smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(-c2ccc(CSCCC(=O)[O-])cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl ZINC000003819448 541108015 /nfs/dbraw/zinc/10/80/15/541108015.db2.gz LLIFMNUXGDHTRO-OAHLLOKOSA-N -1 0 474.966 6.321 50 0 in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000004166079 291568531 /nfs/dbraw/zinc/56/85/31/291568531.db2.gz PGOYMURMZNDHNS-XUIPKYMLSA-N -1 0 472.710 6.206 50 0 biogenic,in-vitro JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000055398672 291598383 /nfs/dbraw/zinc/59/83/83/291598383.db2.gz JXSVIVRDWWRQRT-XHYDTIMOSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM CCOc1ccc(NC(=O)c2c(C)c(-c3ccccc3)sc2NC(=O)CCC(=O)[O-])cc1 ZINC000000708366 193902062 /nfs/dbraw/zinc/90/20/62/193902062.db2.gz NDBQIWXQZIYWIH-UHFFFAOYSA-N -1 0 452.532 5.178 50 0 JKAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccccc1SCc1c(F)cccc1Cl ZINC000001029491 194005409 /nfs/dbraw/zinc/00/54/09/194005409.db2.gz ZYGJUQYMJBITSE-UHFFFAOYSA-N -1 0 483.970 5.569 50 0 JKAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001032429 194006346 /nfs/dbraw/zinc/00/63/46/194006346.db2.gz KLHPKEVAOSUEQB-UHFFFAOYSA-N -1 0 451.470 5.449 50 0 JKAARM O=S(=O)([N-]c1ccc(Oc2ncnc3cc(Cl)ccc32)nc1)c1ccc(-c2ccccn2)s1 ZINC000001033959 194006507 /nfs/dbraw/zinc/00/65/07/194006507.db2.gz GEKHKTBQUKVFNG-UHFFFAOYSA-N -1 0 495.973 5.395 50 0 JKAARM CSc1n[n-]c(NC(=O)c2ccc(Cl)c(Cl)c2)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037456 194007346 /nfs/dbraw/zinc/00/73/46/194007346.db2.gz FGELNAJPWGIPBW-UHFFFAOYSA-N -1 0 476.794 5.177 50 0 JKAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000001044710 194008464 /nfs/dbraw/zinc/00/84/64/194008464.db2.gz VZXTVMJOJATGEN-UHFFFAOYSA-N -1 0 476.520 6.056 50 0 JKAARM CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000001059898 194012374 /nfs/dbraw/zinc/01/23/74/194012374.db2.gz JEEHJXLNGVXJPG-UHFFFAOYSA-N -1 0 461.008 5.732 50 0 JKAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000001062863 194012629 /nfs/dbraw/zinc/01/26/29/194012629.db2.gz MERKRZAPWYVNCC-UHFFFAOYSA-N -1 0 455.750 5.700 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1C ZINC000001076176 194018255 /nfs/dbraw/zinc/01/82/55/194018255.db2.gz JWCKELLNSWIAPT-UHFFFAOYSA-N -1 0 463.386 5.972 50 0 JKAARM Cc1ccc(NC2=C(CC(=O)[O-])[C@@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001065956 194014202 /nfs/dbraw/zinc/01/42/02/194014202.db2.gz BVKYQTFDZDBASS-RUZDIDTESA-N -1 0 491.385 5.995 50 0 JKAARM CC(C)OC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000001082895 194020701 /nfs/dbraw/zinc/02/07/01/194020701.db2.gz LXNJUMBYEUVMGV-GFCCVEGCSA-N -1 0 472.426 5.001 50 0 JKAARM CC[C@@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001118664 194031944 /nfs/dbraw/zinc/03/19/44/194031944.db2.gz HOWHWLVGOWOWGV-VGSWGCGISA-N -1 0 483.663 5.229 50 0 JKAARM O=C(Nc1cccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000001120533 194033584 /nfs/dbraw/zinc/03/35/84/194033584.db2.gz ABQRVHGTYFKGMU-UHFFFAOYSA-N -1 0 453.523 5.441 50 0 JKAARM O=C([O-])CCN1C(=O)c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)cc2C1=O ZINC000001124764 194035343 /nfs/dbraw/zinc/03/53/43/194035343.db2.gz PPPBSHNSOHCWDD-UHFFFAOYSA-N -1 0 499.306 5.109 50 0 JKAARM Cc1ccccc1N1C(=O)[N-]C(=O)[C@](CCc2ccccn2)(Cc2c(Cl)cccc2Cl)C1=O ZINC000001128945 194037976 /nfs/dbraw/zinc/03/79/76/194037976.db2.gz AYGFEUPBGIRWGP-VWLOTQADSA-N -1 0 482.367 5.142 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000001140534 194044387 /nfs/dbraw/zinc/04/43/87/194044387.db2.gz MGKUZHCQQOEGJD-UHFFFAOYSA-N -1 0 491.034 5.579 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000001175980 194061888 /nfs/dbraw/zinc/06/18/88/194061888.db2.gz INKBYUGUWKEXJF-WQRHYEAKSA-N -1 0 483.307 5.785 50 0 JKAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000001267231 194081151 /nfs/dbraw/zinc/08/11/51/194081151.db2.gz MKAIMXJXSJTVFM-UHFFFAOYSA-N -1 0 452.260 5.049 50 0 JKAARM CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001277856 194081395 /nfs/dbraw/zinc/08/13/95/194081395.db2.gz JQIQZZULVDDAMS-MHZLTWQESA-N -1 0 474.601 6.641 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001388535 194113862 /nfs/dbraw/zinc/11/38/62/194113862.db2.gz IODFOINJXQXYHE-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000001391911 194114238 /nfs/dbraw/zinc/11/42/38/194114238.db2.gz XIQNMPBVZBZIAP-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 aggregator JKAARM COc1ccc(N2C(=O)c3ccc(Oc4ccc(Oc5ccc(C(=O)[O-])cc5)cc4)cc3C2=O)cc1 ZINC000001505906 194126234 /nfs/dbraw/zinc/12/62/34/194126234.db2.gz GGMSSXUZFVZTKX-UHFFFAOYSA-N -1 0 481.460 5.779 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)nc(C)n1 ZINC000001516922 194127271 /nfs/dbraw/zinc/12/72/71/194127271.db2.gz QHHUQMAHZVYBPZ-UHFFFAOYSA-N -1 0 472.979 5.015 50 0 JKAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000001549989 194127728 /nfs/dbraw/zinc/12/77/28/194127728.db2.gz YDBLKRPLXZNVNB-UHFFFAOYSA-N -1 0 453.507 6.201 50 0 investigational JKAARM COc1ccc([N-]C(=S)Oc2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1 ZINC000001444642 194122216 /nfs/dbraw/zinc/12/22/16/194122216.db2.gz SKXKSUABEUIVPE-UHFFFAOYSA-N -1 0 457.349 5.486 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=S)[N-]c2ccc(Br)cc2)cc1 ZINC000001444694 194122305 /nfs/dbraw/zinc/12/23/05/194122305.db2.gz FDJVLZIFNJHCMJ-UHFFFAOYSA-N -1 0 461.768 6.131 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001776153 194138040 /nfs/dbraw/zinc/13/80/40/194138040.db2.gz UWPZHDGCPLJNQF-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001920178 194155662 /nfs/dbraw/zinc/15/56/62/194155662.db2.gz QDLNCDXRGPFFTQ-UHFFFAOYSA-N -1 0 490.195 6.353 50 0 JKAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002211679 194158256 /nfs/dbraw/zinc/15/82/56/194158256.db2.gz QHTLEEMQLOJYSR-OAHLLOKOSA-N -1 0 477.611 5.973 50 0 JKAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)N[C@H]4CCCC[C@H]4C)cc3)c(=O)c2cc1OCC ZINC000003010224 194203602 /nfs/dbraw/zinc/20/36/02/194203602.db2.gz QSZALDLUHGOTMI-UTKZUKDTSA-N -1 0 495.645 5.213 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000002986407 194195492 /nfs/dbraw/zinc/19/54/92/194195492.db2.gz QBIOKOMMMVOAFL-UHFFFAOYSA-N -1 0 477.007 5.189 50 0 JKAARM Cc1ccc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000003035635 194214146 /nfs/dbraw/zinc/21/41/46/194214146.db2.gz XZMVTHZBIPQEHE-UHFFFAOYSA-N -1 0 483.431 6.163 50 0 JKAARM Cc1cc(C)cc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000003037325 194214288 /nfs/dbraw/zinc/21/42/88/194214288.db2.gz GADSKCMLYFTCBM-UHFFFAOYSA-N -1 0 483.431 6.163 50 0 JKAARM COc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000003037346 194214503 /nfs/dbraw/zinc/21/45/03/194214503.db2.gz XNADYNRIGIOCJT-UHFFFAOYSA-N -1 0 475.397 6.099 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000003133398 194230044 /nfs/dbraw/zinc/23/00/44/194230044.db2.gz GDQZXLYBWFZALW-UHFFFAOYSA-N -1 0 455.967 5.164 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000003133401 194230066 /nfs/dbraw/zinc/23/00/66/194230066.db2.gz KVDNMOLMIIIGBB-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 JKAARM Cc1nc2c(cc(C)c(C)c2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1Cc1cccc(C)c1 ZINC000003133391 194230129 /nfs/dbraw/zinc/23/01/29/194230129.db2.gz BHDZOHCXLRUXOE-UHFFFAOYSA-N -1 0 453.995 5.772 50 0 JKAARM O=C([O-])c1cccc(Oc2ccc(Oc3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2)c1 ZINC000003144058 194231674 /nfs/dbraw/zinc/23/16/74/194231674.db2.gz ZDTGIQYQWRFVRH-UHFFFAOYSA-N -1 0 452.422 5.165 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c(Br)c1 ZINC000003169316 194233319 /nfs/dbraw/zinc/23/33/19/194233319.db2.gz VKPXTOCRYLWGIV-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC000003190272 194236704 /nfs/dbraw/zinc/23/67/04/194236704.db2.gz GRPPLTVZUQVNQK-OAQYLSRUSA-N -1 0 494.503 8.179 50 0 JKAARM O=C(Nc1cccc(OC(F)F)c1)c1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000003188896 194236721 /nfs/dbraw/zinc/23/67/21/194236721.db2.gz NPLNGKVWXSJPCI-UHFFFAOYSA-N -1 0 486.418 5.360 50 0 JKAARM O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003207488 194239205 /nfs/dbraw/zinc/23/92/05/194239205.db2.gz CWPXGSNPBSXVPD-UHFFFAOYSA-N -1 0 457.285 5.325 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000003299579 194271928 /nfs/dbraw/zinc/27/19/28/194271928.db2.gz IZFCJVXZRWHSER-UHFFFAOYSA-N -1 0 489.391 5.209 50 0 aggregator JKAARM O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)cc1Cl ZINC000003307015 194275170 /nfs/dbraw/zinc/27/51/70/194275170.db2.gz VYDSCGWHMUQLHO-UHFFFAOYSA-N -1 0 479.360 5.674 50 0 JKAARM Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000003293409 194268572 /nfs/dbraw/zinc/26/85/72/194268572.db2.gz VOMXZOJPVVRUSP-OAQYLSRUSA-N -1 0 465.340 5.839 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Br)s1 ZINC000003328275 194284257 /nfs/dbraw/zinc/28/42/57/194284257.db2.gz QQWQNCKNVVTQGW-UHFFFAOYSA-N -1 0 495.811 5.652 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc2ccccc21)c1ccc(Cl)s1 ZINC000003328327 194284271 /nfs/dbraw/zinc/28/42/71/194284271.db2.gz VDRQGMHMFPEUDS-UHFFFAOYSA-N -1 0 466.975 6.042 50 0 JKAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc(Cl)ccc1Cl ZINC000003343793 194291810 /nfs/dbraw/zinc/29/18/10/194291810.db2.gz HTXVAISBWYBARE-UHFFFAOYSA-N -1 0 453.313 5.803 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003367931 194304237 /nfs/dbraw/zinc/30/42/37/194304237.db2.gz KWYYAPXXDBEHNR-UHFFFAOYSA-N -1 0 454.310 5.577 50 0 JKAARM COc1cc2c(cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)oc1ccccc12 ZINC000003515949 194334585 /nfs/dbraw/zinc/33/45/85/194334585.db2.gz RCJADOCLXOREEN-UHFFFAOYSA-N -1 0 478.551 5.709 50 0 JKAARM COC(=O)[C@]([N-]c1cccc(C)c1Cl)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003619698 194341672 /nfs/dbraw/zinc/34/16/72/194341672.db2.gz GXTXXLGHRWRHOC-KRWDZBQOSA-N -1 0 499.795 5.212 50 0 JKAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000003653366 194350897 /nfs/dbraw/zinc/35/08/97/194350897.db2.gz OEBMLFSGOGOXPG-NRFANRHFSA-N -1 0 476.945 5.686 50 0 JKAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003671067 194358522 /nfs/dbraw/zinc/35/85/22/194358522.db2.gz ZWBXTJCIFAJSLD-XQOSCOKLSA-N -1 0 459.501 6.133 50 0 JKAARM CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003789437 194361548 /nfs/dbraw/zinc/36/15/48/194361548.db2.gz IEKOTSCYBBDIJC-IBGZPJMESA-N -1 0 459.414 5.166 50 0 world JKAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000003882111 194366641 /nfs/dbraw/zinc/36/66/41/194366641.db2.gz SHMQLCFNRHPQHR-GMAHTHKFSA-N -1 0 471.900 5.002 50 0 biogenic JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000003941105 194366871 /nfs/dbraw/zinc/36/68/71/194366871.db2.gz WCGUUGGRBIKTOS-RIRGMOJXSA-N -1 0 456.711 7.090 50 0 biogenic,in-vitro JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000003978827 194368145 /nfs/dbraw/zinc/36/81/45/194368145.db2.gz WCGUUGGRBIKTOS-GPOJBZKASA-N -1 0 456.711 7.090 50 0 endogenous,in-man JKAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000004112640 194379831 /nfs/dbraw/zinc/37/98/31/194379831.db2.gz MJDPNQCBCPLHFV-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000004349900 194388142 /nfs/dbraw/zinc/38/81/42/194388142.db2.gz KLHSKTMVSOWVLD-WPDRYGPBSA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM C[C@@H](c1ccco1)N(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000004403497 194389065 /nfs/dbraw/zinc/38/90/65/194389065.db2.gz WURMTYWJGXZFCH-KRWDZBQOSA-N -1 0 481.961 5.537 50 0 JKAARM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@H]2C(=O)Nc1sc(C)c(-c2ccc(C(C)C)cc2)c1C(N)=O ZINC000004443024 194390098 /nfs/dbraw/zinc/39/00/98/194390098.db2.gz IIMCIONEANYPFY-UDKICSLYSA-N -1 0 480.630 5.578 50 0 JKAARM O=C([O-])CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009288509 194663743 /nfs/dbraw/zinc/66/37/43/194663743.db2.gz HFBAJRLMJHFAFC-QHCPKHFHSA-N -1 0 451.309 5.772 50 0 JKAARM O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 ZINC000009323617 194691737 /nfs/dbraw/zinc/69/17/37/194691737.db2.gz MWRQVOZRHYJWAL-UDWIEESQSA-N -1 0 483.307 5.368 50 0 JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@H](c4cccs4)C3)c(-c3ccccc3)c2c1 ZINC000009427746 194769262 /nfs/dbraw/zinc/76/92/62/194769262.db2.gz JUESWOGYRKVZQF-NRFANRHFSA-N -1 0 485.565 5.108 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)Nc1ccccc1-2 ZINC000009601818 194804599 /nfs/dbraw/zinc/80/45/99/194804599.db2.gz KHQWOWAUIWOZET-QHCPKHFHSA-N -1 0 496.589 5.186 50 0 JKAARM Cc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)c(Br)c1 ZINC000009611656 194816630 /nfs/dbraw/zinc/81/66/30/194816630.db2.gz HOTKWWAUBCEXGT-UHFFFAOYSA-N -1 0 485.403 5.614 50 0 JKAARM Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C(=O)[O-])cc4)n2)Cc2cc(C)ccc2O3)cc1 ZINC000009859769 195000456 /nfs/dbraw/zinc/00/04/56/195000456.db2.gz QOASLYQKPDZRCD-UHFFFAOYSA-N -1 0 497.576 5.886 50 0 JKAARM COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1OCc1ccc(Cl)cc1 ZINC000009892663 195016623 /nfs/dbraw/zinc/01/66/23/195016623.db2.gz JGUUEPRKVINMME-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM Cc1cc(C)cc(NC(=S)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000012621099 195056793 /nfs/dbraw/zinc/05/67/93/195056793.db2.gz FQMRNWXBVCPCMC-UHFFFAOYSA-N -1 0 480.442 6.220 50 0 JKAARM Cc1nc2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)ccc2o1 ZINC000012730423 195098351 /nfs/dbraw/zinc/09/83/51/195098351.db2.gz JUWPFMRRVLXFNF-UHFFFAOYSA-N -1 0 476.341 5.496 50 0 JKAARM Cc1ccc(C)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1 ZINC000012742899 195101315 /nfs/dbraw/zinc/10/13/15/195101315.db2.gz UIVQDVDIJJICAH-UHFFFAOYSA-N -1 0 463.386 5.592 50 0 JKAARM O=C1CCCN1c1ccc(NCc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)cc1 ZINC000012739637 195100559 /nfs/dbraw/zinc/10/05/59/195100559.db2.gz VXQBGHCOODDELG-UHFFFAOYSA-N -1 0 450.951 5.044 50 0 JKAARM O=c1nc(CSc2nnc(NC[C@H]3CCCO3)s2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000012791939 195132825 /nfs/dbraw/zinc/13/28/25/195132825.db2.gz ZQYQLZDNTPTFBK-CYBMUJFWSA-N -1 0 492.051 5.452 50 0 JKAARM O=C([O-])c1sc2cccc(F)c2c1CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000012852178 195155293 /nfs/dbraw/zinc/15/52/93/195155293.db2.gz UGXSFSRADFTIHZ-UHFFFAOYSA-N -1 0 487.647 6.780 50 0 JKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 ZINC000020604711 195180591 /nfs/dbraw/zinc/18/05/91/195180591.db2.gz WNDYLUHJPDPVBX-UHFFFAOYSA-N -1 0 455.480 5.914 50 0 JKAARM Cc1ccc(Cl)c(OCc2cccc(C(=O)Nc3ccc(-n4ccc(C(=O)[O-])n4)cc3)c2)c1 ZINC000020608072 195181814 /nfs/dbraw/zinc/18/18/14/195181814.db2.gz NQERVFYGRFUPNY-UHFFFAOYSA-N -1 0 461.905 5.364 50 0 JKAARM CCOc1cccc2cc(C(=O)NCc3cccc(Cl)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616714 195188324 /nfs/dbraw/zinc/18/83/24/195188324.db2.gz KTRPBMDXNHKAKA-GNVQSUKOSA-N -1 0 476.916 5.346 50 0 JKAARM COc1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000020616722 195188462 /nfs/dbraw/zinc/18/84/62/195188462.db2.gz YRPBHTYYDZXDDR-WMMMYUQOSA-N -1 0 482.414 5.643 50 0 JKAARM COc1cc(Cl)c(C)cc1NC(=S)N(Cc1ccccc1C)CC1CCC(C(=O)[O-])CC1 ZINC000020679340 195203366 /nfs/dbraw/zinc/20/33/66/195203366.db2.gz DEEKFEBYWSOPPL-UHFFFAOYSA-N -1 0 475.054 6.055 50 0 JKAARM CCc1cccc(C)c1NC(=S)N(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000020679347 195203421 /nfs/dbraw/zinc/20/34/21/195203421.db2.gz JWBRMESKSNUJPN-UHFFFAOYSA-N -1 0 453.007 6.308 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000021149599 195282177 /nfs/dbraw/zinc/28/21/77/195282177.db2.gz BKEXTKDQLLWLLE-UHFFFAOYSA-N -1 0 480.476 5.651 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1Cl ZINC000021357458 195297856 /nfs/dbraw/zinc/29/78/56/195297856.db2.gz ABMFHDUMQHINRI-UHFFFAOYSA-N -1 0 488.012 6.265 50 0 JKAARM CCCn1c(CCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc2ccccc21 ZINC000021357448 195297892 /nfs/dbraw/zinc/29/78/92/195297892.db2.gz POMLDPWRGHOIIM-UHFFFAOYSA-N -1 0 490.629 5.299 50 0 JKAARM CCOC(=O)c1cc(C(=O)[O-])cc(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1 ZINC000096258757 130003335 /nfs/dbraw/zinc/00/33/35/130003335.db2.gz FRIZXCDNVZTGHS-FSJBWODESA-N -1 0 457.280 5.030 50 0 JKAARM C[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000102894472 130376723 /nfs/dbraw/zinc/37/67/23/130376723.db2.gz UHJGTBYSGKAYCJ-YVEFUNNKSA-N -1 0 463.390 5.885 50 0 JKAARM C[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000102894470 130376752 /nfs/dbraw/zinc/37/67/52/130376752.db2.gz UHJGTBYSGKAYCJ-SJKOYZFVSA-N -1 0 463.390 5.885 50 0 JKAARM C[C@@H]1C[C@@H](C)CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000102894264 130376890 /nfs/dbraw/zinc/37/68/90/130376890.db2.gz SSPJSNKQBGSNTM-HBUWYVDXSA-N -1 0 487.423 5.586 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)cc1 ZINC000065008797 518386589 /nfs/dbraw/zinc/38/65/89/518386589.db2.gz YRAYLHREAVOZES-UHFFFAOYSA-N -1 0 469.563 5.267 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc1 ZINC000065008643 518386861 /nfs/dbraw/zinc/38/68/61/518386861.db2.gz CFUHXWPYAUQXEE-UHFFFAOYSA-N -1 0 451.573 5.127 50 0 JKAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)n1 ZINC000033297777 519077916 /nfs/dbraw/zinc/07/79/16/519077916.db2.gz GGLUJMSRLWKTAK-UHFFFAOYSA-N -1 0 475.430 5.872 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000014089753 519757062 /nfs/dbraw/zinc/75/70/62/519757062.db2.gz YJBVHJIKNLBFDX-WEJYUMJGSA-N -1 0 498.748 7.660 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260684 519915201 /nfs/dbraw/zinc/91/52/01/519915201.db2.gz VDNRLUSIKFOCFX-UHFFFAOYSA-N -1 0 460.578 5.005 50 0 JKAARM CCOc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc(OCC)c1OCC ZINC000012411419 520666184 /nfs/dbraw/zinc/66/61/84/520666184.db2.gz YMJIJUXVNJPZKI-QFIPXVFZSA-N -1 0 485.577 5.150 50 0 JKAARM CCOC(=O)CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053682 520676180 /nfs/dbraw/zinc/67/61/80/520676180.db2.gz NSGMZAUUYYGSGI-UHFFFAOYSA-N -1 0 480.948 5.250 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCCCCC1 ZINC000003357158 520863883 /nfs/dbraw/zinc/86/38/83/520863883.db2.gz QIQMBVKEGKDJAT-UHFFFAOYSA-N -1 0 487.847 5.682 50 0 JKAARM CCN(CCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053674 520995866 /nfs/dbraw/zinc/99/58/66/520995866.db2.gz UHUFJRPJVNWVQL-UHFFFAOYSA-N -1 0 464.581 6.209 50 0 JKAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852024 521033495 /nfs/dbraw/zinc/03/34/95/521033495.db2.gz JMKASTMVYUQVHN-QGZVFWFLSA-N -1 0 473.396 5.340 50 0 JKAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000022852022 521035863 /nfs/dbraw/zinc/03/58/63/521035863.db2.gz JMKASTMVYUQVHN-KRWDZBQOSA-N -1 0 473.396 5.340 50 0 JKAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002112849 521076726 /nfs/dbraw/zinc/07/67/26/521076726.db2.gz LWNFZRHEJRSYIM-JOCHJYFZSA-N -1 0 475.541 5.515 50 0 biogenic JKAARM CCOc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000013347504 521101163 /nfs/dbraw/zinc/10/11/63/521101163.db2.gz ZMLVHNNJWSWUON-UHFFFAOYSA-N -1 0 482.587 5.448 50 0 JKAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(=O)CC)cc2)c1 ZINC000033297954 521170513 /nfs/dbraw/zinc/17/05/13/521170513.db2.gz SFSJCBNDRGNQQW-UVTDQMKNSA-N -1 0 499.589 5.100 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1 ZINC000033306489 521195680 /nfs/dbraw/zinc/19/56/80/521195680.db2.gz XGIHMQFTIDUFBI-VQHVLOKHSA-N -1 0 485.509 5.383 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000021882710 521204397 /nfs/dbraw/zinc/20/43/97/521204397.db2.gz MVCUTMMBNBXWBB-GOSISDBHSA-N -1 0 485.997 5.064 50 0 JKAARM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000033122351 521338479 /nfs/dbraw/zinc/33/84/79/521338479.db2.gz ZPHPXCMBUNYBLA-UHFFFAOYSA-N -1 0 480.040 5.052 50 0 JKAARM CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000004642538 521363363 /nfs/dbraw/zinc/36/33/63/521363363.db2.gz BENYRYORYAQQHU-MRXNPFEDSA-N -1 0 453.629 6.989 50 0 JKAARM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccs4)c4ccccc34)c2C1 ZINC000004642539 521367244 /nfs/dbraw/zinc/36/72/44/521367244.db2.gz BENYRYORYAQQHU-INIZCTEOSA-N -1 0 453.629 6.989 50 0 JKAARM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3ccccc3c1)c1ccccc21 ZINC000002060569 521402981 /nfs/dbraw/zinc/40/29/81/521402981.db2.gz XHBCSXXOFIKOBI-UHFFFAOYSA-N -1 0 459.523 6.025 50 0 JKAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)sc(C)c1-c1ccccc1 ZINC000008648253 521413320 /nfs/dbraw/zinc/41/33/20/521413320.db2.gz CUEZFIHPMBKTOA-UHFFFAOYSA-N -1 0 469.506 5.720 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065098003 521553162 /nfs/dbraw/zinc/55/31/62/521553162.db2.gz ITBLOJZMHYCHGJ-UHFFFAOYSA-N -1 0 461.952 5.318 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010691 521553523 /nfs/dbraw/zinc/55/35/23/521553523.db2.gz QILKNIIBIFESER-UHFFFAOYSA-N -1 0 470.591 5.184 50 0 JKAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1CSc1ccc(Cl)cc1 ZINC000002327823 521572656 /nfs/dbraw/zinc/57/26/56/521572656.db2.gz DGCFWSYXSIRFRK-UHFFFAOYSA-N -1 0 456.980 5.952 50 0 JKAARM CCCN(CC(=O)c1c(=O)n(-c2ccc(Cl)cc2)[n-]c1C(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000033555575 521575459 /nfs/dbraw/zinc/57/54/59/521575459.db2.gz VXIOPJLADQNOAG-UHFFFAOYSA-N -1 0 496.051 6.387 50 0 JKAARM CCCN(CC(=O)c1c(=O)n(-c2ccc(Cl)cc2)[n-]c1-c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000033545992 521575556 /nfs/dbraw/zinc/57/55/56/521575556.db2.gz IXSAOYGSGUBOLN-UHFFFAOYSA-N -1 0 491.950 5.773 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OCc2ccccc2)C1 ZINC000033575872 521730172 /nfs/dbraw/zinc/73/01/72/521730172.db2.gz VAQQNZFDQXFGGC-JWGURIENSA-N -1 0 450.538 5.888 50 0 JKAARM COC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 ZINC000020395053 521767637 /nfs/dbraw/zinc/76/76/37/521767637.db2.gz XASCAWRZQVFJSP-RBUKOAKNSA-N -1 0 455.576 5.513 50 0 JKAARM COC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 ZINC000020395047 521768009 /nfs/dbraw/zinc/76/80/09/521768009.db2.gz XASCAWRZQVFJSP-OALUTQOASA-N -1 0 455.576 5.513 50 0 JKAARM COC(=O)c1c2c(sc1[N-]C(NC(=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F)CCCC2 ZINC000012417736 521774745 /nfs/dbraw/zinc/77/47/45/521774745.db2.gz OFYNQDFUHAMBPL-UHFFFAOYSA-N -1 0 494.457 5.005 50 0 JKAARM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000009431799 521787346 /nfs/dbraw/zinc/78/73/46/521787346.db2.gz CBZDGPNAMGWLOY-UHFFFAOYSA-N -1 0 466.950 5.801 50 0 JKAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000033547207 521921910 /nfs/dbraw/zinc/92/19/10/521921910.db2.gz HUUXXQZELANUOR-PDGQHHTCSA-N -1 0 465.958 6.553 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012414315 522434348 /nfs/dbraw/zinc/43/43/48/522434348.db2.gz GKUHRQJKBYWGEN-UHFFFAOYSA-N -1 0 466.378 5.073 50 0 JKAARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854725 522536829 /nfs/dbraw/zinc/53/68/29/522536829.db2.gz UBFVTSQPICMNPL-DEOSSOPVSA-N -1 0 475.662 5.089 50 0 JKAARM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000012525923 523449054 /nfs/dbraw/zinc/44/90/54/523449054.db2.gz MKWJRMCJBJQFAN-FQEVSTJZSA-N -1 0 470.616 5.016 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)sc1C ZINC000046141533 523843906 /nfs/dbraw/zinc/84/39/06/523843906.db2.gz UBPAOTZDUAAKSH-UHFFFAOYSA-N -1 0 459.524 5.030 50 0 JKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(Br)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492363 523852237 /nfs/dbraw/zinc/85/22/37/523852237.db2.gz WNRQNYTWAWLNJT-UHFFFAOYSA-N -1 0 452.308 5.324 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)c1 ZINC000017206937 524197385 /nfs/dbraw/zinc/19/73/85/524197385.db2.gz GTXGDEFDTFRVIC-UHFFFAOYSA-N -1 0 456.930 5.584 50 0 JKAARM Cc1ccc(C)c([C@@H]2C[C@@H]([C@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000014944351 524206264 /nfs/dbraw/zinc/20/62/64/524206264.db2.gz IMXDIIJFEQFWHF-GQOCTPOGSA-N -1 0 464.403 6.884 50 0 JKAARM Cc1ccc(C)c([C@@H]2C[C@@H](c3cccc(Cl)c3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000012447159 524207350 /nfs/dbraw/zinc/20/73/50/524207350.db2.gz XMXROKNHORCLNN-UGKGYDQZSA-N -1 0 470.794 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/nfs/dbraw/zinc/65/20/51/527652051.db2.gz PENQOTJCVODUQU-NDEPHWFRSA-N -1 0 463.533 5.810 50 0 JKAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627184 553714932 /nfs/dbraw/zinc/71/49/32/553714932.db2.gz DTPCNUHGVJIIKP-MOPGFXCFSA-N -1 0 476.404 5.150 50 0 JKAARM CCOC(=O)c1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])cc1 ZINC000000641030 553723770 /nfs/dbraw/zinc/72/37/70/553723770.db2.gz ZHXLEECKZWQMOB-UHFFFAOYSA-N -1 0 451.089 5.427 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1C ZINC000000656880 553736905 /nfs/dbraw/zinc/73/69/05/553736905.db2.gz FXPNDQQBSGQVQL-UHFFFAOYSA-N -1 0 475.979 5.521 50 0 JKAARM COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000000661702 553739948 /nfs/dbraw/zinc/73/99/48/553739948.db2.gz ZGKVVYVEEOUDNJ-MOSHPQCFSA-N -1 0 467.591 5.299 50 0 JKAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Br ZINC000000675307 553749260 /nfs/dbraw/zinc/74/92/60/553749260.db2.gz CWMXDKIBTSSKKT-UHFFFAOYSA-N -1 0 494.436 5.256 50 0 JKAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000000710100 553766171 /nfs/dbraw/zinc/76/61/71/553766171.db2.gz PUTYSOGDEGUMTO-SANMLTNESA-N -1 0 494.551 5.090 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(Br)cc21 ZINC000000934738 553873200 /nfs/dbraw/zinc/87/32/00/553873200.db2.gz OVMMSDDPVAPHFY-UHFFFAOYSA-N -1 0 473.120 6.385 50 0 JKAARM Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000000956464 553884293 /nfs/dbraw/zinc/88/42/93/553884293.db2.gz DTUUGTHFPJLAHI-JOCHJYFZSA-N -1 0 467.352 5.589 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000001226924 553936366 /nfs/dbraw/zinc/93/63/66/553936366.db2.gz SALJUBIPQUWIMY-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc32)N(c2cccc3ccccc32)C(=O)N1CC(=O)[O-] ZINC000001231968 553936428 /nfs/dbraw/zinc/93/64/28/553936428.db2.gz RGQBKWDXGZGQTF-RUZDIDTESA-N -1 0 498.539 5.348 50 0 JKAARM COc1cc(-n2c(CCc3nc(-c4ccc(Cl)cc4)no3)n[n-]c2=S)c(OC)cc1Cl ZINC000001573951 553978873 /nfs/dbraw/zinc/97/88/73/553978873.db2.gz CQNKSAXDSRQCOK-UHFFFAOYSA-N -1 0 478.361 5.089 50 0 JKAARM O=C(Nc1cc(Cl)ccc1Oc1ccc(Cl)c2ccccc12)c1cc(Cl)cc(Cl)c1[O-] ZINC000001919973 554004858 /nfs/dbraw/zinc/00/48/58/554004858.db2.gz TWQMBIJACCJZFB-UHFFFAOYSA-N -1 0 493.173 8.204 50 0 JKAARM CC(C)(C)CC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000001995174 554008562 /nfs/dbraw/zinc/00/85/62/554008562.db2.gz CJMDDRXHXPXLMJ-UHFFFAOYSA-N -1 0 474.622 8.672 50 0 JKAARM CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000002073895 554023268 /nfs/dbraw/zinc/02/32/68/554023268.db2.gz QXGFDTNXNJJRGF-GQUXDKRHSA-N -1 0 474.538 5.357 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1)occ3-c1ccccc1 ZINC000002105587 554046145 /nfs/dbraw/zinc/04/61/45/554046145.db2.gz MCJKXFLKXWDTHJ-HHHXNRCGSA-N -1 0 481.504 5.389 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1)occ3-c1ccccc1 ZINC000002105585 554046157 /nfs/dbraw/zinc/04/61/57/554046157.db2.gz MCJKXFLKXWDTHJ-MHZLTWQESA-N -1 0 481.504 5.389 50 0 biogenic JKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002114630 554052790 /nfs/dbraw/zinc/05/27/90/554052790.db2.gz FKJUQAXEVYGQLX-UHFFFAOYSA-N -1 0 493.943 5.342 50 0 biogenic JKAARM CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000002116997 554053749 /nfs/dbraw/zinc/05/37/49/554053749.db2.gz BVACTJGUOIHHLY-WQRHYEAKSA-N -1 0 461.923 5.072 50 0 JKAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002117275 554053867 /nfs/dbraw/zinc/05/38/67/554053867.db2.gz IWEFOQSBSSKWFI-OAQYLSRUSA-N -1 0 481.932 5.470 50 0 biogenic JKAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002118143 554054291 /nfs/dbraw/zinc/05/42/91/554054291.db2.gz HJKBOERIDJKGHW-HSZRJFAPSA-N -1 0 489.568 5.824 50 0 biogenic JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002123897 554057407 /nfs/dbraw/zinc/05/74/07/554057407.db2.gz PLCQFHMTOTVIMM-QHCPKHFHSA-N -1 0 475.541 5.328 50 0 biogenic JKAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002123687 554057457 /nfs/dbraw/zinc/05/74/57/554057457.db2.gz QPZDTKKDUPVARU-OAQYLSRUSA-N -1 0 461.514 5.043 50 0 biogenic JKAARM O=c1[nH]c(=S)[n-]c2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCc1sccc1-3 ZINC000002150659 554069350 /nfs/dbraw/zinc/06/93/50/554069350.db2.gz BQDFDRIPBWPDNV-UHFFFAOYSA-N -1 0 454.001 6.343 50 0 JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12 ZINC000002159826 554074013 /nfs/dbraw/zinc/07/40/13/554074013.db2.gz ZSHKRMKTZYJSTJ-FQEVSTJZSA-N -1 0 455.551 5.002 50 0 biogenic JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002160307 554074076 /nfs/dbraw/zinc/07/40/76/554074076.db2.gz ALCRLVQDCOUCDC-UHFFFAOYSA-N -1 0 481.589 5.393 50 0 biogenic JKAARM O=C1S/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000002162053 554074745 /nfs/dbraw/zinc/07/47/45/554074745.db2.gz RRZNJECPGVVFTD-NSIKDUERSA-N -1 0 459.148 5.698 50 0 JKAARM CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O ZINC000002164312 554075176 /nfs/dbraw/zinc/07/51/76/554075176.db2.gz SLAOLYSGSYNANU-KGENOOAVSA-N -1 0 475.522 5.497 50 0 JKAARM O=C1S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000002165122 554075484 /nfs/dbraw/zinc/07/54/84/554075484.db2.gz BBLJRHNNINEPFV-MLPAPPSSSA-N -1 0 489.572 5.812 50 0 JKAARM CCOC(=O)c1c2cc(O)c(Br)cc2n(Cc2ccccc2)c1CSc1ccccc1 ZINC000002202065 554091301 /nfs/dbraw/zinc/09/13/01/554091301.db2.gz BFYFHPIXFIGYMZ-UHFFFAOYSA-N -1 0 496.426 6.627 50 0 JKAARM CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1 ZINC000002215634 554097945 /nfs/dbraw/zinc/09/79/45/554097945.db2.gz VZRMYLFBQMIWGN-UHFFFAOYSA-N -1 0 467.319 6.002 50 0 JKAARM COc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1Cl ZINC000002220772 554100689 /nfs/dbraw/zinc/10/06/89/554100689.db2.gz RHRSAUNLRVCYQG-UHFFFAOYSA-N -1 0 473.710 5.877 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 ZINC000002243710 554110531 /nfs/dbraw/zinc/11/05/31/554110531.db2.gz GVCLAQFMSVKNKH-JOCHJYFZSA-N -1 0 466.331 5.504 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(Br)s1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243702 554110588 /nfs/dbraw/zinc/11/05/88/554110588.db2.gz ABNLVFDGUSJGFG-LJQANCHMSA-N -1 0 472.360 5.045 50 0 JKAARM CCc1c(C)sc([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1C(=O)OC ZINC000002251550 554115546 /nfs/dbraw/zinc/11/55/46/554115546.db2.gz XANQKRQHDJAFFT-UHFFFAOYSA-N -1 0 468.419 5.068 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000002254591 554117713 /nfs/dbraw/zinc/11/77/13/554117713.db2.gz IFEUZYWWGZZVSA-UHFFFAOYSA-N -1 0 455.750 5.700 50 0 JKAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000002290390 554134621 /nfs/dbraw/zinc/13/46/21/554134621.db2.gz VKZCGWVVCJMXDN-UHFFFAOYSA-N -1 0 483.593 6.345 50 0 JKAARM Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c1-2 ZINC000002290491 554135053 /nfs/dbraw/zinc/13/50/53/554135053.db2.gz QZJOPTKIWBQOPS-QLYXXIJNSA-N -1 0 495.655 5.269 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000002294115 554136895 /nfs/dbraw/zinc/13/68/95/554136895.db2.gz WJDAGZFMSFJJBM-UHFFFAOYSA-N -1 0 476.892 5.429 50 0 JKAARM Cc1ccc(C(C)C)cc1Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000002300610 554139332 /nfs/dbraw/zinc/13/93/32/554139332.db2.gz NFSRDVCPPZZGKG-UHFFFAOYSA-N -1 0 464.776 7.829 50 0 JKAARM CCCCn1c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c2nc3ccccc3nc21 ZINC000002307752 554142582 /nfs/dbraw/zinc/14/25/82/554142582.db2.gz DDBBTBYYNVHAHR-UHFFFAOYSA-N -1 0 486.981 5.016 50 0 JKAARM Cc1cc(Br)ccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002349481 554160754 /nfs/dbraw/zinc/16/07/54/554160754.db2.gz SGKPPFBTBLXLFL-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM COc1ccc([C@H]2C(CC(=O)[O-])=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000002349969 554161098 /nfs/dbraw/zinc/16/10/98/554161098.db2.gz UOFGTIGAKGEGNL-MHZLTWQESA-N -1 0 472.541 5.249 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385811 554177511 /nfs/dbraw/zinc/17/75/11/554177511.db2.gz SZPFLELHTJMABC-GOSISDBHSA-N -1 0 480.358 5.374 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385885 554177547 /nfs/dbraw/zinc/17/75/47/554177547.db2.gz AMHLUOQJPWBMSQ-QGZVFWFLSA-N -1 0 469.459 5.630 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385864 554177554 /nfs/dbraw/zinc/17/75/54/554177554.db2.gz NVROSHMPZXMHHP-MRXNPFEDSA-N -1 0 470.352 5.918 50 0 JKAARM COc1ccc(CSC(C)(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002389470 554179076 /nfs/dbraw/zinc/17/90/76/554179076.db2.gz VLSRXSQDFSBEAO-VWLOTQADSA-N -1 0 491.609 5.699 50 0 JKAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002406040 554188492 /nfs/dbraw/zinc/18/84/92/554188492.db2.gz YVBQOOIGDRSKHU-UHFFFAOYSA-N -1 0 453.395 5.730 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002411539 554192353 /nfs/dbraw/zinc/19/23/53/554192353.db2.gz WMDKYVBKCACMKI-UHFFFAOYSA-N -1 0 476.558 5.049 50 0 JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002412372 554192898 /nfs/dbraw/zinc/19/28/98/554192898.db2.gz RTZDEUGNNNFRQE-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)c(C)c2)cc1 ZINC000002438761 554208674 /nfs/dbraw/zinc/20/86/74/554208674.db2.gz REKWUQSJUGRWTI-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM CC(C)(C)c1ccc(C[C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002504872 554230264 /nfs/dbraw/zinc/23/02/64/554230264.db2.gz HMXGIEACFDMWQS-OAQYLSRUSA-N -1 0 457.570 5.909 50 0 JKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1cccc2ccccc21 ZINC000002506065 554230668 /nfs/dbraw/zinc/23/06/68/554230668.db2.gz RAPMNQVPJSSLIN-OAQYLSRUSA-N -1 0 451.522 5.622 