smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223749 194075306 /nfs/dbraw/zinc/07/53/06/194075306.db2.gz XEZSJKDPGGACTF-UHFFFAOYSA-N -1 3 474.542 4.216 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022539733 524249003 /nfs/dbraw/zinc/24/90/03/524249003.db2.gz IXVIEEIMOHDBLI-KKSFZXQISA-N -1 3 490.984 4.255 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020020199 525135642 /nfs/dbraw/zinc/13/56/42/525135642.db2.gz NJCGPHMHYKXAPS-GOSISDBHSA-N -1 3 454.548 4.061 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000016293320 525302503 /nfs/dbraw/zinc/30/25/03/525302503.db2.gz ADABPJCCJMZXQG-HXUWFJFHSA-N -1 3 452.576 4.312 40 0 JIABHM O=C(NCCCN1CCc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020461778 527674467 /nfs/dbraw/zinc/67/44/67/527674467.db2.gz IWRBIJOQOUTFCQ-UHFFFAOYSA-N -1 3 469.994 4.323 40 0 JIABHM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000009694965 555424795 /nfs/dbraw/zinc/42/47/95/555424795.db2.gz YDPAHOAKJMCASQ-UHFFFAOYSA-N -1 3 450.969 4.391 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 ZINC000020019850 555595851 /nfs/dbraw/zinc/59/58/51/555595851.db2.gz FMBBYSMNANVQAI-XMMPIXPASA-N -1 3 450.560 4.368 40 0 JIABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020020201 555596499 /nfs/dbraw/zinc/59/64/99/555596499.db2.gz NJCGPHMHYKXAPS-SFHVURJKSA-N -1 3 454.548 4.061 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(Cl)c2)cc1 ZINC000020023314 555601156 /nfs/dbraw/zinc/60/11/56/555601156.db2.gz IKAAWCJXXINSFD-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc(Br)c1[O-] ZINC000013915647 555647297 /nfs/dbraw/zinc/64/72/97/555647297.db2.gz YSMIIHJNVQUNHY-GOSISDBHSA-N -1 3 460.328 4.128 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)cc1 ZINC000014396749 555802580 /nfs/dbraw/zinc/80/25/80/555802580.db2.gz XOECBCJMNBJHIT-MRXNPFEDSA-N -1 3 458.511 4.431 40 0 JIABHM COc1ccccc1[N-]S(=O)(=O)CCCCCCCCS(=O)(=O)Nc1ccccc1OC ZINC000016248144 556131116 /nfs/dbraw/zinc/13/11/16/556131116.db2.gz WEDXNZHECADBFE-UHFFFAOYSA-N -1 3 484.640 4.228 40 0 JIABHM CC(=O)c1ccc(-c2ccc([C@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C([O-])c3ccccc3)o2)cc1 ZINC000027755435 556306313 /nfs/dbraw/zinc/30/63/13/556306313.db2.gz YFXBGKAKTNERBM-MZKRTTBSSA-N -1 3 472.419 4.253 40 0 JIABHM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)CCCC2 ZINC000030869162 556384425 /nfs/dbraw/zinc/38/44/25/556384425.db2.gz TZZUNTSHESOFFP-UHFFFAOYSA-N -1 3 456.973 4.081 40 0 JIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2OC)c1 ZINC000100626323 569765842 /nfs/dbraw/zinc/76/58/42/569765842.db2.gz SAUBBCXGPBQBGT-VXNXHJTFSA-N -1 3 494.931 4.417 40 0 JIABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101026604 569780050 /nfs/dbraw/zinc/78/00/50/569780050.db2.gz GZHXOGAEXSANMA-HKBOAZHASA-N -1 3 496.304 4.342 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101053973 569780543 /nfs/dbraw/zinc/78/05/43/569780543.db2.gz JMFMTIDPAFEIIF-FKBYEOEOSA-N -1 3 495.329 4.214 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccc(F)cc2)cc1 ZINC000101129896 569783953 /nfs/dbraw/zinc/78/39/53/569783953.db2.gz BWFLKAYZLZOWIC-HJOGWXRNSA-N -1 3 474.488 4.362 40 0 JIABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000101240469 569787926 /nfs/dbraw/zinc/78/79/26/569787926.db2.gz MEOVXIPFMQXRAW-VABKMULXSA-N -1 3 450.441 4.415 40 0 JIABHM C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000038774155 569807878 /nfs/dbraw/zinc/80/78/78/569807878.db2.gz RDQCPLPIMFAPHJ-HNNXBMFYSA-N -1 3 471.966 4.455 40 0 JIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000222800184 569891377 /nfs/dbraw/zinc/89/13/77/569891377.db2.gz ILZFBUKOZQMZKM-UHFFFAOYSA-N -1 3 458.967 4.453 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1CCOc2ccccc21 ZINC000222800973 569891415 /nfs/dbraw/zinc/89/14/15/569891415.db2.gz LTMRJHUBERMTEC-UHFFFAOYSA-N -1 3 472.950 4.254 40 0 JIABHM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000223283229 569906085 /nfs/dbraw/zinc/90/60/85/569906085.db2.gz NEEWIRPOOWMHGP-SNVBAGLBSA-N -1 3 469.375 4.237 40 0 JIABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000223634685 569918577 /nfs/dbraw/zinc/91/85/77/569918577.db2.gz UJHMVHKKWGVYHL-UHFFFAOYSA-N -1 3 464.385 4.416 40 0 JIABHM COc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000224410735 569943758 /nfs/dbraw/zinc/94/37/58/569943758.db2.gz BQSQNEYNZYIXJF-UHFFFAOYSA-N -1 3 474.966 4.267 40 0 JIABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc2O1 ZINC000224846428 569960193 /nfs/dbraw/zinc/96/01/93/569960193.db2.gz XIWWVRZQGQIPBK-QGZVFWFLSA-N -1 3 472.592 4.151 40 0 JIABHM CCC1(CC)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2O1 ZINC000225576023 570006849 /nfs/dbraw/zinc/00/68/49/570006849.db2.gz ZGEHGCCPODLIDH-GOSISDBHSA-N -1 3 486.619 4.460 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1Cl ZINC000408674844 570009470 /nfs/dbraw/zinc/00/94/70/570009470.db2.gz DBVYRYCRBBTEIA-UHFFFAOYSA-N -1 3 462.930 4.284 40 0 JIABHM COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408675001 570009880 /nfs/dbraw/zinc/00/98/80/570009880.db2.gz ONZRRSSRLIYHIA-UHFFFAOYSA-N -1 3 482.602 4.159 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)c(C)c2)cc1C ZINC000408675097 570010008 /nfs/dbraw/zinc/01/00/08/570010008.db2.gz RMAYKENYXLDPQE-UHFFFAOYSA-N -1 3 493.629 4.140 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2)cc1 ZINC000408675450 570010241 /nfs/dbraw/zinc/01/02/41/570010241.db2.gz ZQQQOYQGPFREOY-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408679304 570011696 /nfs/dbraw/zinc/01/16/96/570011696.db2.gz VUMNZAXZLXZGAN-UHFFFAOYSA-N -1 3 486.521 4.129 40 0 JIABHM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1[O-] ZINC000409053806 570110911 /nfs/dbraw/zinc/11/09/11/570110911.db2.gz PYLYKKUJAWFNOT-YBEGLDIGSA-N -1 3 468.300 4.418 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257284392 570133953 /nfs/dbraw/zinc/13/39/53/570133953.db2.gz PCMOWADZUVWWIW-DEOSSOPVSA-N -1 3 482.596 4.371 40 0 JIABHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-][C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 ZINC000257287976 570135038 /nfs/dbraw/zinc/13/50/38/570135038.db2.gz PSGVANKVLQRMGS-LPRJVYFCSA-N -1 3 465.566 4.448 40 0 JIABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc([O-])ccc1Br ZINC000261363534 570168020 /nfs/dbraw/zinc/16/80/20/570168020.db2.gz HKBZZHQXBQRWGS-SFHVURJKSA-O -1 3 460.377 4.469 40 0 JIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408553247 570195762 /nfs/dbraw/zinc/19/57/62/570195762.db2.gz PKJMAAIUOFEGRL-UHFFFAOYSA-N -1 3 489.391 4.254 40 0 JIABHM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408583299 570207230 /nfs/dbraw/zinc/20/72/30/570207230.db2.gz HCEQGSUXBMWNNB-UHFFFAOYSA-N -1 3 491.928 4.256 40 0 JIABHM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000408584960 570207750 /nfs/dbraw/zinc/20/77/50/570207750.db2.gz XEQITXYSPLOWPC-UHFFFAOYSA-N -1 3 473.938 4.117 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(Cl)c2)cc1 ZINC000408591035 570209125 /nfs/dbraw/zinc/20/91/25/570209125.db2.gz INKPMNZOGQLDBZ-UHFFFAOYSA-N -1 3 470.978 4.413 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1Cl ZINC000408591959 570209343 /nfs/dbraw/zinc/20/93/43/570209343.db2.gz MPXASMCWDUYLPS-UHFFFAOYSA-N -1 3 458.967 4.187 40 0 JIABHM Cc1cc(C)c(NC(=O)CSCc2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)c(C)c1 ZINC000001221422 194074257 /nfs/dbraw/zinc/07/42/57/194074257.db2.gz NAODKIYFAXEHRR-UHFFFAOYSA-N -1 3 482.997 4.426 40 0 JIABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)Nc4ccc(C(C)C)cc4)CC2)[n-]c3=O)cc1 ZINC000001324594 194085723 /nfs/dbraw/zinc/08/57/23/194085723.db2.gz CIWIXGJUTBPTIZ-UHFFFAOYSA-N -1 3 485.592 4.406 40 0 JIABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)NC4CCCCC4)CC2)[n-]c3=O)cc1 ZINC000001324745 194085854 /nfs/dbraw/zinc/08/58/54/194085854.db2.gz ZAECCZXQKKSATJ-UHFFFAOYSA-N -1 3 491.640 4.082 40 0 JIABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C2)[n-]c3=O)c1 ZINC000001333976 194092661 /nfs/dbraw/zinc/09/26/61/194092661.db2.gz AURDASHBNHVTNH-OAQYLSRUSA-N -1 3 498.631 4.497 40 0 JIABHM Cc1ccc(C)c(NC(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)c1 ZINC000001334801 194093319 /nfs/dbraw/zinc/09/33/19/194093319.db2.gz QFMSDABZUORXCK-GOSISDBHSA-N -1 3 491.983 4.245 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3OC)cc2)cc1 ZINC000020020488 521133489 /nfs/dbraw/zinc/13/34/89/521133489.db2.gz DUWOYQPKZFMBQJ-GOSISDBHSA-N -1 3 484.574 4.151 40 0 JIABHM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(OC)c1OC ZINC000020455846 524066658 /nfs/dbraw/zinc/06/66/58/524066658.db2.gz KWRPWMSXWYLLEN-UHFFFAOYSA-N -1 3 490.965 4.097 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022539736 524251934 /nfs/dbraw/zinc/25/19/34/524251934.db2.gz IXVIEEIMOHDBLI-HRAATJIYSA-N -1 3 490.984 4.255 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2Cl)cc1 ZINC000020494765 525600295 /nfs/dbraw/zinc/60/02/95/525600295.db2.gz KLHXCLBPTSFNOI-UHFFFAOYSA-N -1 3 458.923 4.108 40 0 JIABHM O=C(CSc1nnc2[n-]c(=O)c(-c3ccc(Cl)cc3)nn21)c1ccc(Br)cc1 ZINC000022720316 527091858 /nfs/dbraw/zinc/09/18/58/527091858.db2.gz OSNTXKVVGVZRHS-UHFFFAOYSA-N -1 3 476.743 4.283 40 0 JIABHM CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2C)nc1C ZINC000006599601 554554552 /nfs/dbraw/zinc/55/45/52/554554552.db2.gz LELJCYXGZVOZHM-UHFFFAOYSA-N -1 3 483.575 4.013 40 0 JIABHM CC(=O)[C@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000009109648 554898084 /nfs/dbraw/zinc/89/80/84/554898084.db2.gz BBELLZXOZFNQMS-MEWSVHOLSA-N -1 3 452.485 4.388 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585939 555524213 /nfs/dbraw/zinc/52/42/13/555524213.db2.gz KXIAEHOMYHJVNR-UHFFFAOYSA-N -1 3 459.376 4.450 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000020009555 555584923 /nfs/dbraw/zinc/58/49/23/555584923.db2.gz GLEVPUWFONPHOS-NRFANRHFSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000020009520 555584943 /nfs/dbraw/zinc/58/49/43/555584943.db2.gz HNJQEYVSLXNLBN-HXUWFJFHSA-N -1 3 458.967 4.185 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000020009564 555585225 /nfs/dbraw/zinc/58/52/25/555585225.db2.gz MSHJUOSRGKMWDD-OAQYLSRUSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000020020052 555596197 /nfs/dbraw/zinc/59/61/97/555596197.db2.gz COARAURPPKXQEY-GOSISDBHSA-N -1 3 454.548 4.061 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000020020127 555596572 /nfs/dbraw/zinc/59/65/72/555596572.db2.gz UMTBCQPKVLILNY-LJQANCHMSA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1Cl ZINC000020020978 555598145 /nfs/dbraw/zinc/59/81/45/555598145.db2.gz PFGYHGXOXZPRKE-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013751333 555609541 /nfs/dbraw/zinc/60/95/41/555609541.db2.gz ZWXHENJJFBRMMR-VJBWXMMDSA-N -1 3 464.905 4.408 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cc1 ZINC000020050384 555619687 /nfs/dbraw/zinc/61/96/87/555619687.db2.gz WODNEYYYCNMSMC-UHFFFAOYSA-N -1 3 463.559 4.171 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 ZINC000014400479 555805823 /nfs/dbraw/zinc/80/58/23/555805823.db2.gz VSTGSDNHHPJATK-UHFFFAOYSA-N -1 3 470.547 4.302 40 0 JIABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCCC1 ZINC000022246390 555896318 /nfs/dbraw/zinc/89/63/18/555896318.db2.gz CCUSEWZQQLTFKP-IBGZPJMESA-N -1 3 455.407 4.286 40 0 JIABHM CC1CCN(C(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246373 555896453 /nfs/dbraw/zinc/89/64/53/555896453.db2.gz SMLSYWVSRAGKNV-LJQANCHMSA-N -1 3 455.407 4.142 40 0 JIABHM CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013083140 556279154 /nfs/dbraw/zinc/27/91/54/556279154.db2.gz LPISOMBZCQUCMB-UHFFFAOYSA-N -1 3 450.587 4.169 40 0 JIABHM CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000013083439 556279892 /nfs/dbraw/zinc/27/98/92/556279892.db2.gz KSINKBOZJLSVLC-SFHVURJKSA-N -1 3 450.587 4.025 40 0 JIABHM CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083629 556280291 /nfs/dbraw/zinc/28/02/91/556280291.db2.gz WGMNKYCMXFUESZ-ZDUSSCGKSA-N -1 3 463.369 4.034 40 0 JIABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027749795 556305582 /nfs/dbraw/zinc/30/55/82/556305582.db2.gz ZHCQVLVRZGUEJE-KNKQGSTJSA-N -1 3 462.399 4.498 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c(C)c1 ZINC000030862296 556382249 /nfs/dbraw/zinc/38/22/49/556382249.db2.gz VJEOFNAYSQCWIV-UHFFFAOYSA-N -1 3 477.586 4.479 40 0 JIABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1[O-] ZINC000033709349 569631312 /nfs/dbraw/zinc/63/13/12/569631312.db2.gz QTKKKLDGIZTNGA-OVCLIPMQSA-N -1 3 482.308 4.170 40 0 JIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Br)c1 ZINC000033778699 569634551 /nfs/dbraw/zinc/63/45/51/569634551.db2.gz VKHLKKBZHOJVBM-SECBINFHSA-N -1 3 452.157 4.061 40 0 JIABHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035099254 569674724 /nfs/dbraw/zinc/67/47/24/569674724.db2.gz ZHCQVLVRZGUEJE-WOIUINJBSA-N -1 3 462.399 4.498 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000095396965 569723170 /nfs/dbraw/zinc/72/31/70/569723170.db2.gz GCEGBVWWMQCHPV-FKBYEOEOSA-N -1 3 462.527 4.284 40 0 JIABHM O=C(c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2)c1ccccc1 ZINC000096191951 569737269 /nfs/dbraw/zinc/73/72/69/569737269.db2.gz CGDFOJKIKUQAIK-PZJWPPBQSA-N -1 3 474.314 4.066 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101168368 569785647 /nfs/dbraw/zinc/78/56/47/569785647.db2.gz XNAWUXHNKFQZPE-FSSWDIPSSA-N -1 3 450.878 4.105 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724329 569817630 /nfs/dbraw/zinc/81/76/30/569817630.db2.gz MCLUSCOJDLOQOY-FDFHNCONSA-N -1 3 450.878 4.105 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102730647 569818176 /nfs/dbraw/zinc/81/81/76/569818176.db2.gz JMFMTIDPAFEIIF-BHIFYINESA-N -1 3 495.329 4.214 40 0 JIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102755857 569821225 /nfs/dbraw/zinc/82/12/25/569821225.db2.gz QPELFQUWYHBPOB-HKBOAZHASA-N -1 3 493.313 4.198 40 0 JIABHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395935 569825482 /nfs/dbraw/zinc/82/54/82/569825482.db2.gz AVZPTSMLDFJCEV-UHFFFAOYSA-N -1 3 479.327 4.359 40 0 JIABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399174 569826200 /nfs/dbraw/zinc/82/62/00/569826200.db2.gz QUJDJJDGGJVQHD-KRWDZBQOSA-N -1 3 459.893 4.385 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1Br ZINC000040414088 569827991 /nfs/dbraw/zinc/82/79/91/569827991.db2.gz VJFZFRAJASOQPH-UHFFFAOYSA-N -1 3 482.137 4.172 40 0 JIABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000107983460 569858161 /nfs/dbraw/zinc/85/81/61/569858161.db2.gz USWNVCGSOAGPKI-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c(OC)c1 ZINC000108071266 569858521 /nfs/dbraw/zinc/85/85/21/569858521.db2.gz VQDFJXFGMKSJDJ-UHFFFAOYSA-N -1 3 470.547 4.139 40 0 JIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000137675952 569865151 /nfs/dbraw/zinc/86/51/51/569865151.db2.gz QBDDFGGAIVCOHJ-RJGXRXQPSA-N -1 3 464.905 4.408 40 0 JIABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000139089831 569867045 /nfs/dbraw/zinc/86/70/45/569867045.db2.gz QPGRGYJGQALLCH-OXQOHEQNSA-N -1 3 473.533 4.006 40 0 JIABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000222695760 569888809 /nfs/dbraw/zinc/88/88/09/569888809.db2.gz KVNLZCFAZOATRX-UHFFFAOYSA-N -1 3 454.548 4.155 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)cc1Cl ZINC000222739647 569889980 /nfs/dbraw/zinc/88/99/80/569889980.db2.gz YMYXHXBJEVONAY-UHFFFAOYSA-N -1 3 472.950 4.254 40 0 JIABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000222812281 569891755 /nfs/dbraw/zinc/89/17/55/569891755.db2.gz GMCPXNZXDNFEPF-UHFFFAOYSA-N -1 3 468.575 4.463 40 0 JIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c(Cl)c1 ZINC000222852485 569892775 /nfs/dbraw/zinc/89/27/75/569892775.db2.gz YEMAEJLJRHMRKK-UHFFFAOYSA-N -1 3 454.986 4.108 40 0 JIABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1CCCN1CCOCC1 ZINC000224598842 569950017 /nfs/dbraw/zinc/95/00/17/569950017.db2.gz LTILKWMNYIVAHH-CLJLJLNGSA-N -1 3 491.661 4.105 40 0 JIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)c1 ZINC000408596333 569966741 /nfs/dbraw/zinc/96/67/41/569966741.db2.gz UHVYCERAUCIIFV-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1Cl ZINC000408600629 569968690 /nfs/dbraw/zinc/96/86/90/569968690.db2.gz BKLHKDSWHWSATR-UHFFFAOYSA-N -1 3 470.978 4.413 40 0 JIABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408612047 569972988 /nfs/dbraw/zinc/97/29/88/569972988.db2.gz YCHAZPRLSFAXHJ-LBPRGKRZSA-N -1 3 464.893 4.452 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(Cl)c2)cc1 ZINC000408636070 569986339 /nfs/dbraw/zinc/98/63/39/569986339.db2.gz KWRIHRJLWIBWNT-UHFFFAOYSA-N -1 3 