 557551708 /nfs/dbraw/zinc/55/17/08/557551708.db2.gz UVUVZNMUJAOBRL-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM COc1ccc(C)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224051836 557552153 /nfs/dbraw/zinc/55/21/53/557552153.db2.gz RQIBJWKRKXKIBN-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM Cc1ccc(C(=O)NCCC2=CCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224052503 557552163 /nfs/dbraw/zinc/55/21/63/557552163.db2.gz POHPVCMGCLSPPJ-UHFFFAOYSA-N -1 1 432.973 5.070 40 0 IKABMM Cc1ccc(C(=O)NCc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224053137 557552215 /nfs/dbraw/zinc/55/22/15/557552215.db2.gz HIEADBVWBNQYPH-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224054414 557552478 /nfs/dbraw/zinc/55/24/78/557552478.db2.gz NOAAVWPYIIYTNU-QGZVFWFLSA-N -1 1 442.968 5.249 40 0 IKABMM CC(C)Oc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224063177 557553678 /nfs/dbraw/zinc/55/36/78/557553678.db2.gz WVIBFJHKUVMVPM-UHFFFAOYSA-N -1 1 444.940 5.180 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 ZINC000224063900 557553929 /nfs/dbraw/zinc/55/39/29/557553929.db2.gz UDOHFYGJLDSMSO-KRWDZBQOSA-N -1 1 442.968 5.249 40 0 IKABMM C[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 ZINC000224065015 557554241 /nfs/dbraw/zinc/55/42/41/557554241.db2.gz AOORMQBHXWTVHD-CQSZACIVSA-N -1 1 449.359 5.285 40 0 IKABMM Cc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224065513 557554250 /nfs/dbraw/zinc/55/42/50/557554250.db2.gz KJJJVSWQKQULFX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224066494 557554539 /nfs/dbraw/zinc/55/45/39/557554539.db2.gz NTYHUYLGULBFLG-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM CC(C)C(NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)C(C)C ZINC000224067068 557554752 /nfs/dbraw/zinc/55/47/52/557554752.db2.gz SOCRHPXWHJSUBJ-UHFFFAOYSA-N -1 1 443.396 5.205 40 0 IKABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000224069991 557555024 /nfs/dbraw/zinc/55/50/24/557555024.db2.gz GMBXKEWUJNVONQ-UHFFFAOYSA-N -1 1 444.940 5.019 40 0 IKABMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000224081782 557557820 /nfs/dbraw/zinc/55/78/20/557557820.db2.gz YAMKDSQIKHKHLA-UHFFFAOYSA-N -1 1 436.577 5.057 40 0 IKABMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224095238 557560100 /nfs/dbraw/zinc/56/01/00/557560100.db2.gz JINOMIZBAHLVQO-UHFFFAOYSA-N -1 1 436.577 5.057 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 ZINC000224096167 557560240 /nfs/dbraw/zinc/56/02/40/557560240.db2.gz SDKBZABEWRQKQP-UHFFFAOYSA-N -1 1 436.577 5.191 40 0 IKABMM Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224099126 557560599 /nfs/dbraw/zinc/56/05/99/557560599.db2.gz NOLNTSMSOBRQRQ-UHFFFAOYSA-N -1 1 436.577 5.023 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)Cc3cccc(Cl)c3)ccc2C)cc1 ZINC000224101182 557560895 /nfs/dbraw/zinc/56/08/95/557560895.db2.gz SRZPKZXPBJQYLT-UHFFFAOYSA-N -1 1 442.968 5.030 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)CC(C)(C)C)c(Cl)c2)cc1 ZINC000224403797 557602523 /nfs/dbraw/zinc/60/25/23/557602523.db2.gz BQCJPCYZVMBVMO-UHFFFAOYSA-N -1 1 437.005 5.394 40 0 IKABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000224525338 557616390 /nfs/dbraw/zinc/61/63/90/557616390.db2.gz KVTOZNXTFSYPFY-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000224525606 557616466 /nfs/dbraw/zinc/61/64/66/557616466.db2.gz QBSFLWOXWKTWCH-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000224525260 557616496 /nfs/dbraw/zinc/61/64/96/557616496.db2.gz NZLXCSPIOXMGPX-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)cc1Cl ZINC000224534504 557617833 /nfs/dbraw/zinc/61/78/33/557617833.db2.gz FMPBINSKAGGBNR-UHFFFAOYSA-N -1 1 446.981 5.180 40 0 IKABMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224536075 557617922 /nfs/dbraw/zinc/61/79/22/557617922.db2.gz TWKGGDCLLDRBBY-HNNXBMFYSA-N -1 1 446.981 5.260 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000224537085 557618018 /nfs/dbraw/zinc/61/80/18/557618018.db2.gz SOQICVFSBQMVEF-GOSISDBHSA-N -1 1 440.590 5.056 40 0 IKABMM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000224536033 557618026 /nfs/dbraw/zinc/61/80/26/557618026.db2.gz TWKGGDCLLDRBBY-OAHLLOKOSA-N -1 1 446.981 5.260 40 0 IKABMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000224540884 557618805 /nfs/dbraw/zinc/61/88/05/557618805.db2.gz XCMHZCODLPTZIU-UHFFFAOYSA-N -1 1 428.941 5.021 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2cccc3ccccc32)cc1 ZINC000224567840 