50 0 JKAARM O=C([O-])c1cnn(-c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cs2)c1C(F)(F)F ZINC000002513370 554232056 /nfs/dbraw/zinc/23/20/56/554232056.db2.gz PEFHFYXOZDRVBE-UHFFFAOYSA-N -1 0 474.247 6.280 50 0 JKAARM CC(C)(SCc1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002517147 554232081 /nfs/dbraw/zinc/23/20/81/554232081.db2.gz YVXKVWYRXVISMT-DEOSSOPVSA-N -1 0 461.583 5.690 50 0 JKAARM CC(C)(OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1 ZINC000002567621 554236314 /nfs/dbraw/zinc/23/63/14/554236314.db2.gz NPNRKQDJIWMHNG-VWLOTQADSA-N -1 0 487.552 5.237 50 0 JKAARM O=C([O-])C[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575654 554236998 /nfs/dbraw/zinc/23/69/98/554236998.db2.gz SHSVTUCIAQWRSI-SFHVURJKSA-N -1 0 469.459 5.630 50 0 JKAARM CCC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c(C(C)(C)CC)c1 ZINC000002582034 554237591 /nfs/dbraw/zinc/23/75/91/554237591.db2.gz RGIVHZWXUHEZIP-UHFFFAOYSA-N -1 0 466.449 7.400 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C(F)(F)F ZINC000002585898 554238215 /nfs/dbraw/zinc/23/82/15/554238215.db2.gz WUSGYGWDKAFPBR-JOCHJYFZSA-N -1 0 455.432 5.760 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Br)c1 ZINC000002585890 554238249 /nfs/dbraw/zinc/23/82/49/554238249.db2.gz KGNRGFVZQISFCT-QFIPXVFZSA-N -1 0 466.331 5.504 50 0 JKAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002589935 554238498 /nfs/dbraw/zinc/23/84/98/554238498.db2.gz XTXAUBLKCUPZTC-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F ZINC000002605166 554240433 /nfs/dbraw/zinc/24/04/33/554240433.db2.gz YNFIKUOISRXMOJ-UHFFFAOYSA-N -1 0 477.348 5.929 50 0 JKAARM O=C([O-])c1ccc2c(c1)nc(SCc1ccc(Cl)c(Cl)c1)n(Cc1ccccc1)c2=O ZINC000002620756 554245435 /nfs/dbraw/zinc/24/54/35/554245435.db2.gz VUJWPUBMEPUDMX-UHFFFAOYSA-N -1 0 471.365 5.742 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cncs2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002626590 554250144 /nfs/dbraw/zinc/25/01/44/554250144.db2.gz XOXZKZMPJRAJOT-UHFFFAOYSA-N -1 0 494.381 5.763 50 0 JKAARM O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000002649807 554265985 /nfs/dbraw/zinc/26/59/85/554265985.db2.gz ZSNAEOZFHYOANV-UHFFFAOYSA-N -1 0 460.886 5.473 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)nc2ccc(Br)cc21 ZINC000002670997 554279287 /nfs/dbraw/zinc/27/92/87/554279287.db2.gz VRSDRCGAUSXQDH-UHFFFAOYSA-N -1 0 496.666 7.295 50 0 JKAARM FC(F)c1cc(C2CC2)n(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731463 554315844 /nfs/dbraw/zinc/31/58/44/554315844.db2.gz UDPSIIPJDIEYTJ-UHFFFAOYSA-N -1 0 461.929 5.240 50 0 JKAARM Cc1ccc2c(c1)sc(C(=O)Nc1ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc1)c2Cl ZINC000002740115 554321303 /nfs/dbraw/zinc/32/13/03/554321303.db2.gz DNYSZBWSHJTEGZ-UHFFFAOYSA-N -1 0 487.006 5.323 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002759189 554330832 /nfs/dbraw/zinc/33/08/32/554330832.db2.gz ZXQJHUDEFZFWLW-VQTJNVASSA-N -1 0 469.603 5.704 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002759613 554330964 /nfs/dbraw/zinc/33/09/64/554330964.db2.gz VOHSMKCPQCVCFX-RBUKOAKNSA-N -1 0 469.603 5.803 50 0 JKAARM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)c3cc(Br)ccc3n2)cc1C ZINC000002759946 554331171 /nfs/dbraw/zinc/33/11/71/554331171.db2.gz GJAFMWXTOPTRJT-UHFFFAOYSA-N -1 0 475.342 6.232 50 0 JKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002783064 554342730 /nfs/dbraw/zinc/34/27/30/554342730.db2.gz IQXMTAGKSKCIEY-OALUTQOASA-N -1 0 454.592 5.332 50 0 JKAARM Cc1nn(C[C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1Cl ZINC000002809372 554359379 /nfs/dbraw/zinc/35/93/79/554359379.db2.gz NLIJUHDWGGBMDX-LLVKDONJSA-N -1 0 480.400 5.589 50 0 JKAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002845582 554375775 /nfs/dbraw/zinc/37/57/75/554375775.db2.gz YMPMDLYFTZMRQN-UHFFFAOYSA-N -1 0 498.149 6.503 50 0 JKAARM CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000002874401 554397523 /nfs/dbraw/zinc/39/75/23/554397523.db2.gz CCTSYFDDAMGIQU-UHFFFAOYSA-N -1 0 461.008 5.732 50 0 JKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)c1 ZINC000002879208 554400667 /nfs/dbraw/zinc/40/06/67/554400667.db2.gz VGBLDDOOPJFTNF-UHFFFAOYSA-N -1 0 482.911 6.029 50 0 JKAARM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000002886233 554406439 /nfs/dbraw/zinc/40/64/39/554406439.db2.gz YNQGNJJXGJGQNP-UHFFFAOYSA-N -1 0 456.951 5.213 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003043640 554424053 /nfs/dbraw/zinc/42/40/53/554424053.db2.gz LVQZNZHWPCIQPK-UHFFFAOYSA-N -1 0 493.606 5.304 50 0 JKAARM O=C(NCc1ccccc1Cl)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003051837 554424409 /nfs/dbraw/zinc/42/44/09/554424409.db2.gz LQINNKKGQLEJIJ-UHFFFAOYSA-N -1 0 453.995 5.159 50 0 JKAARM O=S(=O)([O-])c1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ccc1Oc1ccccc1 ZINC000003056917 554425051 /nfs/dbraw/zinc/42/50/51/554425051.db2.gz YVFILKJFGURSCD-UHFFFAOYSA-N -1 0 468.534 6.245 50 0 JKAARM CCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000003169310 554428100 /nfs/dbraw/zinc/42/81/00/554428100.db2.gz HQOVCVNGKYAINE-UHFFFAOYSA-N -1 0 493.592 6.302 50 0 JKAARM O=C([O-])CSCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003231442 554434559 /nfs/dbraw/zinc/43/45/59/554434559.db2.gz QSRGBUBWDPLNSE-UHFFFAOYSA-N -1 0 480.655 6.209 50 0 JKAARM CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000003291092 554444759 /nfs/dbraw/zinc/44/47/59/554444759.db2.gz IBUOGUFTYYLRIH-UHFFFAOYSA-N -1 0 486.597 5.661 50 0 JKAARM COc1ccc(NC(=O)c2ccc(C)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003316066 554449689 /nfs/dbraw/zinc/44/96/89/554449689.db2.gz OKNWUDILKIZDLU-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Sc1nc2ccccc2s1)c1ccccc1 ZINC000003321933 554451269 /nfs/dbraw/zinc/45/12/69/554451269.db2.gz ZUINIKUMHAQBEL-UHFFFAOYSA-N -1 0 450.570 5.192 50 0 JKAARM COc1ccc(-n2c(SCc3nc(=O)c4sccc4[n-]3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000003336065 554453682 /nfs/dbraw/zinc/45/36/82/554453682.db2.gz QNPFINVAHKQMSW-UHFFFAOYSA-N -1 0 481.990 5.187 50 0 JKAARM O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000003346591 554455259 /nfs/dbraw/zinc/45/52/59/554455259.db2.gz QHLPRJQLEJWOBH-UHFFFAOYSA-N -1 0 473.906 5.161 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)cc1 ZINC000003359960 554458246 /nfs/dbraw/zinc/45/82/46/554458246.db2.gz ZFPXXYOZWHZXCP-UHFFFAOYSA-N -1 0 486.309 6.369 50 0 JKAARM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003631049 554467763 /nfs/dbraw/zinc/46/77/63/554467763.db2.gz JUHDTUPDEWAMJU-UHFFFAOYSA-N -1 0 455.461 5.005 50 0 JKAARM CC(C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004017664 554472258 /nfs/dbraw/zinc/47/22/58/554472258.db2.gz KBNQBCQYQHNTPV-LJQANCHMSA-N -1 0 488.456 5.325 50 0 JKAARM Cc1ccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4Cl)[n-]c3-c3ccccc3)C2=O)cc1 ZINC000004239706 554476342 /nfs/dbraw/zinc/47/63/42/554476342.db2.gz GTAAISWNDWOEAC-JCMHNJIXSA-N -1 0 484.943 5.300 50 0 JKAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006141569 554508424 /nfs/dbraw/zinc/50/84/24/554508424.db2.gz BNRIJHHWNWBPNZ-LBPRGKRZSA-N -1 0 499.397 5.040 50 0 JKAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006141571 554508432 /nfs/dbraw/zinc/50/84/32/554508432.db2.gz BNRIJHHWNWBPNZ-GFCCVEGCSA-N -1 0 499.397 5.040 50 0 JKAARM CCOC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000006146140 554510328 /nfs/dbraw/zinc/51/03/28/554510328.db2.gz XZGOWDYADOEIJU-UHFFFAOYSA-N -1 0 485.008 5.001 50 0 JKAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000006146277 554510367 /nfs/dbraw/zinc/51/03/67/554510367.db2.gz KGJNAXDYTSOZOY-UHFFFAOYSA-N -1 0 479.602 5.129 50 0 JKAARM Cc1c(Cl)cccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146536 554510729 /nfs/dbraw/zinc/51/07/29/554510729.db2.gz GWCAUYZJRUTSGV-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM O=C(Nc1ccc2ccccc2c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006147284 554511154 /nfs/dbraw/zinc/51/11/54/554511154.db2.gz JOHKMXMAQVYSSP-UHFFFAOYSA-N -1 0 481.371 5.655 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1C ZINC000006153431 554512413 /nfs/dbraw/zinc/51/24/13/554512413.db2.gz HIVLAMJBZSPGIA-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2[C@H](C)CCCC(C)C)c1 ZINC000006170896 554514414 /nfs/dbraw/zinc/51/44/14/554514414.db2.gz SQVWTHMJQRKTDD-QGZVFWFLSA-N -1 0 474.652 5.804 50 0 JKAARM S=c1[n-]nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccc(Cl)cc1 ZINC000008410066 554577341 /nfs/dbraw/zinc/57/73/41/554577341.db2.gz TWEHXLIANVDKMO-UHFFFAOYSA-N -1 0 476.030 6.933 50 0 JKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1=O ZINC000008425432 554580396 /nfs/dbraw/zinc/58/03/96/554580396.db2.gz PEJHGYQZIWQDEI-UHFFFAOYSA-N -1 0 464.562 5.497 50 0 JKAARM CCCc1oc2c(cc([N-]S(=O)(=O)c3ccc4ccccc4c3)c3ccccc23)c1C(=O)OCC ZINC000008439272 554590598 /nfs/dbraw/zinc/59/05/98/554590598.db2.gz LZWFQGSWFQZHLC-UHFFFAOYSA-N -1 0 487.577 6.669 50 0 JKAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008455892 554600117 /nfs/dbraw/zinc/60/01/17/554600117.db2.gz QJRWJSAEZKPDSG-RBUKOAKNSA-N -1 0 451.544 5.575 50 0 JKAARM CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000008456218 554600269 /nfs/dbraw/zinc/60/02/69/554600269.db2.gz OTJABGLNFNSTKM-VAPSRWTKSA-N -1 0 491.565 5.076 50 0 JKAARM CCc1cc2c(cc1[O-])oc([C@@H](CCSC)NC(=O)OC(C)(C)C)c(-c1nc(C)cs1)c2=O ZINC000008740015 554641767 /nfs/dbraw/zinc/64/17/67/554641767.db2.gz FPEZFRFEXBMAMQ-MRXNPFEDSA-N -1 0 490.647 5.812 50 0 biogenic JKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000008757121 554659526 /nfs/dbraw/zinc/65/95/26/554659526.db2.gz SSQFLNGSXKALDR-UHFFFAOYSA-N -1 0 471.478 5.291 50 0 JKAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008836408 554736390 /nfs/dbraw/zinc/73/63/90/554736390.db2.gz MLLGJXARWOSVQU-UHFFFAOYSA-N -1 0 489.384 5.358 50 0 JKAARM CC[C@@H](NC(=O)c1cc(Cl)c(C)c(Cl)c1[O-])Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000008843262 554740535 /nfs/dbraw/zinc/74/05/35/554740535.db2.gz AXOAKZFQANXHKD-QFIPXVFZSA-N -1 0 494.503 7.928 50 0 JKAARM COC(=O)c1c2cc([N-]S(=O)(=O)c3cccc4cccnc43)c(C)cc2oc1C(C)(C)C ZINC000008870387 554765084 /nfs/dbraw/zinc/76/50/84/554765084.db2.gz RVXMDQJSYGULBO-UHFFFAOYSA-N -1 0 452.532 5.174 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2nc(SC(C)C)ncc2Cl)c1 ZINC000008916970 554811695 /nfs/dbraw/zinc/81/16/95/554811695.db2.gz GPFKCYPUFBDORW-UHFFFAOYSA-N -1 0 480.977 6.190 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2nc(SC(C)C)ncc2Cl)cc1 ZINC000008917156 554811940 /nfs/dbraw/zinc/81/19/40/554811940.db2.gz STNILPOXNJXCJM-UHFFFAOYSA-N -1 0 496.976 5.890 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000008918019 554813788 /nfs/dbraw/zinc/81/37/88/554813788.db2.gz UCZUVQLUSGALCV-OICRRXMMSA-N -1 0 477.686 5.427 50 0 biogenic JKAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000008952308 554835751 /nfs/dbraw/zinc/83/57/51/554835751.db2.gz CDBKRFRMPWKELU-OAQYLSRUSA-N -1 0 461.514 5.043 50 0 biogenic JKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc12 ZINC000008952598 554836286 /nfs/dbraw/zinc/83/62/86/554836286.db2.gz AKQCCBGXRNNPLS-NRFANRHFSA-N -1 0 479.916 5.095 50 0 biogenic JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc1 ZINC000008956102 554837035 /nfs/dbraw/zinc/83/70/35/554837035.db2.gz RBOXUDKSWVRHER-UHFFFAOYSA-N -1 0 492.409 5.965 50 0 JKAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000008961397 554837972 /nfs/dbraw/zinc/83/79/72/554837972.db2.gz YAHROYQKKBIPQL-UHFFFAOYSA-N -1 0 458.923 5.124 50 0 JKAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)ccc1O ZINC000008965122 554839191 /nfs/dbraw/zinc/83/91/91/554839191.db2.gz RSFLVXHYRLNIHJ-HXUWFJFHSA-N -1 0 477.460 5.745 50 0 JKAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)cc1 ZINC000008965121 554839250 /nfs/dbraw/zinc/83/92/50/554839250.db2.gz HKFTXDIIGVZBSW-FQEVSTJZSA-N -1 0 461.461 6.039 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000009007577 554860653 /nfs/dbraw/zinc/86/06/53/554860653.db2.gz UKHXFNMEESCBBU-HSZRJFAPSA-N -1 0 499.954 5.803 50 0 JKAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Sc2ccccc2Cl)cc1 ZINC000009011864 554864480 /nfs/dbraw/zinc/86/44/80/554864480.db2.gz FNYSTFRQDGFVDA-UHFFFAOYSA-N -1 0 484.990 5.194 50 0 JKAARM COc1ccccc1C(=O)NC([N-]c1nc2ccc(Cl)cc2s1)(C(F)(F)F)C(F)(F)F ZINC000009012539 554864854 /nfs/dbraw/zinc/86/48/54/554864854.db2.gz ADRBXDXWBGTYLY-UHFFFAOYSA-N -1 0 483.821 5.621 50 0 JKAARM O=C(CCc1ccccc1)NC([N-]c1nc2ccc(Cl)cc2s1)(C(F)(F)F)C(F)(F)F ZINC000009013599 554864974 /nfs/dbraw/zinc/86/49/74/554864974.db2.gz LZSQFGCSEDRLCC-UHFFFAOYSA-N -1 0 481.849 5.932 50 0 JKAARM COc1ccc2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000009046526 554870474 /nfs/dbraw/zinc/87/04/74/554870474.db2.gz NUARSRIUBWIUCH-OAQYLSRUSA-N -1 0 486.355 5.483 50 0 JKAARM Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1C ZINC000009071688 554886488 /nfs/dbraw/zinc/88/64/88/554886488.db2.gz RUICAFJLURIYMQ-UHFFFAOYSA-N -1 0 467.319 5.597 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009076271 554887665 /nfs/dbraw/zinc/88/76/65/554887665.db2.gz BDTBVTIWELVXGZ-AREMUKBSSA-N -1 0 478.552 5.390 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCC1 ZINC000009097235 554896077 /nfs/dbraw/zinc/89/60/77/554896077.db2.gz BHYSWUAAJVNLHM-UHFFFAOYSA-N -1 0 485.993 5.002 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2nn(-c3ccccc3)cc2-c2ccccc2)C[C@H]1c1cccs1 ZINC000009216522 554984809 /nfs/dbraw/zinc/98/48/09/554984809.db2.gz LLHMWTLIGFZHQU-QFIPXVFZSA-N -1 0 470.554 5.143 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)c(Cl)c4)=NN32)c(C(=O)[O-])c1OC ZINC000009216612 554985034 /nfs/dbraw/zinc/98/50/34/554985034.db2.gz SNIMEQHMORWIBL-YADARESESA-N -1 0 499.350 5.951 50 0 JKAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)ccc1[O-] ZINC000009216824 554985322 /nfs/dbraw/zinc/98/53/22/554985322.db2.gz JMHDBPOMMQDGLZ-UHFFFAOYSA-N -1 0 470.982 5.353 50 0 JKAARM COc1ccc(Cn2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc3nc4ccccc4nc32)cc1 ZINC000009282564 555052179 /nfs/dbraw/zinc/05/21/79/555052179.db2.gz SEKGFDCYIJSWRB-UHFFFAOYSA-N -1 0 478.961 5.096 50 0 JKAARM Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000009301878 555075006 /nfs/dbraw/zinc/07/50/06/555075006.db2.gz BLOACAWQOLXPLL-RUZDIDTESA-N -1 0 497.982 6.406 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000009331190 555101116 /nfs/dbraw/zinc/10/11/16/555101116.db2.gz ROEKFNGYBTZDBZ-JIPXPUAJSA-N -1 0 488.540 5.270 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 ZINC000009337541 555105385 /nfs/dbraw/zinc/10/53/85/555105385.db2.gz HWKTXRSIWGKYKL-UHFFFAOYSA-N -1 0 488.565 5.181 50 0 JKAARM O=C1C[C@H](c2ccc(F)cc2)Cc2nc([N-]c3nc4ccccc4c(-c4ccccc4)n3)ncc21 ZINC000009345779 555112246 /nfs/dbraw/zinc/11/22/46/555112246.db2.gz JULWQKFHEGPQGA-LJQANCHMSA-N -1 0 461.500 5.882 50 0 JKAARM Cc1[nH]c2ccccc2c1C(=O)CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009347865 555113800 /nfs/dbraw/zinc/11/38/00/555113800.db2.gz ZAXBGMHGWOZAQQ-UHFFFAOYSA-N -1 0 455.992 5.480 50 0 JKAARM O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000009349173 555115725 /nfs/dbraw/zinc/11/57/25/555115725.db2.gz DSHOWXAZNURITN-QFIPXVFZSA-N -1 0 466.415 5.084 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000009354769 555119176 /nfs/dbraw/zinc/11/91/76/555119176.db2.gz UQJJQQZAROGRLZ-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000009363774 555124292 /nfs/dbraw/zinc/12/42/92/555124292.db2.gz IILAPILQVALNRV-QGZVFWFLSA-N -1 0 470.150 5.298 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2sc3sccc3c2Cl)c1 ZINC000009367437 555129492 /nfs/dbraw/zinc/12/94/92/555129492.db2.gz DBPXMJSCKRMICC-UHFFFAOYSA-N -1 0 495.003 5.384 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1c(Cl)cccc1Cl ZINC000009373039 555134396 /nfs/dbraw/zinc/13/43/96/555134396.db2.gz NVHZURFTOTYYSL-UHFFFAOYSA-N -1 0 490.195 6.353 50 0 JKAARM Cc1cc(-c2nc3cccnc3s2)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000009403970 555162190 /nfs/dbraw/zinc/16/21/90/555162190.db2.gz KDDMBIQQBJRAIR-UHFFFAOYSA-N -1 0 483.924 6.140 50 0 JKAARM Cc1ccc(CSc2ncc(Br)c(C(=O)[N-]c3nonc3-c3ccccc3)n2)cc1 ZINC000009410286 555176441 /nfs/dbraw/zinc/17/64/41/555176441.db2.gz GSFKEFWDYGAMHX-UHFFFAOYSA-N -1 0 482.363 5.142 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000009467847 555245696 /nfs/dbraw/zinc/24/56/96/555245696.db2.gz LPQRPQIYANZKQU-UHFFFAOYSA-N -1 0 495.782 5.164 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2OC)cc1 ZINC000009508115 555293764 /nfs/dbraw/zinc/29/37/64/555293764.db2.gz BJZLOBWJPAASNW-UHFFFAOYSA-N -1 0 495.384 5.454 50 0 JKAARM CCCO[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000013138477 555335588 /nfs/dbraw/zinc/33/55/88/555335588.db2.gz KAQLBFOQIMVWFJ-QPPBQGQZSA-N -1 0 474.479 5.315 50 0 JKAARM CCOc1cc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1OC(F)F ZINC000009545476 555338202 /nfs/dbraw/zinc/33/82/02/555338202.db2.gz NGVWORDXBLYUAU-LFIBNONCSA-N -1 0 454.473 5.309 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000009634892 555341114 /nfs/dbraw/zinc/34/11/14/555341114.db2.gz AIRNXXUSGGBNPB-UHFFFAOYSA-N -1 0 486.640 5.227 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000009634893 555341134 /nfs/dbraw/zinc/34/11/34/555341134.db2.gz MNNFLYDNSXTXEP-UHFFFAOYSA-N -1 0 477.007 5.021 50 0 JKAARM COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2C(=O)[O-])[C@H]3c2ccc(OC)cc2)cc1 ZINC000013145792 555343448 /nfs/dbraw/zinc/34/34/48/555343448.db2.gz SRLCPUQDDJJIHT-RSCYYUOGSA-N -1 0 496.563 5.839 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000009639951 555349392 /nfs/dbraw/zinc/34/93/92/555349392.db2.gz QQCXPPTXSBOHAG-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM COc1ccc([C@@H](CC(=O)c2ccccc2)c2c(C)[n-]n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000013150339 555355693 /nfs/dbraw/zinc/35/56/93/555355693.db2.gz HRPNSIGCKYCBPV-ZEQKJWHPSA-N -1 0 495.406 6.393 50 0 JKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000009645920 555358916 /nfs/dbraw/zinc/35/89/16/555358916.db2.gz LPMWGISHTOEQJP-UHFFFAOYSA-N -1 0 451.953 5.055 50 0 JKAARM CSc1ccc2cc(CSc3nnc(-c4cccs4)n3CC(=O)[O-])c(Cl)nc2c1 ZINC000013204312 555369517 /nfs/dbraw/zinc/36/95/17/555369517.db2.gz LDMDYIKEEVQRPW-UHFFFAOYSA-N -1 0 463.009 5.307 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000013346740 555377360 /nfs/dbraw/zinc/37/73/60/555377360.db2.gz VJUAHQUFOHNQES-UHFFFAOYSA-N -1 0 460.964 5.435 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000013347488 555377680 /nfs/dbraw/zinc/37/76/80/555377680.db2.gz MHCGCPIHJOXBEZ-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(F)cc4)ccc3s2)cc1 ZINC000013347534 555377899 /nfs/dbraw/zinc/37/78/99/555377899.db2.gz SQEPTZRJESZVJJ-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cccc(F)c4)ccc3s2)cc1 ZINC000013347631 555378014 /nfs/dbraw/zinc/37/80/14/555378014.db2.gz KIHVWESJHBTBOY-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM CCOc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000013348986 555378804 /nfs/dbraw/zinc/37/88/04/555378804.db2.gz XZOMLAFMEVNUOX-UHFFFAOYSA-N -1 0 482.587 5.448 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1OC ZINC000013348965 555378846 /nfs/dbraw/zinc/37/88/46/555378846.db2.gz BIGWYLDJULEOEB-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cc(C)cc(C)c4)cc3s2)cc1 ZINC000013348961 555378851 /nfs/dbraw/zinc/37/88/51/555378851.db2.gz ZDFBZBUDQCIRQW-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3s2)cc1 ZINC000013349031 555378857 /nfs/dbraw/zinc/37/88/57/555378857.db2.gz APCCRDBGRIVUIT-UHFFFAOYSA-N -1 0 474.514 5.328 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000013348969 555378870 /nfs/dbraw/zinc/37/88/70/555378870.db2.gz ODXKFAWGYIIPET-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM CCc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013348998 555378875 /nfs/dbraw/zinc/37/88/75/555378875.db2.gz CQIWNOJKKQFEDN-UHFFFAOYSA-N -1 0 466.588 5.612 50 0 JKAARM CCOc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013348982 555378893 /nfs/dbraw/zinc/37/88/93/555378893.db2.gz OQINXEKWFOQNDB-UHFFFAOYSA-N -1 0 482.587 5.448 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cccc(F)c4)cc3s2)cc1 ZINC000013349117 555378971 /nfs/dbraw/zinc/37/89/71/555378971.db2.gz SZXPYPQMRKTNAX-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc3s2)cc1 ZINC000013348949 555379000 /nfs/dbraw/zinc/37/90/00/555379000.db2.gz XVWMKSGKUWZCAG-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM CCc1ccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000013349160 555379142 /nfs/dbraw/zinc/37/91/42/555379142.db2.gz FFEVLCQHJAPNGN-UHFFFAOYSA-N -1 0 480.615 5.920 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccccc4Cl)cc3C)s2)cc1 ZINC000013349152 555379203 /nfs/dbraw/zinc/37/92/03/555379203.db2.gz SLBCSUMTJNIMMJ-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccc(Cl)cc4)cc3C)s2)cc1 ZINC000013349165 555379302 /nfs/dbraw/zinc/37/93/02/555379302.db2.gz OGESUJAKAWPPEN-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM COc1cccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000013349144 555379307 /nfs/dbraw/zinc/37/93/07/555379307.db2.gz PZCULGRSTYRUIP-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM COc1cccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000013349480 555379523 /nfs/dbraw/zinc/37/95/23/555379523.db2.gz UOIQILPTGHYDSV-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)c1 ZINC000013359132 555385218 /nfs/dbraw/zinc/38/52/18/555385218.db2.gz SEQSWNGWKFRUIJ-UHFFFAOYSA-N -1 0 450.516 5.135 50 0 JKAARM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(Br)s4)c3)n2)cc1 ZINC000013359158 555385245 /nfs/dbraw/zinc/38/52/45/555385245.db2.gz MYJXJXMOUQOBOX-UHFFFAOYSA-N -1 0 475.389 5.942 50 0 JKAARM CCOc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)cc1 ZINC000013361376 555387001 /nfs/dbraw/zinc/38/70/01/555387001.db2.gz KDSOPYQVFKGYMK-UHFFFAOYSA-N -1 0 468.560 5.140 50 0 JKAARM CCc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)cc1 ZINC000013361350 555387018 /nfs/dbraw/zinc/38/70/18/555387018.db2.gz LIYYWFMRYQSZTG-UHFFFAOYSA-N -1 0 452.561 5.304 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2oc3c(cccc3F)c2C)c1 ZINC000009671803 555392312 /nfs/dbraw/zinc/39/23/12/555392312.db2.gz XTJXHAIBICFAJM-UHFFFAOYSA-N -1 0 468.506 5.250 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000009601798 555427048 /nfs/dbraw/zinc/42/70/48/555427048.db2.gz CLFJDAVZZRPGJN-QFIPXVFZSA-N -1 0 466.563 5.178 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000009601799 555427063 /nfs/dbraw/zinc/42/70/63/555427063.db2.gz CLFJDAVZZRPGJN-JOCHJYFZSA-N -1 0 466.563 5.178 50 0 JKAARM Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(OCC(=O)[O-])cc2)Nc2ccccc2-3)cc1 ZINC000009601877 555427595 /nfs/dbraw/zinc/42/75/95/555427595.db2.gz KRICOMJYQPZYPE-DEOSSOPVSA-N -1 0 486.553 5.106 50 0 JKAARM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009703934 555428878 /nfs/dbraw/zinc/42/88/78/555428878.db2.gz MIBJIEBDGQUMMK-UHFFFAOYSA-N -1 0 455.388 5.128 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000009782627 555503510 /nfs/dbraw/zinc/50/35/10/555503510.db2.gz XUHUQXAABISOAX-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM CCOC(=O)c1ccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009782624 555503531 /nfs/dbraw/zinc/50/35/31/555503531.db2.gz IEPCQKDUDGZOSM-UHFFFAOYSA-N -1 0 496.976 5.313 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000009782633 555503538 /nfs/dbraw/zinc/50/35/38/555503538.db2.gz MGTBGCHYEOINDS-UHFFFAOYSA-N -1 0 483.549 5.856 50 0 JKAARM Cc1ccc(C)c(NC(=O)[C@H](Sc2ccccc2[N-]C(=S)Nc2ccccc2)c2ccccc2)c1 ZINC000013578933 555517427 /nfs/dbraw/zinc/51/74/27/555517427.db2.gz KKHCBMSAYXOAIN-HHHXNRCGSA-N -1 0 497.689 7.584 50 0 JKAARM COc1cccc(NC(=O)[C@@H](Sc2ccc(NC(=O)/C=C(\C)C(=O)[O-])cc2)c2ccccc2)c1 ZINC000013579130 555517978 /nfs/dbraw/zinc/51/79/78/555517978.db2.gz ORNIUCYHNPIMGF-BRGVFWSASA-N -1 0 476.554 5.137 50 0 JKAARM O=C([O-])CCN1C(=O)COc2ccc(-c3cc(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)n3)cc21 ZINC000019862881 555520802 /nfs/dbraw/zinc/52/08/02/555520802.db2.gz AJWFBLTZOWGZLP-UHFFFAOYSA-N -1 0 486.474 5.561 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000013597227 555529470 /nfs/dbraw/zinc/52/94/70/555529470.db2.gz XDBFNGCWAOAKFD-UQBPGWFLSA-N -1 0 494.931 5.306 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000009858075 555559425 /nfs/dbraw/zinc/55/94/25/555559425.db2.gz LPVYLNYCBSDRPP-UHFFFAOYSA-N -1 0 494.020 5.818 50 0 JKAARM COc1ccc(Cl)cc1Nc1nc2cc(C)ccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009858120 555559635 /nfs/dbraw/zinc/55/96/35/555559635.db2.gz ROJSFRCWUIORRY-UHFFFAOYSA-N -1 0 489.384 5.798 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cc(C)ccc3OC)nc2c1 ZINC000009858111 555559705 /nfs/dbraw/zinc/55/97/05/555559705.db2.gz WCDQJKVHUIVFHI-UHFFFAOYSA-N -1 0 484.965 5.153 50 0 JKAARM O=C(Nc1ccccc1Cl)C1=C([O-])c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000009939482 555564671 /nfs/dbraw/zinc/56/46/71/555564671.db2.gz XNGCGCSPZNRXEJ-UHFFFAOYSA-N -1 0 475.353 5.209 50 0 JKAARM O=C(c1cccs1)N1N=C(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@H]1c1cccs1 ZINC000009969656 555566374 /nfs/dbraw/zinc/56/63/74/555566374.db2.gz NVPDRGPXWUMCIH-NRFANRHFSA-N -1 0 493.635 5.602 50 0 JKAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000009994739 555588772 /nfs/dbraw/zinc/58/87/72/555588772.db2.gz WUDNDEVPDBOFEL-MRXNPFEDSA-N -1 0 456.608 5.572 50 0 JKAARM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)o1 ZINC000013739392 555606709 /nfs/dbraw/zinc/60/67/09/555606709.db2.gz GXNNSDSMWWWUDF-HXUWFJFHSA-N -1 0 475.444 5.759 50 0 JKAARM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000013810504 555625840 /nfs/dbraw/zinc/62/58/40/555625840.db2.gz DUDOADNNLUCYMA-HAHDFKILSA-N -1 0 475.522 5.603 50 0 JKAARM COc1cccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(CC(=O)[O-])s3)c(=O)oc21 ZINC000013897748 555644486 /nfs/dbraw/zinc/64/44/86/555644486.db2.gz FKEWITYQNASREP-UHFFFAOYSA-N -1 0 469.518 5.886 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1 ZINC000010232771 555657300 /nfs/dbraw/zinc/65/73/00/555657300.db2.gz NVADCLYEJYYPLE-UHFFFAOYSA-N -1 0 457.873 6.246 50 0 JKAARM Cc1c2c(cc(OCc3cccc(-c4ccc(C(=O)[O-])cc4)c3)c1C)C[C@H](C1CCCC1)C2=O ZINC000013978659 555666551 /nfs/dbraw/zinc/66/65/51/555666551.db2.gz KMKBEESNZAPKMP-AREMUKBSSA-N -1 0 454.566 6.793 50 0 in-vitro JKAARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000020168148 555678590 /nfs/dbraw/zinc/67/85/90/555678590.db2.gz PJCJKCAHPFHKGV-MPIRFRCKSA-N -1 0 455.576 5.284 50 0 JKAARM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014089743 555684655 /nfs/dbraw/zinc/68/46/55/555684655.db2.gz NBGQZFQREPIKMG-PONOSELZSA-N -1 0 456.711 7.090 50 0 endogenous,in-man JKAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1C ZINC000020293941 555762637 /nfs/dbraw/zinc/76/26/37/555762637.db2.gz SQQCOFKZIIKVMY-UHFFFAOYSA-N -1 0 452.407 5.581 50 0 JKAARM Cc1sc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000020293979 555762700 /nfs/dbraw/zinc/76/27/00/555762700.db2.gz VAGUCKUSAIPEQI-UHFFFAOYSA-N -1 0 456.608 5.484 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4ccc(C(C)C)cc4)c3=O)c2c1 ZINC000020331554 555776988 /nfs/dbraw/zinc/77/69/88/555776988.db2.gz REWSBYIXFIWLID-UHFFFAOYSA-N -1 0 464.591 5.481 50 0 JKAARM CCc1nnc(C2=C([O-])c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(C(C)C)cc2)s1 ZINC000011614290 555790692 /nfs/dbraw/zinc/79/06/92/555790692.db2.gz DYWVYJROYYAUFW-CTNGQTDRSA-N -1 0 464.974 6.096 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000020549786 555806981 /nfs/dbraw/zinc/80/69/81/555806981.db2.gz OXQHVLUDSDMXSL-YADHBBJMSA-N -1 0 497.657 6.858 50 0 JKAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)N32)cc1 ZINC000011766875 555812115 /nfs/dbraw/zinc/81/21/15/555812115.db2.gz USWCTGIYKDAKAX-RSXGOPAZSA-N -1 0 479.536 5.472 50 0 JKAARM Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000020562029 555813306 /nfs/dbraw/zinc/81/33/06/555813306.db2.gz KCPQCWBHVCJLKX-UHFFFAOYSA-N -1 0 499.658 5.005 50 0 JKAARM CCC(C)(C)c1ccc(OCCCCn2c(=O)c3ccccc3[n-]c2=S)c(C(C)(C)CC)c1 ZINC000020568846 555822325 /nfs/dbraw/zinc/82/23/25/555822325.db2.gz UZWGEVJYCILSQA-UHFFFAOYSA-N -1 0 466.691 7.293 50 0 JKAARM C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020568965 555822625 /nfs/dbraw/zinc/82/26/25/555822625.db2.gz UVYGFPHZEFMPBH-LBPRGKRZSA-N -1 0 497.853 5.011 50 0 JKAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)[C@@H]1C ZINC000020645507 555846860 /nfs/dbraw/zinc/84/68/60/555846860.db2.gz UQNBXSOAPDYHBE-SXGZJXTBSA-N -1 0 456.011 5.315 50 0 JKAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)[C@@H]1C ZINC000020645503 555846942 /nfs/dbraw/zinc/84/69/42/555846942.db2.gz UQNBXSOAPDYHBE-STXHMFSFSA-N -1 0 456.011 5.315 50 0 JKAARM O=C(OCc1nc(=O)c2sccc2[n-]1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000021981530 555859225 /nfs/dbraw/zinc/85/92/25/555859225.db2.gz CEMADEQWFFBTGT-UHFFFAOYSA-N -1 0 453.932 5.272 50 0 JKAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1 ZINC000015019492 555861183 /nfs/dbraw/zinc/86/11/83/555861183.db2.gz XPXVUDJPDSQHCE-UHFFFAOYSA-N -1 0 484.537 5.418 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 ZINC000011915649 555866909 /nfs/dbraw/zinc/86/69/09/555866909.db2.gz ZFANDBLSZUFZES-UHFFFAOYSA-N -1 0 469.472 6.348 50 0 JKAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)c(Br)c1OCc1ccccc1 ZINC000022077347 555872006 /nfs/dbraw/zinc/87/20/06/555872006.db2.gz JPXQOECUHJMQBF-CMDGGOBGSA-N -1 0 456.130 5.287 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cccc(OC2CCCC2)c1 ZINC000015082273 555873223 /nfs/dbraw/zinc/87/32/23/555873223.db2.gz KBWWXVQADZFJDO-LJQANCHMSA-N -1 0 451.519 6.048 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000015082767 555873497 /nfs/dbraw/zinc/87/34/97/555873497.db2.gz SEPYAECHQXHCIS-QFIPXVFZSA-N -1 0 487.552 6.348 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000015082765 555873550 /nfs/dbraw/zinc/87/35/50/555873550.db2.gz SEPYAECHQXHCIS-JOCHJYFZSA-N -1 0 487.552 6.348 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000015082771 555873642 /nfs/dbraw/zinc/87/36/42/555873642.db2.gz TUKWLSRXTMVGKV-NRFANRHFSA-N -1 0 473.525 6.306 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000015107209 555877738 /nfs/dbraw/zinc/87/77/38/555877738.db2.gz KGISUXOLPRWFRI-NRFANRHFSA-N -1 0 455.535 6.166 50 0 JKAARM CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000012063119 555900962 /nfs/dbraw/zinc/90/09/62/555900962.db2.gz RAGOJXGBBARZDR-WJTDDFOZSA-N -1 0 486.018 5.226 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 ZINC000015422706 555908411 /nfs/dbraw/zinc/90/84/11/555908411.db2.gz COXYMSTVGBARFQ-UHFFFAOYSA-N -1 0 498.630 5.124 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112531 555909360 /nfs/dbraw/zinc/90/93/60/555909360.db2.gz WIKAXHJPGKPGDA-UHFFFAOYSA-N -1 0 491.638 5.566 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 ZINC000015669806 555924615 /nfs/dbraw/zinc/92/46/15/555924615.db2.gz DHUAUPCIAQJQNW-QGZVFWFLSA-N -1 0 493.519 6.224 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000015671509 555928674 /nfs/dbraw/zinc/92/86/74/555928674.db2.gz PEEQFKBYVXPFAM-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM C[C@@H]1C[C@@H](C)CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000022852035 555958866 /nfs/dbraw/zinc/95/88/66/555958866.db2.gz SSPJSNKQBGSNTM-LBTNJELSSA-N -1 0 487.423 5.586 50 0 JKAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854584 555960899 /nfs/dbraw/zinc/96/08/99/555960899.db2.gz KGDFLOCBHZUFIT-FQEVSTJZSA-N -1 0 488.444 5.277 50 0 JKAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854762 555961603 /nfs/dbraw/zinc/96/16/03/555961603.db2.gz QWKPLXARSLEZNJ-FQEVSTJZSA-N -1 0 488.444 5.277 50 0 JKAARM O=C([O-])c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)o2)cc1 ZINC000012376055 555963056 /nfs/dbraw/zinc/96/30/56/555963056.db2.gz LQOKMAUCRRJKHW-GDLZYMKVSA-N -1 0 473.528 7.078 50 0 JKAARM COC(=O)c1cc2nc(Cc3ccccc3)oc2c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012401123 555975656 /nfs/dbraw/zinc/97/56/56/555975656.db2.gz DXAKLFNWYJBFOA-UHFFFAOYSA-N -1 0 478.570 5.304 50 0 JKAARM O=C([O-])c1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2Br)cc1 ZINC000015746686 555984975 /nfs/dbraw/zinc/98/49/75/555984975.db2.gz DLIGABDHBLZUFN-OGMQXUJQSA-N -1 0 491.341 5.113 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 ZINC000012526417 555994957 /nfs/dbraw/zinc/99/49/57/555994957.db2.gz WQXSSRDMOIPGDN-UHFFFAOYSA-N -1 0 493.610 5.109 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc2ccccc2c1 ZINC000012529093 555998090 /nfs/dbraw/zinc/99/80/90/555998090.db2.gz ARSBQFCLYWJUOK-UHFFFAOYSA-N -1 0 471.365 6.200 50 0 JKAARM Cc1nn(-c2ccccc2)c(C)c1/C=C1\C[C@@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000012532336 556002354 /nfs/dbraw/zinc/00/23/54/556002354.db2.gz TXTSUCDEUNVKTK-ICFXLVBESA-N -1 0 465.597 6.885 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000012541219 556015193 /nfs/dbraw/zinc/01/51/93/556015193.db2.gz ZOUGOLHBYQGRSX-UHFFFAOYSA-N -1 0 479.385 5.374 50 0 JKAARM COc1ccc(OCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000012546642 556022881 /nfs/dbraw/zinc/02/28/81/556022881.db2.gz ZZNZJMLSJUVMTM-UHFFFAOYSA-N -1 0 488.993 5.174 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015858785 556025906 /nfs/dbraw/zinc/02/59/06/556025906.db2.gz KJJNAYVZZLVOHB-UHFFFAOYSA-N -1 0 470.957 5.682 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000015858780 556025978 /nfs/dbraw/zinc/02/59/78/556025978.db2.gz