486.977 4.113 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000408636397 569986690 /nfs/dbraw/zinc/98/66/90/569986690.db2.gz POVNSTQXGWIMKU-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(NC(C)=O)c3)c(C)c2)cc1 ZINC000408674665 570009364 /nfs/dbraw/zinc/00/93/64/570009364.db2.gz DXHZAXAGEMNKPI-UHFFFAOYSA-N -1 3 497.573 4.170 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)c(C)c2)cc1C ZINC000408675455 570010314 /nfs/dbraw/zinc/01/03/14/570010314.db2.gz ZYOBNYOJFJDGQF-UHFFFAOYSA-N -1 3 464.587 4.376 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c(OC)c1 ZINC000408675949 570010506 /nfs/dbraw/zinc/01/05/06/570010506.db2.gz MFKHIARWJBQPHU-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3)s1)CC(C)(C)O2 ZINC000225829975 570023828 /nfs/dbraw/zinc/02/38/28/570023828.db2.gz KXSOWZVCVBKZDT-INIZCTEOSA-N -1 3 493.010 4.333 40 0 JIABHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccc(Cl)cc3)s1)CC(C)(C)O2 ZINC000225829988 570023872 /nfs/dbraw/zinc/02/38/72/570023872.db2.gz KXSOWZVCVBKZDT-MRXNPFEDSA-N -1 3 493.010 4.333 40 0 JIABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)N=N2)cc1 ZINC000408717946 570025937 /nfs/dbraw/zinc/02/59/37/570025937.db2.gz PEOOPOJQAAPSID-UHFFFAOYSA-N -1 3 478.599 4.156 40 0 JIABHM CC(C)([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000225923635 570027927 /nfs/dbraw/zinc/02/79/27/570027927.db2.gz CIBQERBWZZNMCH-UHFFFAOYSA-N -1 3 468.856 4.214 40 0 JIABHM C=C(OCCCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253620376 570105262 /nfs/dbraw/zinc/10/52/62/570105262.db2.gz MLSGEINZNZXCBA-OXQOHEQNSA-N -1 3 479.581 4.413 40 0 JIABHM COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3Cc3cc(C)c(O)c(C(=O)[O-])c3)O[C@H]21 ZINC000257272932 570130456 /nfs/dbraw/zinc/13/04/56/570130456.db2.gz NELFQAHAOIFPPC-FAKFISEUSA-N -1 3 453.535 4.299 40 0 JIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccccc1F ZINC000408554549 570196370 /nfs/dbraw/zinc/19/63/70/570196370.db2.gz BWXGNIFYSICRSC-UHFFFAOYSA-N -1 3 471.510 4.236 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556754 570197702 /nfs/dbraw/zinc/19/77/02/570197702.db2.gz JQNZGZDQNNRJQR-UHFFFAOYSA-N -1 3 476.938 4.419 40 0 JIABHM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1 ZINC000408561995 570201543 /nfs/dbraw/zinc/20/15/43/570201543.db2.gz MNDMNDVFQLTILJ-UHFFFAOYSA-N -1 3 492.912 4.084 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1OC ZINC000408587562 570208387 /nfs/dbraw/zinc/20/83/87/570208387.db2.gz BNQGLSXQAGCJEK-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM COc1cc([C@@H]2SCC(=O)N2[N-]C(=O)COc2c(Cl)cc(Cl)cc2Cl)ccc1O ZINC000001084171 194020891 /nfs/dbraw/zinc/02/08/91/194020891.db2.gz NAYWXDBZGJTGMO-SFHVURJKSA-N -1 3 477.753 4.045 40 0 JIABHM Cc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000001325076 194086093 /nfs/dbraw/zinc/08/60/93/194086093.db2.gz BPPNIDLZGYRNJD-UHFFFAOYSA-N -1 3 497.386 4.198 40 0 JIABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000022514345 522887069 /nfs/dbraw/zinc/88/70/69/522887069.db2.gz FBZBKDMPSYFQPH-QHCPKHFHSA-N -1 3 470.547 4.301 40 0 JIABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000022514338 523051990 /nfs/dbraw/zinc/05/19/90/523051990.db2.gz FBZBKDMPSYFQPH-HSZRJFAPSA-N -1 3 470.547 4.301 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Br)cc1 ZINC000016490412 526967498 /nfs/dbraw/zinc/96/74/98/526967498.db2.gz YEBTUDYJGQOODT-UHFFFAOYSA-N -1 3 461.337 4.267 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000013617194 555536982 /nfs/dbraw/zinc/53/69/82/555536982.db2.gz HUIYPMWXPZQSQU-VJBWXMMDSA-N -1 3 464.905 4.408 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cc(C)ccc1C ZINC000020009536 555584822 /nfs/dbraw/zinc/58/48/22/555584822.db2.gz WDNXCVKEHTVHAS-NRFANRHFSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000020010057 555586007 /nfs/dbraw/zinc/58/60/07/555586007.db2.gz PUJWXAUEPQRJSM-KRWDZBQOSA-N -1 3 498.910 4.294 40 0 JIABHM 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40 0 JIABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1[O-] ZINC000409248733 570185203 /nfs/dbraw/zinc/18/52/03/570185203.db2.gz IFZQMZRURCWXBP-OVCLIPMQSA-N -1 3 497.754 4.492 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1Cl ZINC000408531352 570188044 /nfs/dbraw/zinc/18/80/44/570188044.db2.gz MVFBBTRBINJPCM-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408560385 570200354 /nfs/dbraw/zinc/20/03/54/570200354.db2.gz OVLRIAQAKREJJL-UHFFFAOYSA-N -1 3 491.363 4.276 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408562415 570201751 /nfs/dbraw/zinc/20/17/51/570201751.db2.gz ZTRRENRNFPXETE-UHFFFAOYSA-N -1 3 476.938 4.176 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1 ZINC000408584838 570207770 /nfs/dbraw/zinc/20/77/70/570207770.db2.gz VTPIGBDHGGLPTC-UHFFFAOYSA-N -1 3 460.596 4.494 40 0 JIABHM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 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/nfs/dbraw/zinc/82/74/66/569827466.db2.gz WUVVBVYSPGQIHD-OAHLLOKOSA-N -1 3 471.439 4.159 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1Cl ZINC000108990954 569860235 /nfs/dbraw/zinc/86/02/35/569860235.db2.gz PASFISPQKMQVAG-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)SC[C@H](N)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923074 569863684 /nfs/dbraw/zinc/86/36/84/569863684.db2.gz XFSLRTNEYJQNTE-IHPXFDPXSA-N -1 3 480.671 4.184 40 0 JIABHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1[O-] ZINC000214329202 569876564 /nfs/dbraw/zinc/87/65/64/569876564.db2.gz AFVUEXAAFLAVHP-OVCLIPMQSA-N -1 3 485.274 4.381 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1 ZINC000222673263 569888223 /nfs/dbraw/zinc/88/82/23/569888223.db2.gz SFODPSMBRZNHHT-UHFFFAOYSA-N -1 3 453.545 4.423 40 0 JIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)c1 ZINC000222693275 569888765 /nfs/dbraw/zinc/88/87/65/569888765.db2.gz UHCIPUSNUXLVKJ-LJQANCHMSA-N -1 3 450.560 4.461 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000222803035 569891469 /nfs/dbraw/zinc/89/14/69/569891469.db2.gz MEIGNTWFDHNCCG-KRWDZBQOSA-N -1 3 454.523 4.292 40 0 JIABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000222802154 569891471 /nfs/dbraw/zinc/89/14/71/569891471.db2.gz CKGZMYGNJVTUTH-UHFFFAOYSA-N -1 3 474.966 4.500 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C)cc1 ZINC000223007785 569896678 /nfs/dbraw/zinc/89/66/78/569896678.db2.gz VIFMPAUZCDTVRL-INIZCTEOSA-N -1 3 450.973 4.182 40 0 JIABHM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000224025777 569930993 /nfs/dbraw/zinc/93/09/93/569930993.db2.gz FUYQWLKGTJOYAA-IBGZPJMESA-N -1 3 474.608 4.173 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224956360 569964970 /nfs/dbraw/zinc/96/49/70/569964970.db2.gz PYCNPNXDUWGHJC-UHFFFAOYSA-N -1 3 457.596 4.112 40 0 JIABHM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)CC2)c1C ZINC000408595667 569966329 /nfs/dbraw/zinc/96/63/29/569966329.db2.gz SNQLGHRQHOLPGH-UHFFFAOYSA-N -1 3 493.629 4.140 40 0 JIABHM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1C ZINC000408603473 569969980 /nfs/dbraw/zinc/96/99/80/569969980.db2.gz KGXGTYXACXXIEZ-UHFFFAOYSA-N -1 3 451.759 4.132 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCOCC1 ZINC000408617364 569976180 /nfs/dbraw/zinc/97/61/80/569976180.db2.gz CRZNKYDAAMULTF-UHFFFAOYSA-N -1 3 452.532 4.061 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408619618 569977394 /nfs/dbraw/zinc/97/73/94/569977394.db2.gz HUIVMIYQHHKCCC-SECBINFHSA-N -1 3 471.284 4.326 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(Cl)c2)cc1 ZINC000408635453 569985752 /nfs/dbraw/zinc/98/57/52/569985752.db2.gz BMCQDKRUKXHNKK-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408635729 569986050 /nfs/dbraw/zinc/98/60/50/569986050.db2.gz HWLFGXVHPZNFON-UHFFFAOYSA-N -1 3 495.384 4.498 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000225417753 569995778 /nfs/dbraw/zinc/99/57/78/569995778.db2.gz VGSZMTVOJLMMSM-FCHUYYIVSA-N -1 3 485.635 4.021 40 0 JIABHM Cc1cccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2)c1 ZINC000225517099 570001828 /nfs/dbraw/zinc/00/18/28/570001828.db2.gz DAVLLZDMMPFXEX-OAQYLSRUSA-N -1 3 478.599 4.475 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408674749 570009362 /nfs/dbraw/zinc/00/93/62/570009362.db2.gz CBBAMKZHUMJCKP-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000408674890 570009687 /nfs/dbraw/zinc/00/96/87/570009687.db2.gz DSSOVNVZGZHZBZ-UHFFFAOYSA-N -1 3 450.438 4.231 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(C)c2)cc1 ZINC000408675642 570010410 /nfs/dbraw/zinc/01/04/10/570010410.db2.gz KCROCUNIALRFTF-UHFFFAOYSA-N -1 3 454.548 4.439 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000408677869 570011101 /nfs/dbraw/zinc/01/11/01/570011101.db2.gz SAGGPJNOEUDXLH-UHFFFAOYSA-N -1 3 488.949 4.238 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000408679950 570011987 /nfs/dbraw/zinc/01/19/87/570011987.db2.gz XBDSSWPLZSMEAD-UHFFFAOYSA-N -1 3 454.548 4.439 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(C)c2)cc1 ZINC000408680417 570012178 /nfs/dbraw/zinc/01/21/78/570012178.db2.gz YUNKRSYJVXHGMF-UHFFFAOYSA-N -1 3 454.548 4.439 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000408693254 570015937 /nfs/dbraw/zinc/01/59/37/570015937.db2.gz LKYYSXVVTLYTPA-UHFFFAOYSA-N -1 3 466.559 4.311 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 ZINC000408721515 570027052 /nfs/dbraw/zinc/02/70/52/570027052.db2.gz JARGAYLGSAKTNJ-YKSBVNFPSA-N -1 3 456.564 4.202 40 0 JIABHM C=C(OCCCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253620377 570105216 /nfs/dbraw/zinc/10/52/16/570105216.db2.gz MLSGEINZNZXCBA-UZLBHIALSA-N -1 3 479.581 4.413 40 0 JIABHM COc1ccccc1N1CCC(N(CC(=O)[O-])Cc2ccc(Br)cc2F)CC1 ZINC000257287604 570134880 /nfs/dbraw/zinc/13/48/80/570134880.db2.gz PQQYSXFJEWJVMS-UHFFFAOYSA-N -1 3 451.336 4.152 40 0 JIABHM CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(OC)c3)C2=O)cc1 ZINC000409182257 570159704 /nfs/dbraw/zinc/15/97/04/570159704.db2.gz JOKKFTIHESSPJY-LICLKQGHSA-N -1 3 491.363 4.401 40 0 JIABHM Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000408543932 570192301 /nfs/dbraw/zinc/19/23/01/570192301.db2.gz QWFAGASQLSFTMX-UHFFFAOYSA-N -1 3 453.749 4.334 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(C)=O)c3)cc2)cc1Cl ZINC000408550978 570195157 /nfs/dbraw/zinc/19/51/57/570195157.db2.gz GNOBQUOBKFAWSF-UHFFFAOYSA-N -1 3 488.949 4.370 40 0 JIABHM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408583265 570207224 /nfs/dbraw/zinc/20/72/24/570207224.db2.gz GSALDMVSYOJVQL-UHFFFAOYSA-N -1 3 488.949 4.253 40 0 JIABHM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408585238 570207890 /nfs/dbraw/zinc/20/78/90/570207890.db2.gz XYZKGJRAZSNEPO-SFHVURJKSA-N -1 3 456.539 4.143 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1 ZINC000408586184 570208124 /nfs/dbraw/zinc/20/81/24/570208124.db2.gz APMUAJZTJPQGCN-UHFFFAOYSA-N -1 3 452.866 4.437 40 0 JIABHM COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2)cc1 ZINC000001223797 194075638 /nfs/dbraw/zinc/07/56/38/194075638.db2.gz AYQAFGNKTHKTQR-UHFFFAOYSA-N -1 3 474.542 4.466 40 0 JIABHM Cc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325045 194086100 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COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000044847254 522236492 /nfs/dbraw/zinc/23/64/92/522236492.db2.gz BXAAYXGPJIQCHG-UHFFFAOYSA-N -1 3 458.923 4.488 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 ZINC000020019853 525301825 /nfs/dbraw/zinc/30/18/25/525301825.db2.gz FMBBYSMNANVQAI-DEOSSOPVSA-N -1 3 450.560 4.368 40 0 JIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000044886140 527255688 /nfs/dbraw/zinc/25/56/88/527255688.db2.gz XWNSEGSGLXBSJC-UHFFFAOYSA-N -1 3 467.522 4.001 40 0 JIABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012481601 527628809 /nfs/dbraw/zinc/62/88/09/527628809.db2.gz KONZSMRKVFTIII-SFTDATJTSA-N -1 3 495.586 4.347 40 0 biogenic,in-vitro JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000008741677 554644427 /nfs/dbraw/zinc/64/44/27/554644427.db2.gz QAFGMPZFOYDIMG-OTWHNJEPSA-N -1 3 486.933 4.449 40 0 JIABHM CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009572 555585284 /nfs/dbraw/zinc/58/52/84/555585284.db2.gz IURWIQNZSCRXIS-OAQYLSRUSA-N -1 3 472.994 4.439 40 0 JIABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000010000373 555589800 /nfs/dbraw/zinc/58/98/00/555589800.db2.gz WBAHSTQLXUXIKK-VIZOYTHASA-N -1 3 452.532 4.465 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000020019981 555596183 /nfs/dbraw/zinc/59/61/83/555596183.db2.gz UEIIVAGNZRVTQL-LJQANCHMSA-N -1 3 498.601 4.378 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1OC ZINC000020020277 555597017 /nfs/dbraw/zinc/59/70/17/555597017.db2.gz UMLWEKKGPPWFGO-LJQANCHMSA-N -1 3 498.601 4.378 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cc(F)ccc1F ZINC000020020453 555597248 /nfs/dbraw/zinc/59/72/48/555597248.db2.gz KSVKJPALQCPTOZ-UHFFFAOYSA-N -1 3 452.866 4.437 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1Cl ZINC000020020981 555598138 /nfs/dbraw/zinc/59/81/38/555598138.db2.gz KGUJUSVCUDKATH-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(C)c2)cc1 ZINC000020022546 555600257 /nfs/dbraw/zinc/60/02/57/555600257.db2.gz IJGVLAPPWVMRCY-UHFFFAOYSA-N -1 3 476.501 4.490 40 0 JIABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000013779074 555618089 /nfs/dbraw/zinc/61/80/89/555618089.db2.gz QPELFQUWYHBPOB-QHAWAJNXSA-N -1 3 493.313 4.198 40 0 JIABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000014291490 555793396 /nfs/dbraw/zinc/79/33/96/555793396.db2.gz NJNIXSBZOKXUOF-UHFFFAOYSA-N -1 3 450.969 4.391 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)cc3)cc2)cc1 ZINC000022869115 555962929 /nfs/dbraw/zinc/96/29/29/555962929.db2.gz KYSOLZZWPRKMAH-UHFFFAOYSA-N -1 3 458.561 4.235 40 0 JIABHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000018702639 556323411 /nfs/dbraw/zinc/32/34/11/556323411.db2.gz AYAHNICNNHNQRI-UHFFFAOYSA-N -1 3 462.984 4.285 40 0 JIABHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000018702436 556323536 /nfs/dbraw/zinc/32/35/36/556323536.db2.gz DWRSBWWEYZMYEZ-UHFFFAOYSA-N -1 3 462.984 4.285 40 0 JIABHM CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)C1 ZINC000008582856 562940058 /nfs/dbraw/zinc/94/00/58/562940058.db2.gz DOSIRIXVKFAYNZ-LJQANCHMSA-N -1 3 487.564 4.094 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000033701354 569631048 /nfs/dbraw/zinc/63/10/48/569631048.db2.gz IUBOSXJCUNMROR-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1Cl ZINC000034744651 569655579 /nfs/dbraw/zinc/65/55/79/569655579.db2.gz BHHRLVIZTOEYIX-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000100799081 569770468 /nfs/dbraw/zinc/77/04/68/569770468.db2.gz RTCSXXQUPAKSCE-SGNDLWITSA-N -1 3 456.498 4.223 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000100815270 569770737 /nfs/dbraw/zinc/77/07/37/569770737.db2.gz NKEZYWTWEOVIMM-VJBWXMMDSA-N -1 3 492.915 4.186 40 0 JIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(F)c(F)c1F ZINC000038185344 569800411 /nfs/dbraw/zinc/80/04/11/569800411.db2.gz YDAWQPSPLIIMHH-UHFFFAOYSA-N -1 3 459.247 4.088 40 0 JIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(F)c(F)c1F ZINC000038185344 569800413 /nfs/dbraw/zinc/80/04/13/569800413.db2.gz YDAWQPSPLIIMHH-UHFFFAOYSA-N -1 3 459.247 4.088 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(Cl)c2)cc1 ZINC000038556564 569805276 /nfs/dbraw/zinc/80/52/76/569805276.db2.gz ZFSONPWMTLKBID-UHFFFAOYSA-N -1 3 466.987 4.321 40 0 JIABHM C=C(OCCCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389029 569824886 /nfs/dbraw/zinc/82/48/86/569824886.db2.gz MLSGEINZNZXCBA-JXFKEZNVSA-N -1 3 479.581 4.001 40 0 JIABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399352 569826504 /nfs/dbraw/zinc/82/65/04/569826504.db2.gz ZRLVEUNGPAIERO-KRWDZBQOSA-N -1 3 459.893 4.385 40 0 JIABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[n-]c(=O)c32)c(F)c1 ZINC000040399503 569826678 /nfs/dbraw/zinc/82/66/78/569826678.db2.gz ZXTPXCNTXZJPNR-CYBMUJFWSA-N -1 3 476.295 4.332 40 0 JIABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399700 569826985 /nfs/dbraw/zinc/82/69/85/569826985.db2.gz AYXMCQOXHYXFEL-LBPRGKRZSA-N -1 3 462.268 4.024 40 0 JIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)c1 ZINC000222693212 569888719 /nfs/dbraw/zinc/88/87/19/569888719.db2.gz UHCIPUSNUXLVKJ-IBGZPJMESA-N -1 3 450.560 4.461 40 0 JIABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000222692874 569888730 /nfs/dbraw/zinc/88/87/30/569888730.db2.gz KCLQBDKIIPTOLN-UHFFFAOYSA-N -1 3 468.575 4.150 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000222703580 