557624869 /nfs/dbraw/zinc/62/48/69/557624869.db2.gz LYWSPGVRTAXCIL-UHFFFAOYSA-N -1 1 444.556 5.520 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000225056362 557683539 /nfs/dbraw/zinc/68/35/39/557683539.db2.gz MFNUCNQDQXIFLX-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c(C)c1 ZINC000225055739 557683581 /nfs/dbraw/zinc/68/35/81/557683581.db2.gz WTQCSOIMYLXZKN-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000225580046 557746340 /nfs/dbraw/zinc/74/63/40/557746340.db2.gz AMXBDCYABKGBPV-LJQANCHMSA-N -1 1 436.577 5.158 40 0 IKABMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225738550 557770984 /nfs/dbraw/zinc/77/09/84/557770984.db2.gz DLANPICIQODCAI-UHFFFAOYSA-N -1 1 438.574 5.036 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000010314227 569222411 /nfs/dbraw/zinc/22/24/11/569222411.db2.gz PGDCWHPOAHYRQA-UHFFFAOYSA-N -1 1 449.359 5.033 40 0 IKABMM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010314553 569222513 /nfs/dbraw/zinc/22/25/13/569222513.db2.gz SJEWTTUNHMCGSI-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 ZINC000010314496 569222549 /nfs/dbraw/zinc/22/25/49/569222549.db2.gz SXXIZGSZTYSLQG-UHFFFAOYSA-N -1 1 432.904 5.149 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C)cc1 ZINC000010315328 569222761 /nfs/dbraw/zinc/22/27/61/569222761.db2.gz DHJQTAOZULKCFA-UHFFFAOYSA-N -1 1 448.466 5.375 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 ZINC000010328266 569223167 /nfs/dbraw/zinc/22/31/67/569223167.db2.gz FIAWZIXVGUSPBV-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000010358888 569223733 /nfs/dbraw/zinc/22/37/33/569223733.db2.gz IRMMVPISEJMGFH-UHFFFAOYSA-N -1 1 434.439 5.067 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2C)cc1 ZINC000010365203 569223891 /nfs/dbraw/zinc/22/38/91/569223891.db2.gz XFGRVEZGOMLQRR-UHFFFAOYSA-N -1 1 438.549 5.144 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)cc1 ZINC000010369102 569224138 /nfs/dbraw/zinc/22/41/38/569224138.db2.gz MDKCFYGQDOWYGF-UHFFFAOYSA-N -1 1 442.540 5.715 40 0 IKABMM CSc1ccccc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010371425 569224171 /nfs/dbraw/zinc/22/41/71/569224171.db2.gz UIEAKGKQZXGBDG-UHFFFAOYSA-N -1 1 426.563 5.078 40 0 IKABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000020571376 569241473 /nfs/dbraw/zinc/24/14/73/569241473.db2.gz QVNMRYHXNIRDRO-UHFFFAOYSA-N -1 1 435.332 5.355 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028206942 569242773 /nfs/dbraw/zinc/24/27/73/569242773.db2.gz IEZKVPNQGLSJJY-INIZCTEOSA-N -1 1 440.952 5.041 40 0 IKABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc32)ccc1C ZINC000033629362 569245091 /nfs/dbraw/zinc/24/50/91/569245091.db2.gz XREOPNRWOKBUHI-UHFFFAOYSA-N -1 1 430.529 5.510 40 0 IKABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 ZINC000033717971 569246102 /nfs/dbraw/zinc/24/61/02/569246102.db2.gz YDOCMCWKCKQJCT-UHFFFAOYSA-N -1 1 428.941 5.318 40 0 IKABMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000033729759 569246271 /nfs/dbraw/zinc/24/62/71/569246271.db2.gz AYCCDQZNIGOIPC-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000033784038 569246860 /nfs/dbraw/zinc/24/68/60/569246860.db2.gz ZIQJCHZCNQDBDU-UHFFFAOYSA-N -1 1 438.549 5.064 40 0 IKABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)c1 ZINC000035124578 569248251 /nfs/dbraw/zinc/24/82/51/569248251.db2.gz CUIMVTKSIJMVQW-UHFFFAOYSA-N -1 1 449.359 5.663 40 0 IKABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 ZINC000035151439 569248359 /nfs/dbraw/zinc/24/83/59/569248359.db2.gz HBSAXAGAFTVAMW-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1C ZINC000035334912 569248474 /nfs/dbraw/zinc/24/84/74/569248474.db2.gz WBTZQQVYSVJWMD-UHFFFAOYSA-N -1 1 444.556 5.818 40 0 IKABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc2ccccc2o1 ZINC000058058978 569249570 /nfs/dbraw/zinc/24/95/70/569249570.db2.gz TZWWONKGBBFCSH-UHFFFAOYSA-N -1 1 426.881 5.139 40 0 IKABMM O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)CCCC2 ZINC000257221349 569276142 /nfs/dbraw/zinc/27/61/42/569276142.db2.gz DORDDTXETDWAQA-FQEVSTJZSA-N -1 1 448.588 5.124 40 0 IKABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)CCCC2 ZINC000257221350 569276205 /nfs/dbraw/zinc/27/62/05/569276205.db2.gz DORDDTXETDWAQA-HXUWFJFHSA-N -1 1 448.588 5.124 40 0 IKABMM O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1cccc2ccccc21 ZINC000257321200 569279247 /nfs/dbraw/zinc/27/92/47/569279247.db2.gz WAOSIKXTRICSMO-SFHVURJKSA-N -1 1 444.556 5.398 40 0 IKABMM