LMCBVJACBADANG-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cccc(C)c4)cc3C)s2)cc1 ZINC000015862033 556034559 /nfs/dbraw/zinc/03/45/59/556034559.db2.gz FRSJKWIMEISKJK-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CCc4ccccc4)cc3C)s2)cc1 ZINC000015862040 556034695 /nfs/dbraw/zinc/03/46/95/556034695.db2.gz JCYRGQSDGXKWMW-UHFFFAOYSA-N -1 0 465.600 5.285 50 0 JKAARM Cc1cc(NC(=O)c2ccc(Cl)cc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862123 556035186 /nfs/dbraw/zinc/03/51/86/556035186.db2.gz MSRRZZHTDKCKFH-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870255 556050003 /nfs/dbraw/zinc/05/00/03/556050003.db2.gz KMOXEIVMVMIZHP-UHFFFAOYSA-N -1 0 480.011 5.278 50 0 JKAARM O=C([O-])CSc1c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2nc2c1CCCC2 ZINC000015879142 556051456 /nfs/dbraw/zinc/05/14/56/556051456.db2.gz YNPMHYIVIMXVGV-UHFFFAOYSA-N -1 0 460.477 5.561 50 0 JKAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)NCc2ccccc2)cc1 ZINC000023441528 556060332 /nfs/dbraw/zinc/06/03/32/556060332.db2.gz NOJSHILFOQKQGM-UHFFFAOYSA-N -1 0 472.994 5.250 50 0 JKAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000015911037 556064920 /nfs/dbraw/zinc/06/49/20/556064920.db2.gz HBFUBWWSYVYXFF-UHFFFAOYSA-N -1 0 488.837 5.015 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(F)cc1Cl ZINC000015911204 556065079 /nfs/dbraw/zinc/06/50/79/556065079.db2.gz UIMIZTIAAQCPPF-UHFFFAOYSA-N -1 0 460.893 5.414 50 0 JKAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000015911165 556065133 /nfs/dbraw/zinc/06/51/33/556065133.db2.gz HTKXWWNFKLENDU-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000015911163 556065172 /nfs/dbraw/zinc/06/51/72/556065172.db2.gz MGQHZNOJOMKWEW-UHFFFAOYSA-N -1 0 488.613 5.983 50 0 JKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000015911206 556065193 /nfs/dbraw/zinc/06/51/93/556065193.db2.gz VOVVDPIMAKMRFI-UHFFFAOYSA-N -1 0 474.630 6.343 50 0 JKAARM O=C([O-])CSCC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000012577809 556076656 /nfs/dbraw/zinc/07/66/56/556076656.db2.gz LCPZJWYOAFAOBO-UHFFFAOYSA-N -1 0 474.607 5.828 50 0 JKAARM O=C(NC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000012579106 556077667 /nfs/dbraw/zinc/07/76/67/556077667.db2.gz WDVXYCVNBYUZIB-UHFFFAOYSA-N -1 0 498.388 5.060 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)CSc2ccc(C)cc2C)c1 ZINC000012583561 556080936 /nfs/dbraw/zinc/08/09/36/556080936.db2.gz GFVWQVZGERHWDN-UHFFFAOYSA-N -1 0 470.616 5.152 50 0 JKAARM CCOC(=O)c1cc(CC)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000012622707 556092030 /nfs/dbraw/zinc/09/20/30/556092030.db2.gz APYRXKQYQUPFFM-UHFFFAOYSA-N -1 0 488.616 5.036 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(\CCC(=O)[O-])c3nc4ccccc4s3)cc2)cc1 ZINC000012622189 556092090 /nfs/dbraw/zinc/09/20/90/556092090.db2.gz KPUBVNLDWYJCGU-LTGZKZEYSA-N -1 0 473.550 6.067 50 0 JKAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000012656288 556099096 /nfs/dbraw/zinc/09/90/96/556099096.db2.gz VHGHQPVYSFVISC-OAQYLSRUSA-N -1 0 453.516 5.038 50 0 biogenic JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)cc1 ZINC000012661551 556101366 /nfs/dbraw/zinc/10/13/66/556101366.db2.gz YAHGOSRWKWIBRM-UIFZEWBQSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Oc2ccc(Cl)c(Cl)c2)cc1 ZINC000012767555 556110041 /nfs/dbraw/zinc/11/00/41/556110041.db2.gz HQZANCLEXFXTJH-UHFFFAOYSA-N -1 0 490.368 5.928 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000012819770 556115606 /nfs/dbraw/zinc/11/56/06/556115606.db2.gz WNOADIWHQLPKLR-UHFFFAOYSA-N -1 0 476.455 5.201 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000016035508 556118950 /nfs/dbraw/zinc/11/89/50/556118950.db2.gz TXYDPLRNBRCLDD-UHFFFAOYSA-N -1 0 472.994 5.699 50 0 JKAARM COc1ccc(Br)cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000016035783 556119666 /nfs/dbraw/zinc/11/96/66/556119666.db2.gz CYMVYLLLPOXKSZ-OQLLNIDSSA-N -1 0 467.728 5.379 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000016045099 556125929 /nfs/dbraw/zinc/12/59/29/556125929.db2.gz BGJXUQSQBMUKKG-XSEIIIHRSA-N -1 0 481.392 6.682 50 0 JKAARM CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)c1 ZINC000024193203 556126282 /nfs/dbraw/zinc/12/62/82/556126282.db2.gz UCIDYIFZFJWEHO-NRFANRHFSA-N -1 0 487.936 5.209 50 0 JKAARM CCc1cccc(C)c1Nc1nc2cc(OC)ccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000016162369 556127765 /nfs/dbraw/zinc/12/77/65/556127765.db2.gz VCNFHJIATSQFFE-UHFFFAOYSA-N -1 0 482.993 5.707 50 0 JKAARM Cn1c(SCc2cc(=O)oc3cc([O-])c(Cl)cc23)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012974858 556166905 /nfs/dbraw/zinc/16/69/05/556166905.db2.gz WTMAARZEBHXFPG-UHFFFAOYSA-N -1 0 455.967 5.537 50 0 JKAARM C[C@@H](NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)c1cccc2ccccc21 ZINC000012976499 556168976 /nfs/dbraw/zinc/16/89/76/556168976.db2.gz XREILFJKVANKCE-LLVKDONJSA-N -1 0 491.425 5.735 50 0 JKAARM C[C@H](NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)c1cccc2ccccc21 ZINC000012976501 556169430 /nfs/dbraw/zinc/16/94/30/556169430.db2.gz XREILFJKVANKCE-NSHDSACASA-N -1 0 491.425 5.735 50 0 JKAARM O=C([O-])c1sc2cccc(F)c2c1CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000012985884 556179945 /nfs/dbraw/zinc/17/99/45/556179945.db2.gz NBSKFBYPSVLQFN-UHFFFAOYSA-N -1 0 464.547 6.106 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000016955719 556186933 /nfs/dbraw/zinc/18/69/33/556186933.db2.gz RLXPARQICZHROT-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000016956579 556187292 /nfs/dbraw/zinc/18/72/92/556187292.db2.gz KLZVDFGMNHASJV-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000025783399 556235303 /nfs/dbraw/zinc/23/53/03/556235303.db2.gz AREGUKFAPOBHGQ-NDEPHWFRSA-N -1 0 479.532 6.013 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000017206330 556240666 /nfs/dbraw/zinc/24/06/66/556240666.db2.gz QCOAZRPPSWLHGH-UHFFFAOYSA-N -1 0 491.317 5.215 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2Cl)cc1C ZINC000017207849 556241094 /nfs/dbraw/zinc/24/10/94/556241094.db2.gz FIYPRWSIJSKSEJ-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)c1 ZINC000017208054 556241413 /nfs/dbraw/zinc/24/14/13/556241413.db2.gz FQLCXYFCCZSNKW-UHFFFAOYSA-N -1 0 497.418 5.862 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 ZINC000017208152 556241571 /nfs/dbraw/zinc/24/15/71/556241571.db2.gz QXOBHTOYKFWYDO-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccc(Cl)cc2)ccc1NC(C)=O ZINC000013040621 556244215 /nfs/dbraw/zinc/24/42/15/556244215.db2.gz XNWXHULSNDEHTP-UHFFFAOYSA-N -1 0 481.357 5.554 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2F)cc1 ZINC000017246500 556246530 /nfs/dbraw/zinc/24/65/30/556246530.db2.gz AODMTUFJLJAUML-UHFFFAOYSA-N -1 0 487.354 5.384 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000017250240 556247814 /nfs/dbraw/zinc/24/78/14/556247814.db2.gz KZPSKSKMBVNPBC-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000017251405 556247816 /nfs/dbraw/zinc/24/78/16/556247816.db2.gz NYRZDZMIYAHNPL-UHFFFAOYSA-N -1 0 496.592 6.062 50 0 JKAARM O=C1C[C@H](c2ccco2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000017251039 556247925 /nfs/dbraw/zinc/24/79/25/556247925.db2.gz QNAGJSOPTVLJRS-MRXNPFEDSA-N -1 0 467.916 5.990 50 0 JKAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000017252133 556248328 /nfs/dbraw/zinc/24/83/28/556248328.db2.gz LEQWROYJUQRYGF-UHFFFAOYSA-N -1 0 498.992 5.462 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000017315618 556257773 /nfs/dbraw/zinc/25/77/73/556257773.db2.gz XMLHGUSSIADNPP-UHFFFAOYSA-N -1 0 480.634 5.457 50 0 JKAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000013068681 556265024 /nfs/dbraw/zinc/26/50/24/556265024.db2.gz GYZDSVUNRVXIRB-SFHVURJKSA-N -1 0 489.380 5.283 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027490454 556280526 /nfs/dbraw/zinc/28/05/26/556280526.db2.gz BEJYQTJLZAEUIB-UHFFFAOYSA-N -1 0 499.017 5.123 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ncnc2sc(-c3ccccc3)cc21 ZINC000013117856 556329594 /nfs/dbraw/zinc/32/95/94/556329594.db2.gz FYUOTLWWCBLSRG-UHFFFAOYSA-N -1 0 490.404 5.320 50 0 JKAARM O=C([N-]c1nc(-c2ccc(Br)o2)ns1)c1cc(-c2ccc(Br)cc2)on1 ZINC000028293765 556329561 /nfs/dbraw/zinc/32/95/61/556329561.db2.gz JPLVURYCYNOBDP-UHFFFAOYSA-N -1 0 496.140 5.230 50 0 JKAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H](SCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000013118750 556331103 /nfs/dbraw/zinc/33/11/03/556331103.db2.gz AWQHPRFWKZEPNG-FQEVSTJZSA-N -1 0 467.465 5.279 50 0 JKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(Br)cc21 ZINC000028356698 556332270 /nfs/dbraw/zinc/33/22/70/556332270.db2.gz RDNGZPXDKVCYIK-ONEGZZNKSA-N -1 0 489.152 7.433 50 0 JKAARM O=C([N-]c1nc(-c2ccc(Br)o2)ns1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028405300 556332975 /nfs/dbraw/zinc/33/29/75/556332975.db2.gz FRZVBOFNZKYKIH-UHFFFAOYSA-N -1 0 451.689 5.121 50 0 JKAARM COc1ccc(NC(=O)Cc2cccs2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028495247 556334634 /nfs/dbraw/zinc/33/46/34/556334634.db2.gz HEBFCZMGDJXYOD-UHFFFAOYSA-N -1 0 471.387 5.046 50 0 JKAARM Cc1nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)sc1-c1ccccc1 ZINC000029913484 556360379 /nfs/dbraw/zinc/36/03/79/556360379.db2.gz XSLJFUPJTDNGCI-UHFFFAOYSA-N -1 0 455.586 5.233 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000031158038 556393025 /nfs/dbraw/zinc/39/30/25/556393025.db2.gz RWNHLTKFBKYDOJ-DDHMHSPCSA-N -1 0 488.709 5.177 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000031519767 556398576 /nfs/dbraw/zinc/39/85/76/556398576.db2.gz MIJYXULNPSFWEK-LHRKPGMOSA-N -1 0 456.711 7.234 50 0 biogenic,in-vitro JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000032073665 556413539 /nfs/dbraw/zinc/41/35/39/556413539.db2.gz LGCOMLXNYITNRK-JOCHJYFZSA-N -1 0 454.891 5.005 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000032073636 556413578 /nfs/dbraw/zinc/41/35/78/556413578.db2.gz WGPHXVMORCHCHO-JOCHJYFZSA-N -1 0 499.342 5.114 50 0 JKAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032087851 556414224 /nfs/dbraw/zinc/41/42/24/556414224.db2.gz RTBVJCXWIPNTGM-HXUWFJFHSA-N -1 0 452.769 5.072 50 0 JKAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032093172 556414864 /nfs/dbraw/zinc/41/48/64/556414864.db2.gz SUTFQUJUVUQIOR-HXUWFJFHSA-N -1 0 497.220 5.181 50 0 JKAARM O=C([N-]c1nc(-c2ccc(Br)s2)ns1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032593571 556448003 /nfs/dbraw/zinc/44/80/03/556448003.db2.gz RPVQCXCITGUSTD-UHFFFAOYSA-N -1 0 467.757 5.590 50 0 JKAARM Cc1cc(C)cc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948453 556563900 /nfs/dbraw/zinc/56/39/00/556563900.db2.gz MFKRZFZFSOTHLF-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM Cc1ccc(C)c(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948457 556563938 /nfs/dbraw/zinc/56/39/38/556563938.db2.gz DYEJWXIRLMLVTD-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948607 556564380 /nfs/dbraw/zinc/56/43/80/556564380.db2.gz JPNGALMDYWRTTM-UHFFFAOYSA-N -1 0 468.629 5.106 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C(C)C)cc4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948651 556564520 /nfs/dbraw/zinc/56/45/20/556564520.db2.gz FYQYDMTWKRDUKI-UHFFFAOYSA-N -1 0 