569889017 /nfs/dbraw/zinc/88/90/17/569889017.db2.gz QUPFCZLEFPNPDW-SFHVURJKSA-N -1 3 466.559 4.243 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1Cl ZINC000222733895 569889857 /nfs/dbraw/zinc/88/98/57/569889857.db2.gz WPPSTXUHVFTODS-UHFFFAOYSA-N -1 3 460.939 4.191 40 0 JIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000223001928 569896556 /nfs/dbraw/zinc/89/65/56/569896556.db2.gz MJIGTEUNYBWKJR-UHFFFAOYSA-N -1 3 493.006 4.291 40 0 JIABHM O=C([N-]c1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1ccc(Cl)cc1Cl ZINC000223692264 569920096 /nfs/dbraw/zinc/92/00/96/569920096.db2.gz PRBZTLXPZKLXCC-UHFFFAOYSA-N -1 3 469.375 4.239 40 0 JIABHM COc1ccc([C@@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000224025727 569931025 /nfs/dbraw/zinc/93/10/25/569931025.db2.gz FUYQWLKGTJOYAA-LJQANCHMSA-N -1 3 474.608 4.173 40 0 JIABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(C)c1 ZINC000224760143 569956425 /nfs/dbraw/zinc/95/64/25/569956425.db2.gz NAMWTJCXVIKZFS-ZDUSSCGKSA-N -1 3 450.973 4.100 40 0 JIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C)c(C)c1 ZINC000225032273 569970458 /nfs/dbraw/zinc/97/04/58/569970458.db2.gz TZRZJVUUQZFNOL-QGZVFWFLSA-N -1 3 465.000 4.490 40 0 JIABHM COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408611355 569972849 /nfs/dbraw/zinc/97/28/49/569972849.db2.gz WTZINIJVGGXOCO-FQEVSTJZSA-N -1 3 493.412 4.208 40 0 JIABHM CC1(C)C[C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2O1 ZINC000225342180 569991520 /nfs/dbraw/zinc/99/15/20/569991520.db2.gz QRUUFGAHXMEYNY-HNNXBMFYSA-N -1 3 478.983 4.025 40 0 JIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2C)cc1 ZINC000408674580 570009252 /nfs/dbraw/zinc/00/92/52/570009252.db2.gz BDPLUXBYCXZTBU-UHFFFAOYSA-N -1 3 470.547 4.221 40 0 JIABHM COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408674631 570009254 /nfs/dbraw/zinc/00/92/54/570009254.db2.gz DEXOEQHODUOJQO-UHFFFAOYSA-N -1 3 468.575 4.116 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(C)c2)cc1 ZINC000408674712 570009417 /nfs/dbraw/zinc/00/94/17/570009417.db2.gz GHJHAEXBZWHWEN-UHFFFAOYSA-N -1 3 458.511 4.351 40 0 JIABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)N=N2)cc1 ZINC000408717962 570025952 /nfs/dbraw/zinc/02/59/52/570025952.db2.gz UAZGZWBISIWOPH-UHFFFAOYSA-N -1 3 470.601 4.076 40 0 JIABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)c2ccccc12 ZINC000225928234 570028095 /nfs/dbraw/zinc/02/80/95/570028095.db2.gz IQNDQANSXQQMMH-UHFFFAOYSA-N -1 3 474.529 4.496 40 0 JIABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1Br ZINC000226243988 570037265 /nfs/dbraw/zinc/03/72/65/570037265.db2.gz AXTLITYLRUXWHZ-UHFFFAOYSA-N -1 3 474.174 4.361 40 0 JIABHM O=C1N/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000408965939 570087355 /nfs/dbraw/zinc/08/73/55/570087355.db2.gz XUFHITBOUDQFJV-AUWJEWJLSA-N -1 3 489.096 4.397 40 0 JIABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3Cc3ccc(OCC(=O)[O-])cc3)O[C@@H]21 ZINC000257268956 570129267 /nfs/dbraw/zinc/12/92/67/570129267.db2.gz MNYBPCVKCAGFLW-WHLIWEHUSA-N -1 3 453.535 4.050 40 0 JIABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1[O-] ZINC000409246142 570184161 /nfs/dbraw/zinc/18/41/61/570184161.db2.gz FPMAWFZYVBEXPT-LZYBPNLTSA-N -1 3 450.875 4.258 40 0 JIABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000409255589 570186844 /nfs/dbraw/zinc/18/68/44/570186844.db2.gz ZAFHQVLEHRVOBP-OVCLIPMQSA-N -1 3 453.303 4.383 40 0 JIABHM O=C(OC1=C([O-])N(c2cccc3ccccc32)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409278665 570190489 /nfs/dbraw/zinc/19/04/89/570190489.db2.gz DPOVMCYZAYFKLW-PSWAGMNNSA-N -1 3 465.461 4.164 40 0 JIABHM O=C(OC1=C([O-])N(c2cccc3ccccc32)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409278665 570190490 /nfs/dbraw/zinc/19/04/90/570190490.db2.gz DPOVMCYZAYFKLW-PSWAGMNNSA-N -1 3 465.461 4.164 40 0 JIABHM CSc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000408544252 570192401 /nfs/dbraw/zinc/19/24/01/570192401.db2.gz CAEWVGKYVRUODS-UHFFFAOYSA-N -1 3 451.371 4.393 40 0 JIABHM CSc1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000408544252 570192403 /nfs/dbraw/zinc/19/24/03/570192403.db2.gz CAEWVGKYVRUODS-UHFFFAOYSA-N -1 3 451.371 4.393 40 0 JIABHM O=C(OC1=C([O-])N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409296281 570195495 /nfs/dbraw/zinc/19/54/95/570195495.db2.gz SRAUMVUNJKYADB-BGYRXZFFSA-N -1 3 484.291 4.318 40 0 JIABHM O=C(OC1=C([O-])N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409296281 570195496 /nfs/dbraw/zinc/19/54/96/570195496.db2.gz SRAUMVUNJKYADB-BGYRXZFFSA-N -1 3 484.291 4.318 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1Cl ZINC000408555409 570196862 /nfs/dbraw/zinc/19/68/62/570196862.db2.gz XACHPVWVBGQAEQ-UHFFFAOYSA-N -1 3 466.987 4.367 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCCCCC1 ZINC000408561125 570200796 /nfs/dbraw/zinc/20/07/96/570200796.db2.gz QVWDPRSWSUTWOA-UHFFFAOYSA-N -1 3 456.486 4.288 40 0 JIABHM CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408584305 570207510 /nfs/dbraw/zinc/20/75/10/570207510.db2.gz NYJGMWFMPOSPNK-CYBMUJFWSA-N -1 3 473.378 4.256 40 0 JIABHM Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000001334875 194093453 /nfs/dbraw/zinc/09/34/53/194093453.db2.gz UDCWQLRLOYWITJ-INIZCTEOSA-N -1 3 497.386 4.198 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022539744 524252906 /nfs/dbraw/zinc/25/29/06/524252906.db2.gz IXVIEEIMOHDBLI-IIBYNOLFSA-N -1 3 490.984 4.255 40 0 JIABHM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2)n1 ZINC000022520414 524590685 /nfs/dbraw/zinc/59/06/85/524590685.db2.gz IFJUIEHXKVIRPS-UHFFFAOYSA-N -1 3 493.633 4.378 40 0 JIABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000020454339 525103233 /nfs/dbraw/zinc/10/32/33/525103233.db2.gz SMISTWRGCFNMRY-UHFFFAOYSA-N -1 3 476.551 4.375 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)cc1C ZINC000020482918 525300948 /nfs/dbraw/zinc/30/09/48/525300948.db2.gz OTSGJQFQRVUWDY-UHFFFAOYSA-N -1 3 477.586 4.479 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)cc1C ZINC000022517760 525301337 /nfs/dbraw/zinc/30/13/37/525301337.db2.gz ADMKMSIXHBKGAF-UHFFFAOYSA-N -1 3 479.602 4.189 40 0 JIABHM O=C(NCCSCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020458316 526373218 /nfs/dbraw/zinc/37/32/18/526373218.db2.gz AMWDCLKQKYFWBV-UHFFFAOYSA-N -1 3 450.969 4.397 40 0 JIABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccco2)C[C@@H]1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012481625 527629942 /nfs/dbraw/zinc/62/99/42/527629942.db2.gz XKONDZMDNLIGLF-OALUTQOASA-N -1 3 493.526 4.064 40 0 biogenic,in-vitro JIABHM 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CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc(Br)c1[O-] ZINC000013915645 555647262 /nfs/dbraw/zinc/64/72/62/555647262.db2.gz YSMIIHJNVQUNHY-SFHVURJKSA-N -1 3 460.328 4.128 40 0 JIABHM COC(=O)c1cc([O-])c2c(c1C(=O)OC)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000033715881 569631642 /nfs/dbraw/zinc/63/16/42/569631642.db2.gz PUSREACFDNWXQI-OLBRYRJMSA-N -1 3 454.563 4.303 40 0 JIABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(Cl)c1[O-] ZINC000033770726 569634213 /nfs/dbraw/zinc/63/42/13/569634213.db2.gz NVEMSRVESQUPKQ-APSNUPSMSA-N -1 3 468.865 4.398 40 0 JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000100885104 569774202 /nfs/dbraw/zinc/77/42/02/569774202.db2.gz QAFGMPZFOYDIMG-FHWLQOOXSA-N -1 3 486.933 4.449 40 0 JIABHM C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000038828449 569808259 /nfs/dbraw/zinc/80/82/59/569808259.db2.gz PVHPSYMIHZDPJM-FVJLSDCUSA-N -1 3 487.560 4.394 40 0 JIABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724630 569817639 /nfs/dbraw/zinc/81/76/39/569817639.db2.gz ZWXHENJJFBRMMR-RJGXRXQPSA-N -1 3 464.905 4.408 40 0 JIABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399351 569826596 /nfs/dbraw/zinc/82/65/96/569826596.db2.gz ZRLVEUNGPAIERO-QGZVFWFLSA-N -1 3 459.893 4.385 40 0 JIABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399698 569826852 /nfs/dbraw/zinc/82/68/52/569826852.db2.gz PMEWBOBCDCXMES-GFCCVEGCSA-N -1 3 462.268 4.024 40 0 JIABHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400264 569827318 /nfs/dbraw/zinc/82/73/18/569827318.db2.gz CJFJVGHCTJAYCB-LBPRGKRZSA-N -1 3 477.830 4.250 40 0 JIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)c1 ZINC000107710519 569857135 /nfs/dbraw/zinc/85/71/35/569857135.db2.gz JMPKHDBZDFVFII-UHFFFAOYSA-N -1 3 450.560 4.068 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000108976206 569860099 /nfs/dbraw/zinc/86/00/99/569860099.db2.gz XABJHOQZLINTQJ-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)SC[C@H](N)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118923073 569863664 /nfs/dbraw/zinc/86/36/64/569863664.db2.gz XFSLRTNEYJQNTE-QMQQAWMISA-N -1 3 480.671 4.184 40 0 JIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(OC)c(C)c1 ZINC000222575316 569886126 /nfs/dbraw/zinc/88/61/26/569886126.db2.gz OTVJARKBVRDYCX-MRXNPFEDSA-N -1 3 480.999 4.190 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1 ZINC000222706065 569889113 /nfs/dbraw/zinc/88/91/13/569889113.db2.gz JFTCOJXOEMBRMC-UHFFFAOYSA-N -1 3 458.511 4.067 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)cc2)cc1Cl ZINC000222732178 569889817 /nfs/dbraw/zinc/88/98/17/569889817.db2.gz WLRXWLIPTGOUMT-UHFFFAOYSA-N -1 3 474.966 4.153 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)c(C)c2)cc1 ZINC000222806255 569891567 /nfs/dbraw/zinc/89/15/67/569891567.db2.gz VLCJUKZEEKPRKA-UHFFFAOYSA-N -1 3 486.565 4.371 40 0 JIABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C)cc1C ZINC000223182672 569902449 /nfs/dbraw/zinc/90/24/49/569902449.db2.gz WMHTXGLSHWITNS-QGZVFWFLSA-N -1 3 465.000 4.490 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C)cc1C ZINC000223182719 569902480 /nfs/dbraw/zinc/90/24/80/569902480.db2.gz WMHTXGLSHWITNS-KRWDZBQOSA-N -1 3 465.000 4.490 40 0 JIABHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000223540556 569915256 /nfs/dbraw/zinc/91/52/56/569915256.db2.gz GXKIRSDXSAIBDS-FQEVSTJZSA-N -1 3 464.572 4.167 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C)cc1 ZINC000223646273 569918778 /nfs/dbraw/zinc/91/87/78/569918778.db2.gz HIXLIMCPXUCPPD-INIZCTEOSA-N -1 3 450.973 4.182 40 0 JIABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2)cc1 ZINC000223753609 569922205 /nfs/dbraw/zinc/92/22/05/569922205.db2.gz JPZHJPFORCXDNZ-NRFANRHFSA-N -1 3 478.599 4.475 40 0 JIABHM CC(C)Sc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000224428053 569944263 /nfs/dbraw/zinc/94/42/63/569944263.db2.gz AMGIMPIIGUJUGR-UHFFFAOYSA-N -1 3 461.034 4.119 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)ccc1[N-]S(C)(=O)=O ZINC000225415530 569995800 /nfs/dbraw/zinc/99/58/00/569995800.db2.gz JUUNWCAWWJIBQC-VQTJNVASSA-N -1 3 474.633 4.009 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)ccc1[N-]S(C)(=O)=O ZINC000225415722 569995817 /nfs/dbraw/zinc/99/58/17/569995817.db2.gz MOSYPPMCVWYUJH-RBUKOAKNSA-N -1 3 495.051 4.354 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1OC ZINC000408674627 570009265 /nfs/dbraw/zinc/00/92/65/570009265.db2.gz CZOUTLDUDPOWHY-UHFFFAOYSA-N -1 3 484.574 4.447 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408674782 570009576 /nfs/dbraw/zinc/00/95/76/570009576.db2.gz HQHMGNINPYLGBW-FQEVSTJZSA-N -1 3 482.602 4.321 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)c(C)c2)cc1C ZINC000408675337 570010178 /nfs/dbraw/zinc/01/01/78/570010178.db2.gz WDULGJYEFTUSIX-UHFFFAOYSA-N -1 3 482.558 4.201 40 0 JIABHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225832942 570023982 /nfs/dbraw/zinc/02/39/82/570023982.db2.gz MAHUXIYAAVXOHF-NSHDSACASA-N -1 3 471.391 4.445 40 0 JIABHM Cc1ccc(F)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1 ZINC000408545239 570192780 /nfs/dbraw/zinc/19/27/80/570192780.db2.gz WVYDGVKAVBGRAJ-UHFFFAOYSA-N -1 3 451.321 4.129 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1Cl ZINC000408558510 570199114 /nfs/dbraw/zinc/19/91/14/570199114.db2.gz JLFXOWNNEYSRML-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccccc1F ZINC000408559291 570199645 /nfs/dbraw/zinc/19/96/45/570199645.db2.gz LNCVQMZANNRQBX-UHFFFAOYSA-N -1 3 479.327 4.407 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1Cl ZINC000408562068 570201497 /nfs/dbraw/zinc/20/14/97/570201497.db2.gz XOHHWGDWSDUHIL-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000408581708 570206774 /nfs/dbraw/zinc/20/67/74/570206774.db2.gz AFCKHPJSKSUMHX-UHFFFAOYSA-N -1 3 467.547 4.080 40 0 JIABHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408581860 570206861 /nfs/dbraw/zinc/20/68/61/570206861.db2.gz AVXMQHLNVLZOQV-UHFFFAOYSA-N -1 3 488.949 4.253 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000408589483 570208797 /nfs/dbraw/zinc/20/87/97/570208797.db2.gz HYJCRERITZQFNG-UHFFFAOYSA-N -1 3 478.885 4.026 40 0 JIABHM COCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905398 194435969 /nfs/dbraw/zinc/43/59/69/194435969.db2.gz QEHSYIMVYLZIAC-UHFFFAOYSA-N -1 3 494.573 4.198 40 0 JIABHM COC(=O)c1cc([O-])c2c(c1C(=O)OC)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000008615805 521895874 /nfs/dbraw/zinc/89/58/74/521895874.db2.gz PUSREACFDNWXQI-XGQXAMGISA-N -1 3 454.563 4.303 40 0 JIABHM COCc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448591 523212637 /nfs/dbraw/zinc/21/26/37/523212637.db2.gz VOPLBRCLZOZWSO-UHFFFAOYSA-N -1 3 480.612 4.419 40 0 JIABHM C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccccc1 ZINC000020483331 525238199 /nfs/dbraw/zinc/23/81/99/525238199.db2.gz OHJZXJYWMVRKRK-HNNXBMFYSA-N -1 3 471.966 4.455 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537190 525301112 /nfs/dbraw/zinc/30/11/12/525301112.db2.gz PWINZJLTKWCDLW-SFHVURJKSA-N -1 3 456.539 4.500 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1 ZINC000016293302 525302457 /nfs/dbraw/zinc/30/24/57/525302457.db2.gz GCOWGMUUYXCUDX-UHFFFAOYSA-N -1 3 493.629 4.140 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537186 525303063 /nfs/dbraw/zinc/30/30/63/525303063.db2.gz PWINZJLTKWCDLW-GOSISDBHSA-N -1 3 456.539 4.500 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022537359 525421049 /nfs/dbraw/zinc/42/10/49/525421049.db2.gz SXMOXJCGRQCERG-MRXNPFEDSA-N -1 3 460.502 4.330 40 0 JIABHM Cc1nccn1-c1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020488955 527385212 /nfs/dbraw/zinc/38/52/12/527385212.db2.gz KEZJUMYSZYSOQD-UHFFFAOYSA-N -1 3 460.559 4.220 40 0 JIABHM COCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905468 554561248 /nfs/dbraw/zinc/56/12/48/554561248.db2.gz HUORVHHHRRZJTH-UHFFFAOYSA-N -1 3 452.511 4.320 40 0 JIABHM CCSc1nnc2c(n1)O[C@]1([N-]c3ccc(Br)cc3-2)C(=O)Nc2ccc(F)cc21 ZINC000009556730 555351607 /nfs/dbraw/zinc/35/16/07/555351607.db2.gz BBZZYFNOFQOUNR-IBGZPJMESA-N -1 3 474.315 4.162 40 0 JIABHM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000009694975 555425162 /nfs/dbraw/zinc/42/51/62/555425162.db2.gz VCGRQYPKWICKIY-UHFFFAOYSA-N -1 3 466.968 4.091 40 0 JIABHM CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009740 555585504 /nfs/dbraw/zinc/58/55/04/555585504.db2.gz QTPDIDBLKQCDEG-HXUWFJFHSA-N -1 3 488.993 4.276 40 0 JIABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1OC ZINC000020020136 555596659 /nfs/dbraw/zinc/59/66/59/555596659.db2.gz GIYVZXKBYYLWIQ-IBGZPJMESA-N -1 3 498.601 4.378 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020020693 555597920 /nfs/dbraw/zinc/59/79/20/555597920.db2.gz JOFJASXYADLLJP-QHCPKHFHSA-N -1 3 454.523 4.199 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000013787524 555619807 /nfs/dbraw/zinc/61/98/07/555619807.db2.gz MUUZFFUDOQWBMA-FIXSFTCYSA-N -1 3 494.931 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CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)Cc4cccs4)CC2)[n-]c3=O)cc1 ZINC000006529741 554548927 /nfs/dbraw/zinc/54/89/27/554548927.db2.gz KCEILGTWUOGPMP-UHFFFAOYSA-N -1 3 490.633 4.283 40 0 JIABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019937723 555554316 /nfs/dbraw/zinc/55/43/16/555554316.db2.gz GKWJPLFUYBYPNV-UHFFFAOYSA-N -1 3 476.886 4.000 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 ZINC000020009511 555584884 /nfs/dbraw/zinc/58/48/84/555584884.db2.gz PYVHDIKFSRCONA-FQEVSTJZSA-N -1 3 458.967 4.185 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NC1CCCCCCC1 ZINC000020009955 555585886 /nfs/dbraw/zinc/58/58/86/555585886.db2.gz XZYYSJOSVUUZBM-OAQYLSRUSA-N -1 3 479.042 4.467 40 0 JIABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020020425 555597287 /nfs/dbraw/zinc/59/72/87/555597287.db2.gz WCYACBJAKDORKJ-MRXNPFEDSA-N -1 3 474.966 4.406 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020022328 555599694 /nfs/dbraw/zinc/59/96/94/555599694.db2.gz ILVRYTOMENIUPW-HSZRJFAPSA-N -1 3 450.560 4.368 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000020022406 555600021 /nfs/dbraw/zinc/60/00/21/555600021.db2.gz JCCKOPCTYNIXMZ-UHFFFAOYSA-N -1 3 462.930 4.284 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(C)c2)cc1 ZINC000020022543 555600272 /nfs/dbraw/zinc/60/02/72/555600272.db2.gz LITZAFGSDDLDSZ-UHFFFAOYSA-N -1 3 476.501 4.490 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000020022506 555600365 /nfs/dbraw/zinc/60/03/65/555600365.db2.gz YPNGNSDYYJCJNB-LJQANCHMSA-N -1 3 498.601 4.459 40 0 JIABHM CC1CCN(C(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246376 555896484 /nfs/dbraw/zinc/89/64/84/555896484.db2.gz SMLSYWVSRAGKNV-IBGZPJMESA-N -1 3 455.407 4.142 40 0 JIABHM 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469.162 4.123 40 0 JIABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C4CCCCC4)CC2)[n-]c3=O)cc1 ZINC000001324737 194085742 /nfs/dbraw/zinc/08/57/42/194085742.db2.gz FJXPUYLIOJCYAC-UHFFFAOYSA-N -1 3 476.625 4.147 40 0 JIABHM Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000001334873 194093543 /nfs/dbraw/zinc/09/35/43/194093543.db2.gz UDCWQLRLOYWITJ-MRXNPFEDSA-N -1 3 497.386 4.198 40 0 JIABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C2)[n-]c3=O)cc1 ZINC000001334236 194093104 /nfs/dbraw/zinc/09/31/04/194093104.db2.gz YOGAPMCZDRQLFR-NRFANRHFSA-N -1 3 484.604 4.189 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000009886168 195014847 /nfs/dbraw/zinc/01/48/47/195014847.db2.gz IJTYZBYKILFAKX-LNKIKWGQSA-N -1 3 466.515 4.267 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000022536965 521132610 /nfs/dbraw/zinc/13/26/10/521132610.db2.gz XNGFQMYTWSLWDO-QGZVFWFLSA-N -1 3 472.538 4.281 40 0 JIABHM 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CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(OC)c1OC ZINC000034798918 569661077 /nfs/dbraw/zinc/66/10/77/569661077.db2.gz VANPQKMLYDGWDM-OYRHQHFDSA-N -1 3 474.513 4.154 40 0 JIABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633377 569705702 /nfs/dbraw/zinc/70/57/02/569705702.db2.gz BIRDAOLMKXRIRL-XQBPLPMBSA-N -1 3 462.399 4.498 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000096178815 569737073 /nfs/dbraw/zinc/73/70/73/569737073.db2.gz HNJRRLPWIAKGJM-NJYVYQBISA-N -1 3 466.877 4.161 40 0 JIABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(OC)cc2OC)c1 ZINC000100626321 569765798 /nfs/dbraw/zinc/76/57/98/569765798.db2.gz SAUBBCXGPBQBGT-HJOGWXRNSA-N -1 3 494.931 4.417 40 0 JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100766252 569769347 /nfs/dbraw/zinc/76/93/47/569769347.db2.gz JUJAPQYUNVFBIH-ACRUOGEOSA-N -1 3 462.527 4.203 40 0 JIABHM 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JFRWORCRTASGKQ-UHFFFAOYSA-N -1 3 484.173 4.433 40 0 JIABHM COC(=O)c1cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1Cl ZINC000038181043 569800224 /nfs/dbraw/zinc/80/02/24/569800224.db2.gz CZBZUHJIKJOQNO-UHFFFAOYSA-N -1 3 497.758 4.111 40 0 JIABHM COC(=O)c1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)ccc1Cl ZINC000038181043 569800225 /nfs/dbraw/zinc/80/02/25/569800225.db2.gz CZBZUHJIKJOQNO-UHFFFAOYSA-N -1 3 497.758 4.111 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000039772523 569811942 /nfs/dbraw/zinc/81/19/42/569811942.db2.gz VLWQQUUIGZVQHZ-UHFFFAOYSA-N -1 3 497.592 4.486 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102730640 569818061 /nfs/dbraw/zinc/81/80/61/569818061.db2.gz JMFMTIDPAFEIIF-FDFHNCONSA-N -1 3 495.329 4.214 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102761115 569822092 /nfs/dbraw/zinc/82/20/92/569822092.db2.gz DKVYRRTUBAJEII-BHIFYINESA-N -1 3 450.878 4.105 40 0 JIABHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccccc1Cl ZINC000040397345 569825846 /nfs/dbraw/zinc/82/58/46/569825846.db2.gz QUWHCKCDAPVEJY-UHFFFAOYSA-N -1 3 450.285 4.402 40 0 JIABHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400257 569827429 /nfs/dbraw/zinc/82/74/29/569827429.db2.gz HAEZEUIKOACCFX-CQSZACIVSA-N -1 3 477.830 4.250 40 0 JIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000107813810 569857539 /nfs/dbraw/zinc/85/75/39/569857539.db2.gz BEUDWGJYYOVFOL-UHFFFAOYSA-N -1 3 452.532 4.324 40 0 JIABHM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc([O-])c(I)c3)N21 ZINC000222666909 569888062 /nfs/dbraw/zinc/88/80/62/569888062.db2.gz NJDIKYDMZPFVHQ-JCURWCKSSA-N -1 3 451.333 4.371 40 0 JIABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000222695218 569888773 /nfs/dbraw/zinc/88/87/73/569888773.db2.gz ONGHHICHFFLVGE-UHFFFAOYSA-N -1 3 496.585 4.227 40 0 JIABHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000222700358 569888948 /nfs/dbraw/zinc/88/89/48/569888948.db2.gz LSYWSYMSIXISBO-INIZCTEOSA-N -1 3 456.951 4.497 40 0 JIABHM CCCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 ZINC000223144453 569901004 /nfs/dbraw/zinc/90/10/04/569901004.db2.gz DOTYNHPYNUDTLA-UHFFFAOYSA-N -1 3 461.034 4.121 40 0 JIABHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)s2)cc1 ZINC000223161325 569901566 /nfs/dbraw/zinc/90/15/66/569901566.db2.gz PXBZJBCKTXYMQT-UHFFFAOYSA-N -1 3 462.984 4.204 40 0 JIABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Br)c3)n2)cc1 ZINC000223636607 569918615 /nfs/dbraw/zinc/91/86/15/569918615.db2.gz FCYGFJVPGFCUKF-UHFFFAOYSA-N -1 3 464.385 4.416 40 0 JIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3cccc(Br)c3)n2)cc1 ZINC000223636523 569918643 /nfs/dbraw/zinc/91/86/43/569918643.db2.gz IBJCLXQRDRTJOI-UHFFFAOYSA-N -1 3 450.358 4.242 40 0 JIABHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2O1 ZINC000224431101 569944351 /nfs/dbraw/zinc/94/43/51/569944351.db2.gz IAEJHCSHVUGMNU-OAHLLOKOSA-N -1 3 478.983 4.025 40 0 JIABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000224804311 569958330 /nfs/dbraw/zinc/95/83/30/569958330.db2.gz CABRUNHBXBGVKN-LLVKDONJSA-N -1 3 471.391 4.445 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1Cl ZINC000408604153 569970267 /nfs/dbraw/zinc/97/02/67/569970267.db2.gz LDSYIPCZWPMWCE-UHFFFAOYSA-N -1 3 488.949 4.238 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C)c(C)c1 ZINC000225032309 569970436 /nfs/dbraw/zinc/97/04/36/569970436.db2.gz TZRZJVUUQZFNOL-KRWDZBQOSA-N -1 3 465.000 4.490 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(Cl)c2)cc1 ZINC000408635541 569985770 /nfs/dbraw/zinc/98/57/70/569985770.db2.gz DHZVHZKXWIVEJQ-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408636031 569986330 /nfs/dbraw/zinc/98/63/30/569986330.db2.gz KREOWCMRLKIGHS-UHFFFAOYSA-N -1 3 495.384 4.498 40 0 JIABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000225417706 569995785 /nfs/dbraw/zinc/99/57/85/569995785.db2.gz VGSZMTVOJLMMSM-YADHBBJMSA-N -1 3 485.635 4.021 40 0 JIABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)ccc1[N-]S(C)(=O)=O ZINC000225417791 569995805 /nfs/dbraw/zinc/99/58/05/569995805.db2.gz VGSZMTVOJLMMSM-FGZHOGPDSA-N -1 3 485.635 4.021 40 0 JIABHM COc1ccc(C(=O)CC(=C([O-])c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408676172 570010538 /nfs/dbraw/zinc/01/05/38/570010538.db2.gz AILUNOYPVQPHDO-XMMPIXPASA-N -1 3 452.528 4.310 40 0 JIABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000408678312 570011220 /nfs/dbraw/zinc/01/12/20/570011220.db2.gz FJSVWECGZVVPPY-OAQYLSRUSA-N -1 3 470.547 4.301 40 0 JIABHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C2CCCCC2)cc1 ZINC000226061345 570035094 /nfs/dbraw/zinc/03/50/94/570035094.db2.gz ZYXDXCAMOMDXGP-UHFFFAOYSA-N -1 3 494.617 4.016 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000257209603 570110834 /nfs/dbraw/zinc/11/08/34/570110834.db2.gz BRAZTLBLWCOYLG-DEOSSOPVSA-N -1 3 482.596 4.371 40 0 JIABHM COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4ccc(-c5nnn[n-]5)cc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257247940 570122646 /nfs/dbraw/zinc/12/26/46/570122646.db2.gz JBFTXGOAOXCQRD-JTHBVZDNSA-N -1 3 489.576 4.047 40 0 JIABHM COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4ccc(-c5nn[n-]n5)cc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257247940 570122647 /nfs/dbraw/zinc/12/26/47/570122647.db2.gz JBFTXGOAOXCQRD-JTHBVZDNSA-N -1 3 489.576 4.047 40 0 JIABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 ZINC000257282050 570133320 /nfs/dbraw/zinc/13/33/20/570133320.db2.gz OSDAGJVBRFOHEK-CJFMBICVSA-N -1 3 465.937 4.345 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257284381 570133983 /nfs/dbraw/zinc/13/39/83/570133983.db2.gz PCLKXNXYOYFNLY-XMMPIXPASA-N -1 3 464.606 4.232 40 0 JIABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257295797 570137185 /nfs/dbraw/zinc/13/71/85/570137185.db2.gz QZXIVGIOVHUIQL-FSNSLZAISA-N -1 3 453.535 4.137 40 0 JIABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(OC)cc1Cl ZINC000016194781 522665259 /nfs/dbraw/zinc/66/52/59/522665259.db2.gz XRHHOCDKKIPACC-UHFFFAOYSA-N -1 3 476.938 4.176 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000020009430 524252997 /nfs/dbraw/zinc/25/29/97/524252997.db2.gz VUNIOZKHELJONO-HXUWFJFHSA-N -1 3 493.412 4.208 40 0 JIABHM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000044880439 525861820 /nfs/dbraw/zinc/86/18/20/525861820.db2.gz LQVVNKDHTUFIAG-UHFFFAOYSA-N -1 3 496.976 4.191 40 0 JIABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(O)cc1 ZINC000006148302 554511401 /nfs/dbraw/zinc/51/14/01/554511401.db2.gz DJCFEGKCLWXEAB-VSKRKVRLSA-N -1 3 450.878 4.105 40 0 JIABHM COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905350 554561239 /nfs/dbraw/zinc/56/12/39/554561239.db2.gz JRZXOORJWHMDQP-UHFFFAOYSA-N -1 3 460.559 4.132 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)NC1CCCCCC1 ZINC000020009373 555584528 /nfs/dbraw/zinc/58/45/28/555584528.db2.gz YNMJCGQKRDGGHD-HXUWFJFHSA-N -1 3 465.015 4.077 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020009832 555585618 /nfs/dbraw/zinc/58/56/18/555585618.db2.gz OLKPZOTVZWONGD-OAQYLSRUSA-N -1 3 486.977 4.080 40 0 JIABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000020020284 555596962 /nfs/dbraw/zinc/59/69/62/555596962.db2.gz IJGGZPONOKBOPR-LJQANCHMSA-N -1 3 468.575 4.369 40 0 JIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000020020243 555596972 /nfs/dbraw/zinc/59/69/72/555596972.db2.gz LIESUGWAYNGTQS-UHFFFAOYSA-N -1 3 450.438 4.231 40 0 JIABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000020020429 555597284 /nfs/dbraw/zinc/59/72/84/555597284.db2.gz WCYACBJAKDORKJ-INIZCTEOSA-N -1 3 474.966 4.406 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)cc3)c(C)c2)cc1 ZINC000020022503 555600308 /nfs/dbraw/zinc/60/03/08/555600308.db2.gz YPNGNSDYYJCJNB-IBGZPJMESA-N -1 3 498.601 4.459 40 0 JIABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c(Cl)c1 ZINC000020048421 555618248 /nfs/dbraw/zinc/61/82/48/555618248.db2.gz XTZCGFYPSIPKHK-UHFFFAOYSA-N -1 3 494.997 4.342 40 0 JIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000013811494 555628137 /nfs/dbraw/zinc/62/81/37/555628137.db2.gz FKTACQKFCWTYRG-GSDHBNRESA-N -1 3 488.540 4.326 40 0 JIABHM Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000010331282 555687646 /nfs/dbraw/zinc/68/76/46/555687646.db2.gz SWVPJIAVJPNRCJ-QGZVFWFLSA-N -1 3 451.548 4.110 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(OC)cc3)cc2)cc1 ZINC000011609227 555789557 /nfs/dbraw/zinc/78/95/57/555789557.db2.gz JPOQZKBKVYYAFC-KRWDZBQOSA-N -1 3 470.547 4.301 40 0 JIABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014399557 555805200 /nfs/dbraw/zinc/80/52/00/555805200.db2.gz YFNSFFFCRAUETL-QHCPKHFHSA-N -1 3 470.547 4.301 40 0 JIABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 ZINC000022246431 555896333 /nfs/dbraw/zinc/89/63/33/555896333.db2.gz JTPISRNOZZRFPR-JOCHJYFZSA-N -1 3 489.424 4.468 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 ZINC000015438953 555908855 /nfs/dbraw/zinc/90/88/55/555908855.db2.gz PTRAVDQSDQZGIH-UHFFFAOYSA-N -1 3 456.520 4.156 40 0 JIABHM COc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030851634 556377478 /nfs/dbraw/zinc/37/74/78/556377478.db2.gz OSGNKDOSMVMYNX-INIZCTEOSA-N -1 3 474.966 4.347 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2Cl)cc1 ZINC000030856207 556380209 /nfs/dbraw/zinc/38/02/09/556380209.db2.gz FEUGSOYGRFAHJC-UHFFFAOYSA-N -1 3 458.923 4.473 40 0 JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000100885106 569774233 /nfs/dbraw/zinc/77/42/33/569774233.db2.gz QAFGMPZFOYDIMG-QRVBRYPASA-N -1 3 486.933 4.449 40 0 JIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101245022 569788037 /nfs/dbraw/zinc/78/80/37/569788037.db2.gz UFYYXMOISBUMNI-ZEVJAHDQSA-N -1 3 488.540 4.326 40 0 JIABHM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000040389049 569824954 /nfs/dbraw/zinc/82/49/54/569824954.db2.gz QPGRGYJGQALLCH-JXFKEZNVSA-N -1 3 473.533 4.006 40 0 JIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000108058878 569858478 /nfs/dbraw/zinc/85/84/78/569858478.db2.gz BHYJERDYXMEHDH-UHFFFAOYSA-N -1 3 452.532 4.324 40 0 JIABHM 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Cc1ccc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000223144357 569901029 /nfs/dbraw/zinc/90/10/29/569901029.db2.gz DNSQCONTLCEIQY-ZDUSSCGKSA-N -1 3 450.973 4.100 40 0 JIABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)c(C)c1 ZINC000223607351 569917773 /nfs/dbraw/zinc/91/77/73/569917773.db2.gz UFJXWPLZNKILKV-GOSISDBHSA-N -1 3 458.609 4.207 40 0 JIABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2)cc1 ZINC000223753660 569922210 /nfs/dbraw/zinc/92/22/10/569922210.db2.gz JPZHJPFORCXDNZ-OAQYLSRUSA-N -1 3 478.599 4.475 40 0 JIABHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)s2)cc1 ZINC000223762444 569922476 /nfs/dbraw/zinc/92/24/76/569922476.db2.gz PIFPPXXJMCKTRX-UHFFFAOYSA-N -1 3 493.010 4.294 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224036958 569931428 /nfs/dbraw/zinc/93/14/28/569931428.db2.gz QDBFNYFOVRGYCA-UHFFFAOYSA-N -1 3 479.602 4.498 40 0 JIABHM 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ZINC000408609563 569972219 /nfs/dbraw/zinc/97/22/19/569972219.db2.gz TZWIEWBUNZUWLP-UHFFFAOYSA-N -1 3 474.966 4.153 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408622393 569978758 /nfs/dbraw/zinc/97/87/58/569978758.db2.gz NNSSHPFRXZRGAQ-VIFPVBQESA-N -1 3 471.284 4.326 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000225415271 569995682 /nfs/dbraw/zinc/99/56/82/569995682.db2.gz ZDHIKPHFFZTHOX-RBUKOAKNSA-N -1 3 474.633 4.009 40 0 JIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c1 ZINC000408676459 570010663 /nfs/dbraw/zinc/01/06/63/570010663.db2.gz OFAJPXDDUFPRBR-UHFFFAOYSA-N -1 3 456.495 4.155 40 0 JIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408680042 570011960 /nfs/dbraw/zinc/01/19/60/570011960.db2.gz YAIZPUYXGCQYDZ-UHFFFAOYSA-N -1 3 458.511 4.351 40 0 JIABHM COc1cccc(C(=O)CC(=C([O-])c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408680774 570012323 /nfs/dbraw/zinc/01/23/23/570012323.db2.gz GNIPHYNSCFNJED-XMMPIXPASA-N -1 3 452.528 4.310 40 0 JIABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)N=N2)cc1 ZINC000408717958 570025929 /nfs/dbraw/zinc/02/59/29/570025929.db2.gz RESNYLQCZPEWTD-UHFFFAOYSA-N -1 3 478.599 4.323 40 0 JIABHM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c([O-])c(OC)c3)S2)cc1 ZINC000408787856 570043587 /nfs/dbraw/zinc/04/35/87/570043587.db2.gz AHQUXQGSJHPZLQ-NXIIHZOPSA-N -1 3 482.343 4.167 40 0 JIABHM CCOc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(I)c1[O-] ZINC000408811620 570049311 /nfs/dbraw/zinc/04/93/11/570049311.db2.gz NZUGWTIMSGRIGN-UHFFFAOYSA-N -1 3 485.298 4.298 40 0 JIABHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-][C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)s1 ZINC000257214162 570112341 /nfs/dbraw/zinc/11/23/41/570112341.db2.gz CKVMQWDRTNMECD-QZUICMFXSA-N -1 3 489.663 4.271 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CCN(Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257247750 570122447 /nfs/dbraw/zinc/12/24/47/570122447.db2.gz JAHSDAIFNBFMAW-DEOSSOPVSA-N -1 3 482.596 4.371 40 0 JIABHM Cc1cc(CN2CC[C@@H]3O[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C[C@H]3C2)cc(C(=O)[O-])c1O ZINC000257274018 570130742 /nfs/dbraw/zinc/13/07/42/570130742.db2.gz NJFBJDHXLDWAHG-RAQQXGOJSA-N -1 3 453.535 4.244 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1ccccc1OCC(=O)[O-])CC2 ZINC000257284380 570133929 /nfs/dbraw/zinc/13/39/29/570133929.db2.gz PCLKXNXYOYFNLY-DEOSSOPVSA-N -1 3 464.606 4.232 40 0 JIABHM Cc1cc(CN2CCC3(C[C@H](Cc4ccccc4)N(CC(C)C)C3=O)CC2)cc(C(=O)[O-])c1O ZINC000257329437 570147385 /nfs/dbraw/zinc/14/73/85/570147385.db2.gz XJZMRALTSPVCKP-QHCPKHFHSA-N -1 3 464.606 4.481 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2C)cc1 ZINC000408547815 570193976 /nfs/dbraw/zinc/19/39/76/570193976.db2.gz NHSUFUOWKQXVKZ-UHFFFAOYSA-N -1 3 463.603 4.062 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl ZINC000408551924 570195365 /nfs/dbraw/zinc/19/53/65/570195365.db2.gz JTETUKJGUXMWCH-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000408582053 570206907 /nfs/dbraw/zinc/20/69/07/570206907.db2.gz BGGVSKZVCPGOLQ-HXUWFJFHSA-N -1 3 482.602 4.402 40 0 JIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408593262 570209705 /nfs/dbraw/zinc/20/97/05/570209705.db2.gz PVGUJUDILAOUNA-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CCc4ccccc4)CC2)[n-]c3=O)cc1 ZINC000001324720 194085685 /nfs/dbraw/zinc/08/56/85/194085685.db2.gz JGIKDEKIJIVLNF-UHFFFAOYSA-N -1 3 498.631 4.199 40 0 JIABHM Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)C2)c1 ZINC000001334419 194093069 /nfs/dbraw/zinc/09/30/69/194093069.db2.gz WAQRFWRDLOWDPJ-NRFANRHFSA-N -1 3 484.604 4.189 40 0 JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004163380 194382027 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477.026 4.245 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(C)c1 ZINC000020009558 555585295 /nfs/dbraw/zinc/58/52/95/555585295.db2.gz GLEVPUWFONPHOS-OAQYLSRUSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020019832 555595935 /nfs/dbraw/zinc/59/59/35/555595935.db2.gz QUTSGYKLCFNMAT-GOSISDBHSA-N -1 3 454.548 4.061 40 0 JIABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020019987 555596314 /nfs/dbraw/zinc/59/63/14/555596314.db2.gz IFBBNFROASCOOX-LJQANCHMSA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000020020269 555596983 /nfs/dbraw/zinc/59/69/83/555596983.db2.gz GBQXKDFZNOTTAT-LJQANCHMSA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000020021581 555598831 /nfs/dbraw/zinc/59/88/31/555598831.db2.gz LJOJHMYAVFKSTG-LJQANCHMSA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000020022321 555599570 /nfs/dbraw/zinc/59/95/70/555599570.db2.gz HBZYJDHBAZQTEL-GOSISDBHSA-N -1 3 454.548 4.061 40 0 JIABHM O=C(NCc1ccccc1CN1CCCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010055170 555607935 /nfs/dbraw/zinc/60/79/35/555607935.db2.gz GCPHDXNODQHZSS-UHFFFAOYSA-N -1 3 469.632 4.465 40 0 JIABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014397261 555802967 /nfs/dbraw/zinc/80/29/67/555802967.db2.gz GXXRQBJLGZIPOT-QFIPXVFZSA-N -1 3 458.511 4.431 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000012017372 555884960 /nfs/dbraw/zinc/88/49/60/555884960.db2.gz CADHDHHYHAECGR-VJBWXMMDSA-N -1 3 464.905 4.408 40 0 JIABHM O=C(c1cccs1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083641 556280274 /nfs/dbraw/zinc/28/02/74/556280274.db2.gz KISPLPIVSTWMGN-GFCCVEGCSA-N -1 3 489.388 4.363 40 0 JIABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000033768259 569634012 /nfs/dbraw/zinc/63/40/12/569634012.db2.gz HTWSYDAREXBCCS-UHFFFAOYSA-N -1 3 482.558 4.298 40 0 JIABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl ZINC000033797522 569635537 /nfs/dbraw/zinc/63/55/37/569635537.db2.gz WCLHOPRRGXSPGW-SECBINFHSA-N -1 3 456.178 4.283 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100556214 569764423 /nfs/dbraw/zinc/76/44/23/569764423.db2.gz MKVKUCLVLAUIQG-FSSWDIPSSA-N -1 3 480.879 4.317 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100808469 569770417 /nfs/dbraw/zinc/77/04/17/569770417.db2.gz OGAOLOLMINWSED-ZLNRFVROSA-N -1 3 460.461 4.054 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102731596 569818152 /nfs/dbraw/zinc/81/81/52/569818152.db2.gz HGXSYGKIRWSKDW-XPWALMASSA-N -1 3 464.905 4.414 40 0 JIABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102733971 569818414 /nfs/dbraw/zinc/81/84/14/569818414.db2.gz QITWALHMIOPLRD-HKBOAZHASA-N -1 3 465.303 4.206 40 0 JIABHM COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102767549 569823225 /nfs/dbraw/zinc/82/32/25/569823225.db2.gz SNVNZNRCDXENJU-TZRRMPRUSA-N -1 3 494.931 4.417 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102861316 569824996 /nfs/dbraw/zinc/82/49/96/569824996.db2.gz QBDDFGGAIVCOHJ-XPWALMASSA-N -1 3 464.905 4.408 40 0 JIABHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)c1 ZINC000040400204 569827280 /nfs/dbraw/zinc/82/72/80/569827280.db2.gz DSGSYUQTVPWRFK-INIZCTEOSA-N -1 3 471.439 4.214 40 0 JIABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1C ZINC000040400198 569827313 /nfs/dbraw/zinc/82/73/13/569827313.db2.gz RYCHQWZMYKLADT-MRXNPFEDSA-N -1 3 471.439 4.214 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1 ZINC000107694565 569857058 /nfs/dbraw/zinc/85/70/58/569857058.db2.gz NJSAXBPHUVMCIV-UHFFFAOYSA-N -1 3 458.580 4.272 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(OC)c(C)c1 ZINC000222575375 569886111 /nfs/dbraw/zinc/88/61/11/569886111.db2.gz OTVJARKBVRDYCX-INIZCTEOSA-N -1 3 480.999 4.190 40 0 JIABHM CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000222688332 569888608 /nfs/dbraw/zinc/88/86/08/569888608.db2.gz KECHIXSHBKICKX-UHFFFAOYSA-N -1 3 496.585 4.227 40 0 JIABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000222695938 569888779 /nfs/dbraw/zinc/88/87/79/569888779.db2.gz YRZHOVQWFDKNDE-UHFFFAOYSA-N -1 3 454.548 4.155 40 0 JIABHM CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000222700042 569888959 /nfs/dbraw/zinc/88/89/59/569888959.db2.gz FBAXXLOLFYQUOG-UHFFFAOYSA-N -1 3 462.930 4.317 40 0 JIABHM 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CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Br)c([O-])c(OC)c1 ZINC000261364309 570168404 /nfs/dbraw/zinc/16/84/04/570168404.db2.gz KOXYVDTVQVHHOJ-GOSISDBHSA-O -1 3 476.376 4.088 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)c(Cl)c2)cc1 ZINC000408590394 570208985 /nfs/dbraw/zinc/20/89/85/570208985.db2.gz HAEKFKKTQHEIQU-UHFFFAOYSA-N -1 3 488.949 4.238 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408591137 570209192 /nfs/dbraw/zinc/20/91/92/570209192.db2.gz JAXXQXITUUIPRF-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CC(C)(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000001324982 194086131 /nfs/dbraw/zinc/08/61/31/194086131.db2.gz RTTPHICVKRIBCI-UHFFFAOYSA-N -1 3 477.396 4.012 40 0 JIABHM Cc1ccc(C)c(NC(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[n-]3)C2)c1 ZINC000001334804 194093383 /nfs/dbraw/zinc/09/33/83/194093383.db2.gz QFMSDABZUORXCK-SFHVURJKSA-N -1 3 491.983 4.245 40 0 JIABHM Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000001334414 194093043 /nfs/dbraw/zinc/09/30/43/194093043.db2.gz YQRKVKTVCMBIER-FQEVSTJZSA-N -1 3 484.604 4.189 40 0 JIABHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)C2)cc1 ZINC000001334470 194093057 /nfs/dbraw/zinc/09/30/57/194093057.db2.gz RIINUGDAVOZOLJ-NRFANRHFSA-N -1 3 484.604 4.189 40 0 JIABHM O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000001361282 194102235 /nfs/dbraw/zinc/10/22/35/194102235.db2.gz ZVPNTXHHGHHFAS-UHFFFAOYSA-N -1 3 492.458 4.005 40 0 JIABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000004325733 520386280 /nfs/dbraw/zinc/38/62/80/520386280.db2.gz NQPPPVRLHXBNOG-SDHOMARFSA-N -1 3 474.513 4.241 40 0 JIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl ZINC000038771312 525217461 /nfs/dbraw/zinc/21/74/61/525217461.db2.gz QVHJZQWLGCBFLO-UHFFFAOYSA-N -1 3 462.930 4.360 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)cc1 ZINC000020456147 525596644 /nfs/dbraw/zinc/59/66/44/525596644.db2.gz HBJLQCGMLHGLHW-UHFFFAOYSA-N -1 3 469.994 4.412 40 0 JIABHM O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000013150673 555356300 /nfs/dbraw/zinc/35/63/00/555356300.db2.gz XNFOPTHKHSFXPC-OAHLLOKOSA-N -1 3 481.919 4.179 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000020010062 555585979 /nfs/dbraw/zinc/58/59/79/555585979.db2.gz UENKTCJAEZIYAC-IBGZPJMESA-N -1 3 480.920 4.155 40 0 JIABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020019937 555596339 /nfs/dbraw/zinc/59/63/39/555596339.db2.gz WCZNNNLYGQBDPF-KRWDZBQOSA-N -1 3 456.589 4.466 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1 ZINC000020020511 555597275 /nfs/dbraw/zinc/59/72/75/555597275.db2.gz PWYXSXPSJWFCST-UHFFFAOYSA-N -1 3 480.464 4.321 40 0 JIABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000020021596 555598758 /nfs/dbraw/zinc/59/87/58/555598758.db2.gz LNXVYLVNYVZNCH-IBGZPJMESA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000020048612 555618344 /nfs/dbraw/zinc/61/83/44/555618344.db2.gz MXFNZPORUQHTJT-UHFFFAOYSA-N -1 3 474.966 4.131 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)cc1C ZINC000010331195 555687692 /nfs/dbraw/zinc/68/76/92/555687692.db2.gz SVXUVDJEMNGIJR-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)cc1C ZINC000010364465 555697642 /nfs/dbraw/zinc/69/76/42/555697642.db2.gz CKHCDHPFJIWENH-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)c(C)c1 ZINC000010370767 555699422 /nfs/dbraw/zinc/69/94/22/555699422.db2.gz UPSPTRBPJUUEKT-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014399556 555805272 /nfs/dbraw/zinc/80/52/72/555805272.db2.gz YFNSFFFCRAUETL-HSZRJFAPSA-N -1 3 470.547 4.301 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1C ZINC000015529262 555913360 /nfs/dbraw/zinc/91/33/60/555913360.db2.gz ZTFSUGJOTZQVNQ-LFYBBSHMSA-N -1 3 450.516 4.485 40 0 JIABHM CCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000013083456 556279904 /nfs/dbraw/zinc/27/99/04/556279904.db2.gz XMCYRYWXBXGTFD-SFHVURJKSA-N -1 3 450.587 4.169 40 0 JIABHM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000030758437 556374151 /nfs/dbraw/zinc/37/41/51/556374151.db2.gz MOSQBIJEFPRAND-UHFFFAOYSA-N -1 3 460.939 4.088 40 0 JIABHM C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000059816885 569607839 /nfs/dbraw/zinc/60/78/39/569607839.db2.gz PVHPSYMIHZDPJM-CBGDNZLLSA-N -1 3 487.560 4.394 40 0 JIABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)cc1 ZINC000033599449 569628544 /nfs/dbraw/zinc/62/85/44/569628544.db2.gz KAJRHKGXNRCCBU-UHFFFAOYSA-N -1 3 498.557 4.080 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccccc1Cl ZINC000033667326 569630321 /nfs/dbraw/zinc/63/03/21/569630321.db2.gz MTSHYKPPMXGMLH-UHFFFAOYSA-N -1 3 465.358 4.489 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccc(Cl)cc1 ZINC000033789612 569635256 /nfs/dbraw/zinc/63/52/56/569635256.db2.gz QDQBFWVUMJNODS-UHFFFAOYSA-N -1 3 465.358 4.489 40 0 JIABHM C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000038774156 569807946 /nfs/dbraw/zinc/80/79/46/569807946.db2.gz RDQCPLPIMFAPHJ-OAHLLOKOSA-N -1 3 471.966 4.455 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102757336 569821610 /nfs/dbraw/zinc/82/16/10/569821610.db2.gz XNAWUXHNKFQZPE-BHIFYINESA-N -1 3 450.878 4.105 40 0 JIABHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)cc1 ZINC000102766098 569823144 /nfs/dbraw/zinc/82/31/44/569823144.db2.gz MXXPUJAGPGEIGE-NJYVYQBISA-N -1 3 466.852 4.228 40 0 JIABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000040390592 569825052 /nfs/dbraw/zinc/82/50/52/569825052.db2.gz JIJAAKVWXCRDBB-OLZOCXBDSA-N -1 3 497.905 4.276 40 0 JIABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000040400055 569827175 /nfs/dbraw/zinc/82/71/75/569827175.db2.gz SBSJYYUPEURODU-LJQANCHMSA-N -1 3 497.511 4.379 40 0 JIABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000222682011 569888440 /nfs/dbraw/zinc/88/84/40/569888440.db2.gz JNISISJIKVPUDO-UHFFFAOYSA-N -1 3 454.548 4.155 40 0 JIABHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000222700297 569888933 /nfs/dbraw/zinc/88/89/33/569888933.db2.gz LSYWSYMSIXISBO-MRXNPFEDSA-N -1 3 456.951 4.497 40 0 JIABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000222738857 569889975 /nfs/dbraw/zinc/88/99/75/569889975.db2.gz RWIJJMNJZPTPGV-UHFFFAOYSA-N -1 3 458.967 4.453 40 0 JIABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000222799374 569891367 /nfs/dbraw/zinc/89/13/67/569891367.db2.gz MEJZQUHULTYDOU-UHFFFAOYSA-N -1 3 488.993 4.495 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccc(OC)cc3)c(C)c2)cc1 ZINC000222806176 569891549 /nfs/dbraw/zinc/89/15/49/569891549.db2.gz KBZOPIFRJFUPBV-UHFFFAOYSA-N -1 3 498.601 4.241 40 0 JIABHM CC(C)Sc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 ZINC000223414583 569910462 /nfs/dbraw/zinc/91/04/62/569910462.db2.gz ITVUXAXFTXOPLO-UHFFFAOYSA-N -1 3 461.034 4.119 40 0 JIABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1C ZINC000224486353 569945935 /nfs/dbraw/zinc/94/59/35/569945935.db2.gz QZOIJIMOJNVJJI-ZDUSSCGKSA-N -1 3 450.973 4.100 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224874485 569961232 /nfs/dbraw/zinc/96/12/32/569961232.db2.gz HPMBNQSULYCBAR-UHFFFAOYSA-N -1 3 472.485 4.267 40 0 JIABHM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408600651 569968675 /nfs/dbraw/zinc/96/86/75/569968675.db2.gz BSTULQVNMKEIMD-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1Cl ZINC000408605615 569970889 /nfs/dbraw/zinc/97/08/89/569970889.db2.gz NDQVZNJFUJCYSN-UHFFFAOYSA-N -1 3 474.922 4.195 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408635878 569986219 /nfs/dbraw/zinc/98/62/19/569986219.db2.gz IVFBAAFDWCASSO-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)c(C)c2)cc1C ZINC000408674928 570009696 /nfs/dbraw/zinc/00/96/96/570009696.db2.gz MZIFWSJQLIOUPK-UHFFFAOYSA-N -1 3 452.576 4.450 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)c(C)c2)cc1 ZINC000408674963 570009701 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COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000020009427 555584536 /nfs/dbraw/zinc/58/45/36/555584536.db2.gz VUNIOZKHELJONO-FQEVSTJZSA-N -1 3 493.412 4.208 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000020009517 555584880 /nfs/dbraw/zinc/58/48/80/555584880.db2.gz HNJQEYVSLXNLBN-FQEVSTJZSA-N -1 3 458.967 4.185 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000020009829 555585600 /nfs/dbraw/zinc/58/56/00/555585600.db2.gz OLKPZOTVZWONGD-NRFANRHFSA-N -1 3 486.977 4.080 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000020010027 555585922 /nfs/dbraw/zinc/58/59/22/555585922.db2.gz ILUOIZGJQKYQMF-GOTSBHOMSA-N -1 3 499.032 4.432 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3OC)cc2)cc1 ZINC000020020484 555597197 /nfs/dbraw/zinc/59/71/97/555597197.db2.gz DUWOYQPKZFMBQJ-SFHVURJKSA-N -1 3 484.574 4.151 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 ZINC000020020495 555597244 /nfs/dbraw/zinc/59/72/44/555597244.db2.gz GQHMXXCKQSHMBI-VWLOTQADSA-N -1 3 480.586 4.459 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3OC)c(C)c2)cc1 ZINC000020022518 555600387 /nfs/dbraw/zinc/60/03/87/555600387.db2.gz UCFJLACSEICNIK-LJQANCHMSA-N -1 3 498.601 4.459 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)cc1 ZINC000020106625 555640183 /nfs/dbraw/zinc/64/01/83/555640183.db2.gz CIQJTDZEGUENOC-UHFFFAOYSA-N -1 3 493.994 4.073 40 0 JIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000010371339 555699662 /nfs/dbraw/zinc/69/96/62/555699662.db2.gz BRKSBBWKKWVILS-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1Cl ZINC000014399880 555805178 /nfs/dbraw/zinc/80/51/78/555805178.db2.gz GOBSKPFFGJJODV-UHFFFAOYSA-N -1 3 452.960 4.030 40 0 JIABHM CC(C)(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000013083652 556280341 /nfs/dbraw/zinc/28/03/41/556280341.db2.gz LJOVELFBMCDCMR-CQSZACIVSA-N -1 3 477.396 4.424 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000018211755 556311148 /nfs/dbraw/zinc/31/11/48/556311148.db2.gz RTCSXXQUPAKSCE-HJOGWXRNSA-N -1 3 456.498 4.223 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c(OC)c1 ZINC000033575460 569628185 /nfs/dbraw/zinc/62/81/85/569628185.db2.gz NVUPJTWUBHAKHF-UHFFFAOYSA-N -1 3 470.547 4.139 40 0 JIABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 ZINC000034791454 569660318 /nfs/dbraw/zinc/66/03/18/569660318.db2.gz FHFDNBQNLPZMKV-UHFFFAOYSA-N -1 3 466.972 4.191 40 0 JIABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000035103535 569674721 /nfs/dbraw/zinc/67/47/21/569674721.db2.gz XZHWHAUIDISMKT-UHFFFAOYSA-N -1 3 482.558 4.298 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NC1CCCCC1 ZINC000035339621 569681267 /nfs/dbraw/zinc/68/12/67/569681267.db2.gz VZRLAOOLHOCVQZ-UHFFFAOYSA-N -1 3 467.385 4.078 40 0 JIABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000097955790 569747841 /nfs/dbraw/zinc/74/78/41/569747841.db2.gz FKTACQKFCWTYRG-CYXNTTPDSA-N -1 3 488.540 4.326 40 0 JIABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400221 569827424 /nfs/dbraw/zinc/82/74/24/569827424.db2.gz WUVVBVYSPGQIHD-HNNXBMFYSA-N -1 3 471.439 4.159 40 0 JIABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000214676409 569876913 /nfs/dbraw/zinc/87/69/13/569876913.db2.gz ZFSILCICMPMWDB-MHWRWJLKSA-N -1 3 477.336 4.228 40 0 JIABHM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc([O-])c(I)c3)N21 ZINC000222666843 569888021 /nfs/dbraw/zinc/88/80/21/569888021.db2.gz NJDIKYDMZPFVHQ-CSMYWGQOSA-N -1 3 451.333 4.371 40 0 JIABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000222812126 569891778 /nfs/dbraw/zinc/89/17/78/569891778.db2.gz IWBMTHWZYONRAL-UHFFFAOYSA-N -1 3 468.575 4.463 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000408601091 569968895 /nfs/dbraw/zinc/96/88/95/569968895.db2.gz FENBWBOFUBAALW-UHFFFAOYSA-N -1 3 463.770 4.228 40 0 JIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408604974 569970614 /nfs/dbraw/zinc/97/06/14/569970614.db2.gz MHONSVSMNBAALL-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1Cl ZINC000408618318 569976663 /nfs/dbraw/zinc/97/66/63/569976663.db2.gz FHZSOXHUHFQIIW-UHFFFAOYSA-N -1 3 454.976 4.225 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408626189 569980600 /nfs/dbraw/zinc/98/06/00/569980600.db2.gz USYAIQVGGGKHPO-HNNXBMFYSA-N -1 3 460.939 4.446 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408636415 569986697 /nfs/dbraw/zinc/98/66/97/569986697.db2.gz QCZCTZDISDCJKG-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)ccc1[N-]S(C)(=O)=O ZINC000225415350 569995692 /nfs/dbraw/zinc/99/56/92/569995692.db2.gz ZDHIKPHFFZTHOX-OALUTQOASA-N -1 3 474.633 4.009 40 0 JIABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2C)cc1 ZINC000408674947 570009734 /nfs/dbraw/zinc/00/97/34/570009734.db2.gz FHUVVMACYYYWOY-UHFFFAOYSA-N -1 3 454.548 4.384 40 0 JIABHM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408680065 570012089 /nfs/dbraw/zinc/01/20/89/570012089.db2.gz YIJOPYGNUVADPV-UHFFFAOYSA-N -1 3 487.965 4.425 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000408693531 570016171 /nfs/dbraw/zinc/01/61/71/570016171.db2.gz YTKRITUMDGKPQA-UHFFFAOYSA-N -1 3 462.877 4.404 40 0 JIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408700717 570021270 /nfs/dbraw/zinc/02/12/70/570021270.db2.gz KTWRVQRVJAKYQW-KRWDZBQOSA-N -1 3 451.548 4.192 40 0 JIABHM CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257208486 570110587 /nfs/dbraw/zinc/11/05/87/570110587.db2.gz BMJNGSRGCKYTNF-SMISUXHESA-N -1 3 453.535 4.137 40 0 JIABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3Cc3ccccc3OCC(=O)[O-])O[C@@H]21 ZINC000257223575 570115100 /nfs/dbraw/zinc/11/51/00/570115100.db2.gz DXZAIKILOWGARX-NMNFXAFOSA-N -1 3 453.535 4.050 40 0 JIABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257269456 570129430 /nfs/dbraw/zinc/12/94/30/570129430.db2.gz MPZUAQAOAUSMJP-CGCKEFBRSA-N -1 3 453.535 4.137 40 0 JIABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCC(C)(C)CN3CCN(C)CC3)c1[O-])OC2(C)C ZINC000257292940 570136357 /nfs/dbraw/zinc/13/63/57/570136357.db2.gz QNNQMIKNQHLDJN-HMXCVIKNSA-N -1 3 457.659 4.086 40 0 JIABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257295798 570137207 /nfs/dbraw/zinc/13/72/07/570137207.db2.gz QZXIVGIOVHUIQL-GXBNZEJLSA-N -1 3 453.535 4.137 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000257309828 570141451 /nfs/dbraw/zinc/14/14/51/570141451.db2.gz UCOGOXPNVADUBN-DEOSSOPVSA-N -1 3 464.606 4.232 40 0 JIABHM CCOC(=O)[C@@]12C[C@@H]3[C@@H](O[C@@H]1CCN(Cc1ccccc1C(=O)[O-])C2)c1ccccc1OC3(C)C ZINC000257343265 570151371 /nfs/dbraw/zinc/15/13/71/570151371.db2.gz ZSFPSDAFHIXWQV-FFMLRLECSA-N -1 3 479.573 4.457 40 0 JIABHM CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1ccc([O-])c(Br)c1 ZINC000261362476 570167532 /nfs/dbraw/zinc/16/75/32/570167532.db2.gz DGMBSJIIFSRWLN-OAHLLOKOSA-O -1 3 497.192 4.062 40 0 JIABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(OC)c1 ZINC000261362133 570167545 /nfs/dbraw/zinc/16/75/45/570167545.db2.gz CGBPOXMXVHJPDV-IBGZPJMESA-O -1 3 490.403 4.478 40 0 JIABHM CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1cc([O-])ccc1Br ZINC000261363860 570168307 /nfs/dbraw/zinc/16/83/07/570168307.db2.gz XQEAGUSLEOVTDY-OAHLLOKOSA-O -1 3 497.192 4.062 40 0 JIABHM Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cc(Br)ccc1[O-] ZINC000408543214 570191974 /nfs/dbraw/zinc/19/19/74/570191974.db2.gz NRDZCTWKWCJPLS-UHFFFAOYSA-N -1 3 477.428 4.127 40 0 JIABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000001329614 194088944 /nfs/dbraw/zinc/08/89/44/194088944.db2.gz GGMDJLRINLQAIY-UHFFFAOYSA-N -1 3 468.560 4.382 40 0 JIABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cccc(F)c4)CC2)[n-]c3=O)cc1 ZINC000001324722 194085835 /nfs/dbraw/zinc/08/58/35/194085835.db2.gz NUFBAQUZVMARAV-UHFFFAOYSA-N -1 3 488.567 4.019 40 0 JIABHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)C2)cc1 ZINC000001334603 194093376 /nfs/dbraw/zinc/09/33/76/194093376.db2.gz PAERUYWSFNFFDF-LJQANCHMSA-N -1 3 488.567 4.019 40 0 JIABHM Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)C2)c1 ZINC000001334416 194093081 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CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c1 ZINC000002738801 554320462 /nfs/dbraw/zinc/32/04/62/554320462.db2.gz ROUVIKMTNQHSNQ-UHFFFAOYSA-N -1 3 459.531 4.329 40 0 JIABHM Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[n-]3)CC2)cc1 ZINC000006507080 554547849 /nfs/dbraw/zinc/54/78/49/554547849.db2.gz NOXSDAUDKSTXGB-UHFFFAOYSA-N -1 3 477.956 4.349 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000008741703 554644373 /nfs/dbraw/zinc/64/43/73/554644373.db2.gz GCEGBVWWMQCHPV-VSKRKVRLSA-N -1 3 462.527 4.284 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008763819 554664181 /nfs/dbraw/zinc/66/41/81/554664181.db2.gz NKEZYWTWEOVIMM-ZLNRFVROSA-N -1 3 492.915 4.186 40 0 JIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000009346438 555113282 /nfs/dbraw/zinc/11/32/82/555113282.db2.gz FKTACQKFCWTYRG-NXCFDTQHSA-N -1 3 488.540 4.326 40 0 JIABHM 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CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1 ZINC000033567365 569628023 /nfs/dbraw/zinc/62/80/23/569628023.db2.gz CPMPYOQBRBTVPK-UHFFFAOYSA-N -1 3 474.966 4.235 40 0 JIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100894350 569774588 /nfs/dbraw/zinc/77/45/88/569774588.db2.gz HUIYPMWXPZQSQU-VABKMULXSA-N -1 3 464.905 4.408 40 0 JIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101087626 569782061 /nfs/dbraw/zinc/78/20/61/569782061.db2.gz YNRQTQJLUDNUCN-VABKMULXSA-N -1 3 464.905 4.408 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101210019 569787155 /nfs/dbraw/zinc/78/71/55/569787155.db2.gz GDFNDKPKSZGTAM-FKBYEOEOSA-N -1 3 468.868 4.244 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102709739 569816853 /nfs/dbraw/zinc/81/68/53/569816853.db2.gz LMTGYTVVQHRCGZ-BHIFYINESA-N -1 3 495.329 4.214 40 0 JIABHM O=C([N-]n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040387780 569824474 /nfs/dbraw/zinc/82/44/74/569824474.db2.gz XJYQJGIAWXHZJR-UHFFFAOYSA-N -1 3 450.285 4.402 40 0 JIABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399173 569826216 /nfs/dbraw/zinc/82/62/16/569826216.db2.gz QUJDJJDGGJVQHD-QGZVFWFLSA-N -1 3 459.893 4.385 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCc2cc(Br)ccc21 ZINC000222676226 569888272 /nfs/dbraw/zinc/88/82/72/569888272.db2.gz MHNHKZZUOBJHDO-UHFFFAOYSA-N -1 3 487.375 4.218 40 0 JIABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000222679144 569888359 /nfs/dbraw/zinc/88/83/59/569888359.db2.gz CPHHDIADARNJQL-UHFFFAOYSA-N -1 3 468.575 4.150 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)c(C)c2)cc1 ZINC000222806981 569891554 /nfs/dbraw/zinc/89/15/54/569891554.db2.gz HXVURVDAKFSLNL-UHFFFAOYSA-N -1 3 468.575 4.198 40 0 JIABHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000223324720 569907586 /nfs/dbraw/zinc/90/75/86/569907586.db2.gz OXIGJVAENFXZLR-GFCCVEGCSA-N -1 3 450.973 4.046 40 0 JIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000224214503 569936770 /nfs/dbraw/zinc/93/67/70/569936770.db2.gz WMWWPSZAUKIZLH-UHFFFAOYSA-N -1 3 480.384 4.284 40 0 JIABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1C ZINC000224817122 569959005 /nfs/dbraw/zinc/95/90/05/569959005.db2.gz SMQPRRGZNRYHGL-CYBMUJFWSA-N -1 3 450.973 4.100 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408601368 569969054 /nfs/dbraw/zinc/96/90/54/569969054.db2.gz GAVANUSXQSYIIL-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408602824 569969693 /nfs/dbraw/zinc/96/96/93/569969693.db2.gz JDRZLFJLVGKRNF-UHFFFAOYSA-N -1 3 474.966 4.153 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)c(Cl)c2)cc1 ZINC000408623603 569979311 /nfs/dbraw/zinc/97/93/11/569979311.db2.gz PDKZCRACIUXEOE-UHFFFAOYSA-N -1 3 488.993 4.277 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408635901 569986181 /nfs/dbraw/zinc/98/61/81/569986181.db2.gz JHKHIYCZFHYHRG-UHFFFAOYSA-N -1 3 474.966 4.153 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)c(Cl)c2)cc1 ZINC000408635912 569986230 /nfs/dbraw/zinc/98/62/30/569986230.db2.gz JMUMTZQXZGVFPF-UHFFFAOYSA-N -1 3 474.966 4.187 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000408636333 569986577 /nfs/dbraw/zinc/98/65/77/569986577.db2.gz OLQGRQMQUULIJM-UHFFFAOYSA-N -1 3 464.902 4.306 40 0 JIABHM CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc([N-]S(C)(=O)=O)c(OC)c2)c1C ZINC000225423176 569996075 /nfs/dbraw/zinc/99/60/75/569996075.db2.gz WCDBSHPDMPMJQI-GOTSBHOMSA-N -1 3 499.662 4.077 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1Cl ZINC000408675062 570009874 /nfs/dbraw/zinc/00/98/74/570009874.db2.gz GEXWJEBUPTWPCH-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408675078 570009978 /nfs/dbraw/zinc/00/99/78/570009978.db2.gz GHPARGOINSEJTG-UHFFFAOYSA-N -1 3 488.949 4.253 40 0 JIABHM COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408675136 570010023 /nfs/dbraw/zinc/01/00/23/570010023.db2.gz SSSKXHPNBZMRGA-UHFFFAOYSA-N -1 3 468.575 4.116 40 0 JIABHM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc([O-])c(I)c3)S2)cc1 ZINC000408783670 570042335 /nfs/dbraw/zinc/04/23/35/570042335.db2.gz OGFTZNCXBNHUDW-FJJYYWMZSA-N -1 3 452.317 4.159 40 0 JIABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)Nc3cccc(CS(N)(=O)=O)c3)ccc1OC2(C)C ZINC000257261503 570126859 /nfs/dbraw/zinc/12/68/59/570126859.db2.gz LHQFEEKRUGIZHY-NIKGAXFTSA-N -1 3 458.580 4.124 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccccc1 ZINC000408550882 570195100 /nfs/dbraw/zinc/19/51/00/570195100.db2.gz FZYZCTMNFGESMZ-UHFFFAOYSA-N -1 3 461.337 4.267 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1Cl ZINC000408555305 570196883 /nfs/dbraw/zinc/19/68/83/570196883.db2.gz AFEBKGUGWXTUEJ-UHFFFAOYSA-N -1 3 482.892 4.445 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557963 570198563 /nfs/dbraw/zinc/19/85/63/570198563.db2.gz PCXPQTUAXKTJBM-UHFFFAOYSA-N -1 3 476.938 4.419 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)c(Cl)c2)cc1 ZINC000408584773 570207697 /nfs/dbraw/zinc/20/76/97/570207697.db2.gz UXIMBELDJSBMNT-UHFFFAOYSA-N -1 3 458.967 4.187 40 0 JIABHM C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2ccccc2[O-])n1C[C@@H]1CCCO1 ZINC000012706542 195092917 /nfs/dbraw/zinc/09/29/17/195092917.db2.gz KGHXZIGFNXSINH-APWZRJJASA-N -1 3 482.581 4.429 40 0 JIABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000044844041 521925451 /nfs/dbraw/zinc/92/54/51/521925451.db2.gz HXNNYJWXEFULHS-KRWDZBQOSA-N -1 3 454.548 4.464 40 0 JIABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccccc3)n2)cc1Br ZINC000016226744 523169869 /nfs/dbraw/zinc/16/98/69/523169869.db2.gz YMIXBDSLJDAJSU-UHFFFAOYSA-N -1 3 478.393 4.473 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020020333 524694771 /nfs/dbraw/zinc/69/47/71/524694771.db2.gz GIAQXIMQHCTAHH-INIZCTEOSA-N -1 3 474.966 4.406 40 0 JIABHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)c3ccc(Cl)cc3Cl)[n-]c2=O)cc1 ZINC000016689807 524695226 /nfs/dbraw/zinc/69/52/26/524695226.db2.gz FFRNRFXBGVFCLK-UHFFFAOYSA-N -1 3 460.346 4.406 40 0 JIABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000020495315 525217299 /nfs/dbraw/zinc/21/72/99/525217299.db2.gz XSZHQGKULPUDPX-UHFFFAOYSA-N -1 3 462.930 4.360 40 0 JIABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020457329 525272901 /nfs/dbraw/zinc/27/29/01/525272901.db2.gz ZNSRJFJVQODYEF-UHFFFAOYSA-N -1 3 493.994 4.073 40 0 JIABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3[O-])oc2c1 ZINC000009064899 554884361 /nfs/dbraw/zinc/88/43/61/554884361.db2.gz AUVOTYQPAQKYQL-UHFFFAOYSA-N -1 3 461.499 4.407 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000020009441 555584828 /nfs/dbraw/zinc/58/48/28/555584828.db2.gz NYSRHEWGNMPFAP-LAUBAEHRSA-N -1 3 472.994 4.116 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000020009696 555585576 /nfs/dbraw/zinc/58/55/76/555585576.db2.gz LPLLGNMVHPHBJB-GOSISDBHSA-N -1 3 480.920 4.155 40 0 JIABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000020019984 555596241 /nfs/dbraw/zinc/59/62/41/555596241.db2.gz UEIIVAGNZRVTQL-IBGZPJMESA-N -1 3 498.601 4.378 40 0 JIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000020020221 555596979 /nfs/dbraw/zinc/59/69/79/555596979.db2.gz NWRFTMUJUHBJFF-DEOSSOPVSA-N -1 3 450.560 4.368 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1 ZINC000020020514 555597266 /nfs/dbraw/zinc/59/72/66/555597266.db2.gz FRMNXJDGQXFXAD-UHFFFAOYSA-N -1 3 462.474 4.182 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1OC ZINC000020021587 555598800 /nfs/dbraw/zinc/59/88/00/555598800.db2.gz ZVUZAEBCDMGNIE-LJQANCHMSA-N -1 3 498.601 4.378 40 0 JIABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020046783 555617195 /nfs/dbraw/zinc/61/71/95/555617195.db2.gz AJYPCNJWQVUMFI-JOCHJYFZSA-N -1 3 458.511 4.431 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000011582446 555788250 /nfs/dbraw/zinc/78/82/50/555788250.db2.gz CKZAHMJDNFJSRR-FKBYEOEOSA-N -1 3 484.430 4.471 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000011666678 555797192 /nfs/dbraw/zinc/79/71/92/555797192.db2.gz NMRMDEFPEGIYCU-VJBWXMMDSA-N -1 3 474.538 4.246 40 0 JIABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1cccnc1 ZINC000022107349 555874385 /nfs/dbraw/zinc/87/43/85/555874385.db2.gz JGKFPJOPFYOBTP-UHFFFAOYSA-N -1 3 457.324 4.420 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017779216 556266225 /nfs/dbraw/zinc/26/62/25/556266225.db2.gz DKVYRRTUBAJEII-FSSWDIPSSA-N -1 3 450.878 4.105 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018088102 556285830 /nfs/dbraw/zinc/28/58/30/556285830.db2.gz JMFMTIDPAFEIIF-FSSWDIPSSA-N -1 3 495.329 4.214 40 0 JIABHM CC1CCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)cc2)CC1 ZINC000030754944 556372962 /nfs/dbraw/zinc/37/29/62/556372962.db2.gz NIZUDKMEYJYNLL-UHFFFAOYSA-N -1 3 464.591 4.367 40 0 JIABHM COC(=O)c1cc([O-])c2c(c1C(=O)OC)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000033715883 569631575 /nfs/dbraw/zinc/63/15/75/569631575.db2.gz PUSREACFDNWXQI-DNVBSMDRSA-N -1 3 454.563 4.303 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1Cl ZINC000034869352 569668308 /nfs/dbraw/zinc/66/83/08/569668308.db2.gz BXUSMDYKBAYWSP-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000095396966 569723124 /nfs/dbraw/zinc/72/31/24/569723124.db2.gz GCEGBVWWMQCHPV-BDTNDASRSA-N -1 3 462.527 4.284 40 0 JIABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000101026103 569779974 /nfs/dbraw/zinc/77/99/74/569779974.db2.gz NQPPPVRLHXBNOG-DSITVLBTSA-N -1 3 474.513 4.241 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000039773584 569812041 /nfs/dbraw/zinc/81/20/41/569812041.db2.gz PBJUMKGTUTVZHB-UHFFFAOYSA-N -1 3 497.592 4.486 40 0 JIABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000108240142 569859227 /nfs/dbraw/zinc/85/92/27/569859227.db2.gz NSAQKIAIQUEATQ-UHFFFAOYSA-N -1 3 454.548 4.439 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NCc1cccc2ccccc21 ZINC000222713758 569889338 /nfs/dbraw/zinc/88/93/38/569889338.db2.gz PVZGPQYXWYIXIX-UHFFFAOYSA-N -1 3 464.518 4.475 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2)cc1 ZINC000222762046 569890495 /nfs/dbraw/zinc/89/04/95/569890495.db2.gz XDZOBNBTZQQXNL-IBGZPJMESA-N -1 3 450.560 4.461 40 0 JIABHM Cc1ccc(CN(C)S(=O)(=O)c2nnc([N-]C(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000223068909 569898430 /nfs/dbraw/zinc/89/84/30/569898430.db2.gz REIDROITELBXHN-UHFFFAOYSA-N -1 3 471.391 4.226 40 0 JIABHM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000223124072 569900207 /nfs/dbraw/zinc/90/02/07/569900207.db2.gz ZKRRKHJQYCSFBA-INIZCTEOSA-N -1 3 493.010 4.333 40 0 JIABHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000223540612 569915243 /nfs/dbraw/zinc/91/52/43/569915243.db2.gz GXKIRSDXSAIBDS-HXUWFJFHSA-N -1 3 464.572 4.167 40 0 JIABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1c(F)cccc1Cl ZINC000223617685 569918018 /nfs/dbraw/zinc/91/80/18/569918018.db2.gz PZWQIUYMXUDHCC-UHFFFAOYSA-N -1 3 468.797 4.462 40 0 JIABHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c3ccccc3Cl)s1)CC(C)(C)O2 ZINC000224167082 569935109 /nfs/dbraw/zinc/93/51/09/569935109.db2.gz HSTDGILTXUSREZ-MRXNPFEDSA-N -1 3 493.010 4.333 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(F)cc3)cc2Cl)cc1 ZINC000224411255 569943734 /nfs/dbraw/zinc/94/37/34/569943734.db2.gz SQQCLTHCQCUEJO-UHFFFAOYSA-N -1 3 462.930 4.397 40 0 JIABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(C)c1 ZINC000224760095 569956420 /nfs/dbraw/zinc/95/64/20/569956420.db2.gz NAMWTJCXVIKZFS-CYBMUJFWSA-N -1 3 450.973 4.100 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408605308 569970679 /nfs/dbraw/zinc/97/06/79/569970679.db2.gz GCVWZKZUFXDVCK-OAHLLOKOSA-N -1 3 466.987 4.366 40 0 JIABHM CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1Cl ZINC000408623601 569979354 /nfs/dbraw/zinc/97/93/54/569979354.db2.gz PDGRKZYSDSGREO-OAHLLOKOSA-N -1 3 454.976 4.223 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)N1CCCCC1 ZINC000408635630 569985953 /nfs/dbraw/zinc/98/59/53/569985953.db2.gz GEFKAKLGHOCIOS-UHFFFAOYSA-N -1 3 455.349 4.324 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(C)=O)c3)c(Cl)c2)cc1 ZINC000408636323 569986534 /nfs/dbraw/zinc/98/65/34/569986534.db2.gz OGULCNLBBDHRLM-UHFFFAOYSA-N -1 3 488.949 4.370 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)ccc1[N-]S(C)(=O)=O ZINC000225415637 569995776 /nfs/dbraw/zinc/99/57/76/569995776.db2.gz MOSYPPMCVWYUJH-OALUTQOASA-N -1 3 495.051 4.354 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)c(C)c2)cc1 ZINC000408674775 570009606 /nfs/dbraw/zinc/00/96/06/570009606.db2.gz HMJBEFXBMHWIMI-UHFFFAOYSA-N -1 3 470.547 4.221 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(C)c2)cc1 ZINC000408674922 570009659 /nfs/dbraw/zinc/00/96/59/570009659.db2.gz MNOSEQSFVILNCD-UHFFFAOYSA-N -1 3 462.474 4.100 40 0 JIABHM Cc1ccc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000225614798 570009812 /nfs/dbraw/zinc/00/98/12/570009812.db2.gz KYGKOKJDHSYCDO-ZDUSSCGKSA-N -1 3 450.973 4.100 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(C)c2)cc1 ZINC000408675128 570009981 /nfs/dbraw/zinc/00/99/81/570009981.db2.gz SJXBOJDEGVFJFV-UHFFFAOYSA-N -1 3 460.596 4.412 40 0 JIABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000408675257 570010112 /nfs/dbraw/zinc/01/01/12/570010112.db2.gz UGWHAPJGMYTGRF-UHFFFAOYSA-N -1 3 470.547 4.221 40 0 JIABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)c2ccccc12 ZINC000225928613 570028150 /nfs/dbraw/zinc/02/81/50/570028150.db2.gz YYLSBEOHMVJPGG-UHFFFAOYSA-N -1 3 462.930 4.232 40 0 JIABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OC ZINC000408921872 570077481 /nfs/dbraw/zinc/07/74/81/570077481.db2.gz JSNIQQPNKPNOGE-UHFFFAOYSA-N -1 3 454.548 4.303 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)c(C)c1 ZINC000408923977 570077988 /nfs/dbraw/zinc/07/79/88/570077988.db2.gz IUNVJLILVTYKCW-LFYBBSHMSA-N -1 3 450.516 4.485 40 0 JIABHM COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3Cc3ccc(OCC(=O)[O-])cc3)O[C@H]21 ZINC000257268955 570129264 /nfs/dbraw/zinc/12/92/64/570129264.db2.gz MNYBPCVKCAGFLW-SEDAZVQISA-N -1 3 453.535 4.050 40 0 JIABHM Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408542077 570191742 /nfs/dbraw/zinc/19/17/42/570191742.db2.gz GUBFJLYEMVIHLD-UHFFFAOYSA-N -1 3 453.749 4.334 40 0 JIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Br)cc1 ZINC000408544433 570192568 /nfs/dbraw/zinc/19/25/68/570192568.db2.gz JDPCRKZPRROEES-UHFFFAOYSA-N -1 3 484.173 4.433 40 0 JIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Br)cc1 ZINC000408544433 570192569 /nfs/dbraw/zinc/19/25/69/570192569.db2.gz JDPCRKZPRROEES-UHFFFAOYSA-N -1 3 484.173 4.433 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCCc1ccccc1 ZINC000408550841 570195146 /nfs/dbraw/zinc/19/51/46/570195146.db2.gz FTLNTXFLUQLOKP-UHFFFAOYSA-N -1 3 478.492 4.244 40 0 JIABHM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408591965 570209396 /nfs/dbraw/zinc/20/93/96/570209396.db2.gz MRLMBFMJXZGVHW-UHFFFAOYSA-N -1 3 494.928 4.315 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)N1CCc2ccccc2C1 ZINC000408593249 570209735 /nfs/dbraw/zinc/20/97/35/570209735.db2.gz PUKVOJWAVJMORF-UHFFFAOYSA-N -1 3 474.941 4.244 40 0 JIABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408593379 570209760 /nfs/dbraw/zinc/20/97/60/570209760.db2.gz QBUPIJOUEBZTCN-UHFFFAOYSA-N -1 3 458.967 4.453 40 0 JIABHM Cc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)c1 ZINC000001324995 194086113 /nfs/dbraw/zinc/08/61/13/194086113.db2.gz XKLFUDPMBIXMHX-UHFFFAOYSA-N -1 3 497.386 4.198 40 0 JIABHM O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325066 194086278 /nfs/dbraw/zinc/08/62/78/194086278.db2.gz MMRRJYQAENAKCZ-UHFFFAOYSA-N -1 3 489.407 4.156 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000016293318 525301098 /nfs/dbraw/zinc/30/10/98/525301098.db2.gz ADABPJCCJMZXQG-FQEVSTJZSA-N -1 3 452.576 4.312 40 0 JIABHM O=c1[nH]c(CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)nc2ccccc21 ZINC000000880760 553817474 /nfs/dbraw/zinc/81/74/74/553817474.db2.gz PAJSNBCZPKYRNI-UHFFFAOYSA-N -1 3 455.543 4.422 40 0 JIABHM C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2ccccc2[O-])n1C[C@H]1CCCO1 ZINC000000904553 553837172 /nfs/dbraw/zinc/83/71/72/553837172.db2.gz KGHXZIGFNXSINH-QFBILLFUSA-N -1 3 482.581 4.429 40 0 JIABHM CCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006878461 554560029 /nfs/dbraw/zinc/56/00/29/554560029.db2.gz PLIFNQDHMJQUAA-UHFFFAOYSA-N -1 3 483.575 4.106 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000008741702 554644353 /nfs/dbraw/zinc/64/43/53/554644353.db2.gz GCEGBVWWMQCHPV-FSSWDIPSSA-N -1 3 462.527 4.284 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1c(C)cccc1C ZINC000020009546 555584809 /nfs/dbraw/zinc/58/48/09/555584809.db2.gz MSLWJZSRTXJPDY-HXUWFJFHSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1C ZINC000020009523 555584904 /nfs/dbraw/zinc/58/49/04/555584904.db2.gz YJBGQEVUSMZJRN-NRFANRHFSA-N -1 3 472.994 4.494 40 0 JIABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020019847 555595949 /nfs/dbraw/zinc/59/59/49/555595949.db2.gz GTEIIXZCDUFCSW-SFHVURJKSA-N -1 3 454.548 4.061 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1OC ZINC000020020058 555596268 /nfs/dbraw/zinc/59/62/68/555596268.db2.gz SUYGCVHOAQZNRI-GOSISDBHSA-N -1 3 484.574 4.069 40 0 JIABHM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2)n1 ZINC000020049602 555619124 /nfs/dbraw/zinc/61/91/24/555619124.db2.gz ZCFBLGYSLFNJTL-UHFFFAOYSA-N -1 3 479.606 4.070 40 0 JIABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(NC(C)=O)cc1 ZINC000013804407 555622531 /nfs/dbraw/zinc/62/25/31/555622531.db2.gz VFKHRZXLQGMXTJ-SDHOMARFSA-N -1 3 471.513 4.095 40 0 JIABHM CCn1c(SCC(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000020602331 555843145 /nfs/dbraw/zinc/84/31/45/555843145.db2.gz BJMOYXGMSRESBW-SPYBWZPUSA-N -1 3 487.935 4.174 40 0 JIABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000012017522 555885357 /nfs/dbraw/zinc/88/53/57/555885357.db2.gz QAFGMPZFOYDIMG-QYZOEREBSA-N -1 3 486.933 4.449 40 0 JIABHM O=C(CSCc1nc2c(nnn2Cc2ccc(F)cc2)c(=O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000015987535 556101621 /nfs/dbraw/zinc/10/16/21/556101621.db2.gz VZTHDWIHIWCTBZ-UHFFFAOYSA-N -1 3 492.458 4.005 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018029616 556278008 /nfs/dbraw/zinc/27/80/08/556278008.db2.gz TVAZPMIFQMFVAP-FKBYEOEOSA-N -1 3 450.878 4.105 40 0 JIABHM CC(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)C1 ZINC000013083438 556279888 /nfs/dbraw/zinc/27/98/88/556279888.db2.gz KSINKBOZJLSVLC-GOSISDBHSA-N -1 3 450.587 4.025 40 0 JIABHM COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018084304 556285155 /nfs/dbraw/zinc/28/51/55/556285155.db2.gz CKVGSLAKNHETNL-SGNDLWITSA-N -1 3 494.931 4.417 40 0 JIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000018102734 556288085 /nfs/dbraw/zinc/28/80/85/556288085.db2.gz PUYIJNAEWMWCFW-HFMPRLQTSA-N -1 3 494.931 4.417 40 0 JIABHM COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030851630 556377442 /nfs/dbraw/zinc/37/74/42/556377442.db2.gz OSGNKDOSMVMYNX-MRXNPFEDSA-N -1 3 474.966 4.347 40 0 JIABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c1 ZINC000033785584 569634971 /nfs/dbraw/zinc/63/49/71/569634971.db2.gz OTZYAYRUJFWGCX-UHFFFAOYSA-N -1 3 452.532 4.324 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1OC ZINC000033862287 569636506 /nfs/dbraw/zinc/63/65/06/569636506.db2.gz RECAEYFMKLBQKH-UHFFFAOYSA-N -1 3 470.547 4.139 40 0 JIABHM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000034861551 569667809 /nfs/dbraw/zinc/66/78/09/569667809.db2.gz ANVVUQKZQKKKPH-UHFFFAOYSA-N -1 3 467.547 4.080 40 0 JIABHM Cc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccc(F)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035099249 569674707 /nfs/dbraw/zinc/67/47/07/569674707.db2.gz ZHCQVLVRZGUEJE-XQBPLPMBSA-N -1 3 462.399 4.498 40 0 JIABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000101245019 569788103 /nfs/dbraw/zinc/78/81/03/569788103.db2.gz UFYYXMOISBUMNI-FXSPECFOSA-N -1 3 488.540 4.326 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102762025 569822340 /nfs/dbraw/zinc/82/23/40/569822340.db2.gz GDFNDKPKSZGTAM-BHIFYINESA-N -1 3 468.868 4.244 40 0 JIABHM COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102765938 569822800 /nfs/dbraw/zinc/82/28/00/569822800.db2.gz CKVGSLAKNHETNL-TZRRMPRUSA-N -1 3 494.931 4.417 40 0 JIABHM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000040389047 569824876 /nfs/dbraw/zinc/82/48/76/569824876.db2.gz QPGRGYJGQALLCH-UZLBHIALSA-N -1 3 473.533 4.006 40 0 JIABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[n-]c(=O)c32)cc1 ZINC000040399285 569826311 /nfs/dbraw/zinc/82/63/11/569826311.db2.gz JKPGLAAKKCHQPT-QGZVFWFLSA-N -1 3 451.914 4.355 40 0 JIABHM O=C(N=C([S-])Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)C(Cl)(Cl)Cl ZINC000106107163 569853750 /nfs/dbraw/zinc/85/37/50/569853750.db2.gz MWIBRVXBCJLLSK-UHFFFAOYSA-N -1 3 477.156 4.324 40 0 JIABHM O=C([N-]C(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)C(Cl)(Cl)Cl ZINC000106107163 569853751 /nfs/dbraw/zinc/85/37/51/569853751.db2.gz MWIBRVXBCJLLSK-UHFFFAOYSA-N -1 3 477.156 4.324 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)cc1Cl ZINC000107834498 569857618 /nfs/dbraw/zinc/85/76/18/569857618.db2.gz OMKHVUOHXFTWJB-UHFFFAOYSA-N -1 3 495.384 4.498 40 0 JIABHM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc([O-])c(I)c3)N21 ZINC000222666732 569888067 /nfs/dbraw/zinc/88/80/67/569888067.db2.gz NJDIKYDMZPFVHQ-OAUYIBNBSA-N -1 3 451.333 4.371 40 0 JIABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)c1 ZINC000222692956 569888747 /nfs/dbraw/zinc/88/87/47/569888747.db2.gz NODAMJHYVABWRY-UHFFFAOYSA-N -1 3 456.539 4.281 40 0 JIABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000222764581 569890485 /nfs/dbraw/zinc/89/04/85/569890485.db2.gz VIRSDWXMVHIABI-UHFFFAOYSA-N -1 3 454.548 4.155 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222803092 569891463 /nfs/dbraw/zinc/89/14/63/569891463.db2.gz MEIGNTWFDHNCCG-QGZVFWFLSA-N -1 3 454.523 4.292 40 0 JIABHM CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000223287703 569906236 /nfs/dbraw/zinc/90/62/36/569906236.db2.gz OYSPCTJKXNOCFL-RTWAWAEBSA-N -1 3 470.982 4.227 40 0 JIABHM CCc1ccc(CC)c(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 ZINC000223487909 569913138 /nfs/dbraw/zinc/91/31/38/569913138.db2.gz VVSOGEVKZDBVRO-UHFFFAOYSA-N -1 3 465.000 4.047 40 0 JIABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000223634602 569918590 /nfs/dbraw/zinc/91/85/90/569918590.db2.gz XWBBIYKOPNCADT-UHFFFAOYSA-N -1 3 450.358 4.242 40 0 JIABHM O=C(Nc1nnc(S(=O)(=O)[N-]c2c(F)cccc2F)s1)c1ccc(Cl)cc1Cl ZINC000223723455 569921216 /nfs/dbraw/zinc/92/12/16/569921216.db2.gz GAXFFXJNEUYILA-UHFFFAOYSA-N -1 3 465.290 4.176 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(OC)c1 ZINC000408605114 569970623 /nfs/dbraw/zinc/97/06/23/569970623.db2.gz MQLYHLXBPRNBMY-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[N-]c1nnc(SCC(C)C)s1 ZINC000225067657 569973183 /nfs/dbraw/zinc/97/31/83/569973183.db2.gz XNBPIFXPBDJHFK-UHFFFAOYSA-N -1 3 484.669 4.112 40 0 JIABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)ccc1[N-]S(C)(=O)=O ZINC000225415444 569995665 /nfs/dbraw/zinc/99/56/65/569995665.db2.gz JUUNWCAWWJIBQC-PMACEKPBSA-N -1 3 474.633 4.009 40 0 JIABHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408674682 570009381 /nfs/dbraw/zinc/00/93/81/570009381.db2.gz BFMPGTHCOIQRBG-UHFFFAOYSA-N -1 3 488.949 4.253 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408674787 570009481 /nfs/dbraw/zinc/00/94/81/570009481.db2.gz HQHMGNINPYLGBW-HXUWFJFHSA-N -1 3 482.602 4.321 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(C)c2)cc1 ZINC000408675602 570010465 /nfs/dbraw/zinc/01/04/65/570010465.db2.gz JLHSYIRFIGXGTK-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 ZINC000225744349 570019279 /nfs/dbraw/zinc/01/92/79/570019279.db2.gz JNSASCOLPDZXJC-UHFFFAOYSA-N -1 3 488.974 4.352 40 0 JIABHM CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c([O-])c(OC)c3)S2)cc1 ZINC000408787854 570043511 /nfs/dbraw/zinc/04/35/11/570043511.db2.gz AHQUXQGSJHPZLQ-LZOLKVDOSA-N -1 3 482.343 4.167 40 0 JIABHM COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(I)c([O-])c(OC)c2)S1 ZINC000408802563 570046169 /nfs/dbraw/zinc/04/61/69/570046169.db2.gz YUFWKRLKRZKMJP-UHFFFAOYSA-N -1 3 497.334 4.085 40 0 JIABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000408866138 570058224 /nfs/dbraw/zinc/05/82/24/570058224.db2.gz DOSLOYYBKFOIKJ-SXGWCWSVSA-N -1 3 450.875 4.258 40 0 JIABHM COc1ccccc1N1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000409059626 570113520 /nfs/dbraw/zinc/11/35/20/570113520.db2.gz RFJDNLKKDJABQA-DHDCSXOGSA-N -1 3 453.257 4.246 40 0 JIABHM O=C(CCNC(=O)c1cncc([O-])c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257228204 570116589 /nfs/dbraw/zinc/11/65/89/570116589.db2.gz FSULTAAJVBGITL-FQEVSTJZSA-N -1 3 487.482 4.070 40 0 JIABHM C[C@H]1CCCCN1C(=O)Cn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21 ZINC000409127352 570138552 /nfs/dbraw/zinc/13/85/52/570138552.db2.gz HHPBXEJITLAWJY-OYZNXWOWSA-N -1 3 462.369 4.129 40 0 JIABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1[O-] ZINC000409232138 570178148 /nfs/dbraw/zinc/17/81/48/570178148.db2.gz NGAZTCWFUPHYCW-LZYBPNLTSA-N -1 3 495.326 4.368 40 0 JIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1Br ZINC000408542216 570191765 /nfs/dbraw/zinc/19/17/65/570191765.db2.gz HVADEFSPVHQCOB-UHFFFAOYSA-N -1 3 484.173 4.433 40 0 JIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1Br ZINC000408542216 570191766 /nfs/dbraw/zinc/19/17/66/570191766.db2.gz HVADEFSPVHQCOB-UHFFFAOYSA-N -1 3 484.173 4.433 40 0 JIABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)NC12CC3CC(CC(C3)C1)C2 ZINC000408545098 570192656 /nfs/dbraw/zinc/19/26/56/570192656.db2.gz YPFMMZIGFDABKN-UHFFFAOYSA-N -1 3 463.401 4.117 40 0 JIABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)NC12CC3CC(CC(C3)C1)C2 ZINC000408545098 570192658 /nfs/dbraw/zinc/19/26/58/570192658.db2.gz YPFMMZIGFDABKN-UHFFFAOYSA-N -1 3 463.401 4.117 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557192 570198073 /nfs/dbraw/zinc/19/80/73/570198073.db2.gz LZECJLDTZHXCDG-UHFFFAOYSA-N -1 3 474.922 4.173 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000408581971 570206863 /nfs/dbraw/zinc/20/68/63/570206863.db2.gz BGGVSKZVCPGOLQ-FQEVSTJZSA-N -1 3 482.602 4.402 40 0 JIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000408584151 570207484 /nfs/dbraw/zinc/20/74/84/570207484.db2.gz MKTRUCRATVDWDE-HXUWFJFHSA-N -1 3 452.576 4.312 40 0 JIABHM O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408591499 570209222 /nfs/dbraw/zinc/20/92/22/570209222.db2.gz INVWIBFVEWSPBD-FQEVSTJZSA-N -1 3 463.386 4.199 40 0 JIABHM CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408591420 570209281 /nfs/dbraw/zinc/20/92/81/570209281.db2.gz MDQPTMYRTNTYPS-UHFFFAOYSA-N -1 3 487.965 4.425 40 0 JIABHM Cc1cccc(-n2c(SCC(=O)NCc3ccc4c(c3)OCO4)nnc2-c2ccccc2[O-])c1C ZINC000001328300 194088457 /nfs/dbraw/zinc/08/84/57/194088457.db2.gz STAODRAABQXTMU-UHFFFAOYSA-N -1 3 488.569 4.394 40 0 JIABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CCc4ccccc4)C2)[n-]c3=O)cc1 ZINC000001334422 194092862 /nfs/dbraw/zinc/09/28/62/194092862.db2.gz VDQVPBSMPPIUDY-QFIPXVFZSA-N -1 3 498.631 4.199 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000004110955 194379464 /nfs/dbraw/zinc/37/94/64/194379464.db2.gz HNJRRLPWIAKGJM-HBMCJLEFSA-N -1 3 466.877 4.161 40 0 JIABHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3 ZINC000006195065 521391229 /nfs/dbraw/zinc/39/12/29/521391229.db2.gz RNGSQMPRZKAWDN-UHFFFAOYSA-N -1 3 477.633 4.449 40 0 JIABHM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000022530505 523969856 /nfs/dbraw/zinc/96/98/56/523969856.db2.gz KOXRHICCYYPVMJ-UHFFFAOYSA-N -1 3 488.993 4.439 40 0 JIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c1 ZINC000020491524 524160679 /nfs/dbraw/zinc/16/06/79/524160679.db2.gz CESJHBDGIWOVPP-UHFFFAOYSA-N -1 3 479.602 4.189 40 0 JIABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016293416 524227537 /nfs/dbraw/zinc/22/75/37/524227537.db2.gz TZGLIICEFJLKGG-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000016490359 526967452 /nfs/dbraw/zinc/96/74/52/526967452.db2.gz LJKNEXGPZDUMPH-UHFFFAOYSA-N -1 3 465.358 4.489 40 0 JIABHM O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000008741774 554644398 /nfs/dbraw/zinc/64/43/98/554644398.db2.gz NKLOKYNUFALPND-HFMPRLQTSA-N -1 3 470.447 4.370 40 0 JIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063606 554881401 /nfs/dbraw/zinc/88/14/01/554881401.db2.gz IYOGHMBLOSPMJT-UHFFFAOYSA-N -1 3 467.566 4.477 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)NC(C)C ZINC000013679754 555571564 /nfs/dbraw/zinc/57/15/64/555571564.db2.gz ZMHCDRMOXWWPJG-UHFFFAOYSA-N -1 3 454.548 4.213 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000020009444 555584901 /nfs/dbraw/zinc/58/49/01/555584901.db2.gz NYSRHEWGNMPFAP-UTKZUKDTSA-N -1 3 472.994 4.116 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cc(F)ccc1F ZINC000020010065 555585971 /nfs/dbraw/zinc/58/59/71/555585971.db2.gz UENKTCJAEZIYAC-LJQANCHMSA-N -1 3 480.920 4.155 40 0 JIABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000020019979 555596172 /nfs/dbraw/zinc/59/61/72/555596172.db2.gz LUQFDZINBFZKCR-IBGZPJMESA-N -1 3 468.575 4.369 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000020020719 555597836 /nfs/dbraw/zinc/59/78/36/555597836.db2.gz OYWUFNSFVQKPFU-UHFFFAOYSA-N -1 3 454.401 4.061 40 0 JIABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000010213102 555646556 /nfs/dbraw/zinc/64/65/56/555646556.db2.gz BICVJVASZICQTJ-FIKGOQFSSA-N -1 3 476.570 4.175 40 0 JIABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010361637 555696749 /nfs/dbraw/zinc/69/67/49/555696749.db2.gz GMXDRCUPCDKZST-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(I)cc1 ZINC000014153324 555709030 /nfs/dbraw/zinc/70/90/30/555709030.db2.gz TZMUTCDAVRESCV-UHFFFAOYSA-N -1 3 496.301 4.483 40 0 JIABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000011024095 555753946 /nfs/dbraw/zinc/75/39/46/555753946.db2.gz OGAOLOLMINWSED-ZRBLBEILSA-N -1 3 460.461 4.054 40 0 JIABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3[O-])nc2c1 ZINC000014269384 555758886 /nfs/dbraw/zinc/75/88/86/555758886.db2.gz LYCKXNLBZNOICS-UHFFFAOYSA-N -1 3 461.499 4.407 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000017780387 556266611 /nfs/dbraw/zinc/26/66/11/556266611.db2.gz IDSGBPNADCNRLW-DPLHUUCSSA-N -1 3 494.931 4.417 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018008083 556275857 /nfs/dbraw/zinc/27/58/57/556275857.db2.gz QBDDFGGAIVCOHJ-VJBWXMMDSA-N -1 3 464.905 4.408 40 0 JIABHM CCC(CC)C(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013083131 556279091 /nfs/dbraw/zinc/27/90/91/556279091.db2.gz JJUJBKBUKBMNMF-UHFFFAOYSA-N -1 3 464.614 4.415 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000018068445 556283484 /nfs/dbraw/zinc/28/34/84/556283484.db2.gz ANRGEERIOCQUEH-FIXSFTCYSA-N -1 3 494.931 4.417 40 0 JIABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1 ZINC000030859609 556381350 /nfs/dbraw/zinc/38/13/50/556381350.db2.gz NGLBVDMQVDFNQG-UHFFFAOYSA-N -1 3 493.994 4.073 40 0 JIABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000033721404 569631977 /nfs/dbraw/zinc/63/19/77/569631977.db2.gz NZJIXPVRRYTNEC-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000100313194 569757220 /nfs/dbraw/zinc/75/72/20/569757220.db2.gz MWKXMIDDLDEQEP-NVNXTCNLSA-N -1 3 451.704 4.300 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000101129991 569784075 /nfs/dbraw/zinc/78/40/75/569784075.db2.gz NMRMDEFPEGIYCU-VABKMULXSA-N -1 3 474.538 4.246 40 0 JIABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000039758175 569811460 /nfs/dbraw/zinc/81/14/60/569811460.db2.gz IJOUETLEUKXDGI-UHFFFAOYSA-N -1 3 467.566 4.477 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724336 569817471 /nfs/dbraw/zinc/81/74/71/569817471.db2.gz MCLUSCOJDLOQOY-BHIFYINESA-N -1 3 450.878 4.105 40 0 JIABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[n-]c(=O)c32)cc1 ZINC000040399373 569826609 /nfs/dbraw/zinc/82/66/09/569826609.db2.gz LGIYLLWXZWODCP-QGZVFWFLSA-N -1 3 451.914 4.355 40 0 JIABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[n-]c(=O)c32)c(F)c1 ZINC000040399583 569826792 /nfs/dbraw/zinc/82/67/92/569826792.db2.gz BLRYDVFHAPCLAV-LLVKDONJSA-N -1 3 476.295 4.332 40 0 JIABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)c(C)c1 ZINC000040400206 569827414 /nfs/dbraw/zinc/82/74/14/569827414.db2.gz SUOMQBIIONNBEB-OAHLLOKOSA-N -1 3 471.439 4.214 40 0 JIABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)c1 ZINC000222686542 569888534 /nfs/dbraw/zinc/88/85/34/569888534.db2.gz SUHDATVUHPSMDU-IBGZPJMESA-N -1 3 450.560 4.461 40 0 JIABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)c1 ZINC000222734153 569889871 /nfs/dbraw/zinc/88/98/71/569889871.db2.gz NAHSTJMVEOYKFQ-UHFFFAOYSA-N -1 3 490.965 4.200 40 0 JIABHM 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ZINC000408606968 569971408 /nfs/dbraw/zinc/97/14/08/569971408.db2.gz PNIVJIDPLZGFSD-OAQYLSRUSA-N -1 3 493.412 4.208 40 0 JIABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408674713 570009412 /nfs/dbraw/zinc/00/94/12/570009412.db2.gz BMGQNKWAZOSKML-UHFFFAOYSA-N -1 3 458.511 4.351 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(C)c2)cc1 ZINC000408674883 570009669 /nfs/dbraw/zinc/00/96/69/570009669.db2.gz DPKSIMOJOJWOHH-UHFFFAOYSA-N -1 3 460.939 4.475 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(C)c2)cc1 ZINC000408675013 570009840 /nfs/dbraw/zinc/00/98/40/570009840.db2.gz ORZMMRLDKIVDBH-UHFFFAOYSA-N -1 3 476.501 4.490 40 0 JIABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000408682364 570012911 /nfs/dbraw/zinc/01/29/11/570012911.db2.gz XUEFLRRIVPWAHS-OAQYLSRUSA-N -1 3 458.511 4.431 40 0 JIABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000408923024 570077697 /nfs/dbraw/zinc/07/76/97/570077697.db2.gz DRGCFPNXJOSFHW-UHFFFAOYSA-N -1 3 454.548 4.303 40 0 JIABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000408925773 570078446 /nfs/dbraw/zinc/07/84/46/570078446.db2.gz PNZJIFIEBHWPSF-LNKIKWGQSA-N -1 3 456.495 4.296 40 0 JIABHM CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCCN(Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257215473 570112797 /nfs/dbraw/zinc/11/27/97/570112797.db2.gz CQGIQYZZASOLKH-DEJKCJRPSA-N -1 3 453.535 4.137 40 0 JIABHM COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccc(C(C)(C)C)cc4OCC(=O)[O-])[C@@H]32)cc1 ZINC000257337795 570149725 /nfs/dbraw/zinc/14/97/25/570149725.db2.gz YUKRHTAGLHWSIQ-INNMJMHTSA-N -1 3 494.632 4.435 40 0 JIABHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(Br)c1[O-] ZINC000409272076 570189460 /nfs/dbraw/zinc/18/94/60/570189460.db2.gz LJUMVMLESOOUDJ-GIDUJCDVSA-N -1 3 499.289 4.117 40 0 JIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550143 570194821 /nfs/dbraw/zinc/19/48/21/570194821.db2.gz BVTKFEKPSGOBCA-UHFFFAOYSA-N -1 3 473.938 4.360 40 0 JIABHM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408560024 570200174 /nfs/dbraw/zinc/20/01/74/570200174.db2.gz BOOOHNCBWADXBP-UHFFFAOYSA-N -1 3 462.930 4.317 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc2c(c1)OCO2 ZINC000408560851 570200732 /nfs/dbraw/zinc/20/07/32/570200732.db2.gz QJFZCJZHCPLOPS-UHFFFAOYSA-N -1 3 494.447 4.252 40 0 JIABHM CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408582282 570206929 /nfs/dbraw/zinc/20/69/29/570206929.db2.gz CCEOHPVHJFKQCS-UHFFFAOYSA-N -1 3 487.965 4.425 40 0 JIABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C2)[n-]c3=O)c1 ZINC000001333973 194092763 /nfs/dbraw/zinc/09/27/63/194092763.db2.gz AURDASHBNHVTNH-NRFANRHFSA-N -1 3 498.631 4.497 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 ZINC000408635548 195485637 /nfs/dbraw/zinc/48/56/37/195485637.db2.gz DKNLWWSCIHZISM-UHFFFAOYSA-N -1 3 476.938 4.176 40 0 JIABHM O=C(NCc1ccccc1-n1ccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880658 526742837 /nfs/dbraw/zinc/74/28/37/526742837.db2.gz YTHZLWKTZNUIMR-UHFFFAOYSA-N -1 3 466.950 4.257 40 0 JIABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000009082952 554888349 /nfs/dbraw/zinc/88/83/49/554888349.db2.gz MKVKUCLVLAUIQG-VSKRKVRLSA-N -1 3 480.879 4.317 40 0 JIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000020009447 555584895 /nfs/dbraw/zinc/58/48/95/555584895.db2.gz NYSRHEWGNMPFAP-DYESRHJHSA-N -1 3 472.994 4.116 40 0 JIABHM CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000020009748 555585570 /nfs/dbraw/zinc/58/55/70/555585570.db2.gz UMCLCDUOCMEJLS-NRFANRHFSA-N -1 3 488.993 4.276 40 0 JIABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000020020130 555596492 /nfs/dbraw/zinc/59/64/92/555596492.db2.gz UMTBCQPKVLILNY-IBGZPJMESA-N -1 3 468.575 4.369 40 0 JIABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000020020413 555597214 /nfs/dbraw/zinc/59/72/14/555597214.db2.gz LKUSTWDGZKVHOA-MRXNPFEDSA-N -1 3 474.966 4.406 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022353 555599933 /nfs/dbraw/zinc/59/99/33/555599933.db2.gz PHLCBLJARBORGY-UHFFFAOYSA-N -1 3 450.438 4.231 40 0 JIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022482 555599994 /nfs/dbraw/zinc/59/99/94/555599994.db2.gz VEVPDINKVOFPPP-UHFFFAOYSA-N -1 3 468.428 4.370 40 0 JIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)c(C)c1 ZINC000010315282 555682061 /nfs/dbraw/zinc/68/20/61/555682061.db2.gz RNVOFXDSIHNZHF-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1NS(C)(=O)=O ZINC000010328099 555686174 /nfs/dbraw/zinc/68/61/74/555686174.db2.gz MRCVWRXHXAYULF-UHFFFAOYSA-N -1 3 487.603 4.036 40 0 JIABHM Cc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000010331272 555687681 /nfs/dbraw/zinc/68/76/81/555687681.db2.gz SWVPJIAVJPNRCJ-KRWDZBQOSA-N -1 3 451.548 4.110 40 0 JIABHM CC(C)(C)c1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000013083154 556279044 /nfs/dbraw/zinc/27/90/44/556279044.db2.gz FFIZQOXGIJTWEM-UHFFFAOYSA-N -1 3 488.567 4.432 40 0 JIABHM O=C(c1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083645 556280447 /nfs/dbraw/zinc/28/04/47/556280447.db2.gz ZWKJLCCWZQWQFF-OAHLLOKOSA-N -1 3 483.359 4.302 40 0 JIABHM CCC(CC)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083611 556280465 /nfs/dbraw/zinc/28/04/65/556280465.db2.gz QRIGKKQARJVELG-AWEZNQCLSA-N -1 3 477.396 4.424 40 0 JIABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(O)cc1 ZINC000018086538 556285944 /nfs/dbraw/zinc/28/59/44/556285944.db2.gz DJCFEGKCLWXEAB-FKBYEOEOSA-N -1 3 450.878 4.105 40 0 JIABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000018177780 556298302 /nfs/dbraw/zinc/29/83/02/556298302.db2.gz AUPQKCUGFNPISI-VABKMULXSA-N -1 3 464.905 4.414 40 0 JIABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000008582709 562939929 /nfs/dbraw/zinc/93/99/29/562939929.db2.gz OSQXCEIJJICKMP-UHFFFAOYSA-N -1 3 456.978 4.305 40 0 JIABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000101088262 569782183 /nfs/dbraw/zinc/78/21/83/569782183.db2.gz CADHDHHYHAECGR-VABKMULXSA-N -1 3 464.905 4.408 40 0 JIABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C(F)(F)F)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101495577 569800654 /nfs/dbraw/zinc/80/06/54/569800654.db2.gz CKZAHMJDNFJSRR-BHIFYINESA-N -1 3 484.430 4.471 40 0 JIABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000102766225 569823010 /nfs/dbraw/zinc/82/30/10/569823010.db2.gz IDSGBPNADCNRLW-ZFGGDYGUSA-N -1 3 494.931 4.417 40 0 JIABHM C=C(OCCCC)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389027 569824895 /nfs/dbraw/zinc/82/48/95/569824895.db2.gz MLSGEINZNZXCBA-OXJNMPFZSA-N -1 3 479.581 4.001 40 0 JIABHM COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000222686165 569888485 /nfs/dbraw/zinc/88/84/85/569888485.db2.gz NSWMAFGAHSCWGB-UHFFFAOYSA-N -1 3 468.575 4.150 40 0 JIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)cc1NC(=O)C(C)C ZINC000223361220 569908737 /nfs/dbraw/zinc/90/87/37/569908737.db2.gz HJEOGXIMJPTQAP-UHFFFAOYSA-N -1 3 477.652 4.277 40 0 JIABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc2)cc1 ZINC000223555623 569915813 /nfs/dbraw/zinc/91/58/13/569915813.db2.gz UAIUZZSFRXWUHL-FQEVSTJZSA-N -1 3 464.572 4.167 40 0 JIABHM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000224498257 569946382 /nfs/dbraw/zinc/94/63/82/569946382.db2.gz ZVONSGZCPWXBEB-IBGZPJMESA-N -1 3 474.608 4.173 40 0 JIABHM COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)c1 ZINC000408597739 569967611 /nfs/dbraw/zinc/96/76/11/569967611.db2.gz XTBJISNBQAMLNA-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM COc1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(OC)cc1Cl ZINC000408597781 569967696 /nfs/dbraw/zinc/96/76/96/569967696.db2.gz YDSBGLSZPPZWCD-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000408600398 569968524 /nfs/dbraw/zinc/96/85/24/569968524.db2.gz AQEFCAUYIGGROB-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(Cl)c2)cc1 ZINC000408627185 569981017 /nfs/dbraw/zinc/98/10/17/569981017.db2.gz YHHHGXJBRKRGEJ-UHFFFAOYSA-N -1 3 454.976 4.081 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000408635439 569985817 /nfs/dbraw/zinc/98/58/17/569985817.db2.gz BFGRVGZTYMXWRE-MRXNPFEDSA-N -1 3 474.966 4.406 40 0 JIABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000408674594 570009222 /nfs/dbraw/zinc/00/92/22/570009222.db2.gz BTHKDSFSVLWTBB-UHFFFAOYSA-N -1 3 454.548 4.439 40 0 JIABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1OC ZINC000408677167 570010907 /nfs/dbraw/zinc/01/09/07/570010907.db2.gz QIJPZVJYSYPAQR-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C)c(C)c1 ZINC000225639643 570011424 /nfs/dbraw/zinc/01/14/24/570011424.db2.gz LSVDQNMOASIBPX-KRWDZBQOSA-N -1 3 465.000 4.490 40 0 JIABHM COc1ccc(C(=O)CC(=C([O-])c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408689165 570014758 /nfs/dbraw/zinc/01/47/58/570014758.db2.gz XSJXVLCQCHQRPH-XMMPIXPASA-N -1 3 452.528 4.310 40 0 JIABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)N=N2)cc1 ZINC000408717953 570025918 /nfs/dbraw/zinc/02/59/18/570025918.db2.gz QONJLNFIKKBDAO-UHFFFAOYSA-N -1 3 496.589 4.295 40 0 JIABHM CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)c2ccccc12 ZINC000225928213 570028047 /nfs/dbraw/zinc/02/80/47/570028047.db2.gz QSHBBTPDYTVXKT-UHFFFAOYSA-N -1 3 460.502 4.107 40 0 JIABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000408931580 570080116 /nfs/dbraw/zinc/08/01/16/570080116.db2.gz NLWPQEKSOOFUCR-SXGWCWSVSA-N -1 3 477.336 4.147 40 0 JIABHM CCOC(=O)[C@@]12C[C@@H]3[C@@H](O[C@@H]1CCN(Cc1ccc(C(=O)[O-])cc1)C2)c1ccccc1OC3(C)C ZINC000257281654 570133123 /nfs/dbraw/zinc/13/31/23/570133123.db2.gz OQIKEVDHJOOWHH-FFMLRLECSA-N -1 3 479.573 4.457 40 0 JIABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CCN(Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000257315748 570143215 /nfs/dbraw/zinc/14/32/15/570143215.db2.gz VCPKTDKEGFDPLH-XMMPIXPASA-N -1 3 482.596 4.371 40 0 JIABHM CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Br)c([O-])c(OC)c1 ZINC000261364310 570168516 /nfs/dbraw/zinc/16/85/16/570168516.db2.gz KOXYVDTVQVHHOJ-SFHVURJKSA-O -1 3 476.376 4.088 40 0 JIABHM O=C(Oc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1)c1ccccc1I ZINC000409252605 570186220 /nfs/dbraw/zinc/18/62/20/570186220.db2.gz CPAFWXLLDRWMKC-UHFFFAOYSA-N -1 3 468.250 4.414 40 0 JIABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000408530261 570187480 /nfs/dbraw/zinc/18/74/80/570187480.db2.gz JTMHERHHPKPILM-UHFFFAOYSA-N -1 3 452.866 4.437 40 0 JIABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3OC)cc2)cc1Cl ZINC000408562247 570201658 /nfs/dbraw/zinc/20/16/58/570201658.db2.gz YMIQAXGMTDWXDE-UHFFFAOYSA-N -1 3 490.965 4.484 40 0 JIABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1)C(=O)N1CCOCC1 ZINC000408587348 570208303 /nfs/dbraw/zinc/20/83/03/570208303.db2.gz BOGMDXBUOSVHEW-LBPRGKRZSA-N -1 3 493.796 4.074 40 0 JIABHM O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408590334 570208991 /nfs/dbraw/zinc/20/89/91/570208991.db2.gz GBALQGRGUBRARB-LJQANCHMSA-N -1 3 455.407 4.332 40 0 JIABHM COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408591947 570209309 /nfs/dbraw/zinc/20/93/09/570209309.db2.gz MLFPIUWNFMFVHZ-UHFFFAOYSA-N -1 3 488.949 4.253 40 0 JIABHM