482.656 5.667 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4c(C)cccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948655 556564626 /nfs/dbraw/zinc/56/46/26/556564626.db2.gz BYXVPQOCYVBWNY-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)N[C@H](C)CCc4ccccc4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948640 556564696 /nfs/dbraw/zinc/56/46/96/556564696.db2.gz CQHYYMNXBVOLIR-MRXNPFEDSA-N -1 0 496.683 5.043 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000248331985 560036545 /nfs/dbraw/zinc/03/65/45/560036545.db2.gz IAWGZKRQDHPFCZ-YSQGCGPUSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000248331842 560036548 /nfs/dbraw/zinc/03/65/48/560036548.db2.gz IAWGZKRQDHPFCZ-HVTUOCALSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-] ZINC000248331839 560036549 /nfs/dbraw/zinc/03/65/49/560036549.db2.gz IAWGZKRQDHPFCZ-AMSLWKJMSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000039560123 560085861 /nfs/dbraw/zinc/08/58/61/560085861.db2.gz RWNHLTKFBKYDOJ-UFYILQQBSA-N -1 0 488.709 5.177 50 0 biogenic,in-vitro JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)c(Nc3cc(Cl)ccc3OC)nc2c1 ZINC000008603787 562946049 /nfs/dbraw/zinc/94/60/49/562946049.db2.gz CMBHEFNDQOSUGC-UHFFFAOYSA-N -1 0 484.965 5.153 50 0 JKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000008605386 562946690 /nfs/dbraw/zinc/94/66/90/562946690.db2.gz KLYFGZAHLNPYCZ-UHFFFAOYSA-N -1 0 465.980 5.363 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000008680004 562950747 /nfs/dbraw/zinc/95/07/47/562950747.db2.gz MIJYXULNPSFWEK-JZQYXDLISA-N -1 0 456.711 7.234 50 0 biogenic,in-vitro JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000008686971 562953165 /nfs/dbraw/zinc/95/31/65/562953165.db2.gz XWAUCQGRYNYIOT-UHFFFAOYSA-N -1 0 467.547 5.311 50 0 aggregator JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000055398668 563206042 /nfs/dbraw/zinc/20/60/42/563206042.db2.gz JXSVIVRDWWRQRT-YFXOOYAQSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962125 569602830 /nfs/dbraw/zinc/60/28/30/569602830.db2.gz JNJGMCGGGDCWJK-UHFFFAOYSA-N -1 0 458.624 5.860 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000032962150 569602844 /nfs/dbraw/zinc/60/28/44/569602844.db2.gz AMQCKPZETWSRKY-UHFFFAOYSA-N -1 0 466.603 5.609 50 0 JKAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000032962046 569602867 /nfs/dbraw/zinc/60/28/67/569602867.db2.gz XEIJYHFYANWTAS-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000032962136 569602893 /nfs/dbraw/zinc/60/28/93/569602893.db2.gz ZKAVPYSREBMJHF-UHFFFAOYSA-N -1 0 458.624 5.183 50 0 JKAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962132 569602896 /nfs/dbraw/zinc/60/28/96/569602896.db2.gz VDIOPLKVSVTPJD-UHFFFAOYSA-N -1 0 486.678 6.352 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000032962161 569603019 /nfs/dbraw/zinc/60/30/19/569603019.db2.gz KMBCIARVEBSHPO-UHFFFAOYSA-N -1 0 494.657 6.290 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962164 569603032 /nfs/dbraw/zinc/60/30/32/569603032.db2.gz QSFDDIBXSSIUAY-UHFFFAOYSA-N -1 0 480.586 5.195 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000032971201 569603720 /nfs/dbraw/zinc/60/37/20/569603720.db2.gz YXXVEYLWDIOSGY-UHFFFAOYSA-N -1 0 494.657 6.191 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000032971204 569603804 /nfs/dbraw/zinc/60/38/04/569603804.db2.gz XXLOVSAUFMJGCH-UHFFFAOYSA-N -1 0 480.586 5.195 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000032971203 569603820 /nfs/dbraw/zinc/60/38/20/569603820.db2.gz PGHHBBAWNVICPA-UHFFFAOYSA-N -1 0 470.566 5.440 50 0 JKAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059478028 569604909 /nfs/dbraw/zinc/60/49/09/569604909.db2.gz UQWUMXVDXAFAAL-HOTGVXAUSA-N -1 0 461.008 6.072 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5c(cc(Cl)cc5Cl)s4)sc3c2s1 ZINC000062007436 569610304 /nfs/dbraw/zinc/61/03/04/569610304.db2.gz MYDHYVVAKOIFSC-UHFFFAOYSA-N -1 0 455.442 7.288 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000062606621 569613034 /nfs/dbraw/zinc/61/30/34/569613034.db2.gz DDURXVRCWSBTPV-UHFFFAOYSA-N -1 0 496.427 5.057 50 0 JKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)Nc3ccc(F)cc3Cl)s2)c1 ZINC000032999082 569613417 /nfs/dbraw/zinc/61/34/17/569613417.db2.gz VHBOPAVTLMRBTJ-UHFFFAOYSA-N -1 0 452.960 5.139 50 0 JKAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007338 569615360 /nfs/dbraw/zinc/61/53/60/569615360.db2.gz BOSLJZYUWCNBDT-UHFFFAOYSA-N -1 0 478.614 5.207 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1C ZINC000033007410 569615370 /nfs/dbraw/zinc/61/53/70/569615370.db2.gz ILAFWNNISKAKOI-UHFFFAOYSA-N -1 0 492.641 5.570 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033007658 569615598 /nfs/dbraw/zinc/61/55/98/569615598.db2.gz UUPVUEQVNDAHDQ-UHFFFAOYSA-N -1 0 473.963 5.011 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007832 569615629 /nfs/dbraw/zinc/61/56/29/569615629.db2.gz YPQNXVUNQUQPSY-UHFFFAOYSA-N -1 0 463.993 5.373 50 0 JKAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 ZINC000033010249 569616749 /nfs/dbraw/zinc/61/67/49/569616749.db2.gz GLWLQGGPYUPUEW-UHFFFAOYSA-N -1 0 456.340 5.184 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CCCC5)ccc4n3)CC2)c1C ZINC000033010444 569616827 /nfs/dbraw/zinc/61/68/27/569616827.db2.gz IVLMMBIVGSVTAZ-UHFFFAOYSA-N -1 0 472.589 5.005 50 0 JKAARM CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000064557676 569618248 /nfs/dbraw/zinc/61/82/48/569618248.db2.gz ORMUJCVLICMATJ-QFIPXVFZSA-N -1 0 467.974 5.542 50 0 JKAARM CCc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557936 569618275 /nfs/dbraw/zinc/61/82/75/569618275.db2.gz SMQXDEDUWBAPGZ-OAQYLSRUSA-N -1 0 498.398 5.343 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064558233 569618527 /nfs/dbraw/zinc/61/85/27/569618527.db2.gz SLIBEXSUXLQZKS-HSZRJFAPSA-N -1 0 482.001 6.103 50 0 JKAARM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064558196 569618533 /nfs/dbraw/zinc/61/85/33/569618533.db2.gz USGQHUAYGNKLCD-QFIPXVFZSA-N -1 0 467.974 5.542 50 0 JKAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589405 569620925 /nfs/dbraw/zinc/62/09/25/569620925.db2.gz ALSXDUVWKWFPNB-UHFFFAOYSA-N -1 0 479.964 5.016 50 0 JKAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589443 569621022 /nfs/dbraw/zinc/62/10/22/569621022.db2.gz SOHKAPDYSGMCCD-UHFFFAOYSA-N -1 0 467.928 5.065 50 0 JKAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)CC1 ZINC000064590288 569621306 /nfs/dbraw/zinc/62/13/06/569621306.db2.gz XCBLMUVYZQIYMG-UHFFFAOYSA-N -1 0 479.964 5.016 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3ccc(Cl)cc3)n2)cc1)c1ccccc1 ZINC000033414081 569626106 /nfs/dbraw/zinc/62/61/06/569626106.db2.gz DIDFAXPJFUWZLH-FLIBITNWSA-N -1 0 490.972 5.354 50 0 JKAARM O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000033424128 569626255 /nfs/dbraw/zinc/62/62/55/569626255.db2.gz FCGRHEARLRJNBY-CIAFOILYSA-N -1 0 465.914 5.858 50 0 JKAARM CCOc1cc(/C=C2\S/C(=N\c3ccc4ccccc4c3)NC2=O)cc(Cl)c1OCC(=O)[O-] ZINC000033457439 569626445 /nfs/dbraw/zinc/62/64/45/569626445.db2.gz ACGNBGCZLANJSP-JAIQZWGSSA-N -1 0 482.945 5.247 50 0 JKAARM Cc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000033451819 569626483 /nfs/dbraw/zinc/62/64/83/569626483.db2.gz PWOZTBKJWASBOC-JWMGBEPHSA-N -1 0 485.609 6.339 50 0 JKAARM CCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000033455668 569626518 /nfs/dbraw/zinc/62/65/18/569626518.db2.gz PBVJYDNPVDFSBW-SDQBBNPISA-N -1 0 488.154 6.596 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)c1 ZINC000064774682 569626843 /nfs/dbraw/zinc/62/68/43/569626843.db2.gz RJCMMGSKPFROHB-UHFFFAOYSA-N -1 0 499.596 5.153 50 0 JKAARM Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000064774681 569626863 /nfs/dbraw/zinc/62/68/63/569626863.db2.gz ZQMOXDVLUHLWOI-UHFFFAOYSA-N -1 0 499.596 5.153 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000033492548 569626980 /nfs/dbraw/zinc/62/69/80/569626980.db2.gz BGJXUQSQBMUKKG-FYEXEBAFSA-N -1 0 481.392 6.682 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000064774714 569627055 /nfs/dbraw/zinc/62/70/55/569627055.db2.gz USCCSDNRROWFLD-LJQANCHMSA-N -1 0 479.606 5.027 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000064774709 569627077 /nfs/dbraw/zinc/62/70/77/569627077.db2.gz DGOZXZWVMZKRQA-SFHVURJKSA-N -1 0 485.997 5.064 50 0 JKAARM CCCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795284 569629949 /nfs/dbraw/zinc/62/99/49/569629949.db2.gz NFXSPECZUDWDNS-KRWDZBQOSA-N -1 0 451.544 5.775 50 0 JKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1OCC ZINC000064795688 569630051 /nfs/dbraw/zinc/63/00/51/569630051.db2.gz GDHSRHBZOYFUAH-MRXNPFEDSA-N -1 0 471.962 6.038 50 0 JKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC(C)C ZINC000064795401 569630064 /nfs/dbraw/zinc/63/00/64/569630064.db2.gz SPNTXVJGQPTWOK-QGZVFWFLSA-N -1 0 451.544 5.773 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC(C)C ZINC000064795398 569630074 /nfs/dbraw/zinc/63/00/74/569630074.db2.gz SPNTXVJGQPTWOK-KRWDZBQOSA-N -1 0 451.544 5.773 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000064795704 569630075 /nfs/dbraw/zinc/63/00/75/569630075.db2.gz KELDEWCYLZFMGC-CQSZACIVSA-N -1 0 473.934 5.267 50 0 JKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)ccc1OC ZINC000064795680 569630080 /nfs/dbraw/zinc/63/00/80/569630080.db2.gz APAGFDKXMXOUSU-OAHLLOKOSA-N -1 0 457.935 5.648 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cc(Br)ccc1F ZINC000064796519 569630139 /nfs/dbraw/zinc/63/01/39/569630139.db2.gz XBTANMKIGDDRHC-CYBMUJFWSA-N -1 0 464.287 5.628 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC(C)C ZINC000064796500 569630160 /nfs/dbraw/zinc/63/01/60/569630160.db2.gz TWGOZHSZYROBHP-MRXNPFEDSA-N -1 0 455.507 5.522 50 0 JKAARM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796342 569630168 /nfs/dbraw/zinc/63/01/68/569630168.db2.gz OLHIWFXTNSUMLZ-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM CCCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796352 569630178 /nfs/dbraw/zinc/63/01/78/569630178.db2.gz OAXXQNBJRHLLPY-QGZVFWFLSA-N -1 0 469.534 5.914 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1OC(C)C ZINC000064796138 569630186 /nfs/dbraw/zinc/63/01/86/569630186.db2.gz XVBXCLZQGMDXAT-KRWDZBQOSA-N -1 0 451.544 5.692 50 0 JKAARM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796345 569630191 /nfs/dbraw/zinc/63/01/91/569630191.db2.gz OLHIWFXTNSUMLZ-MRXNPFEDSA-N -1 0 455.507 5.524 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(Br)ccc2F)CC(=O)N3)cc1 ZINC000064797027 569630262 /nfs/dbraw/zinc/63/02/62/569630262.db2.gz HFMYYSIYXUHCLP-CQSZACIVSA-N -1 0 476.323 5.498 50 0 JKAARM CCCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC ZINC000064796571 569630272 /nfs/dbraw/zinc/63/02/72/569630272.db2.gz ILWVQGBHFBQWIE-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC(C)C)c(OC)c2)CC(=O)N3)cc1 ZINC000064796976 569630273 /nfs/dbraw/zinc/63/02/73/569630273.db2.gz UZRZWLSPLMUETB-KRWDZBQOSA-N -1 0 467.543 5.392 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(Br)c2)CC(=O)N3)cc1 ZINC000064797029 569630276 /nfs/dbraw/zinc/63/02/76/569630276.db2.gz DHQAEBRDGIHBSP-HNNXBMFYSA-N -1 0 458.333 5.359 50 0 JKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1OCC ZINC000064796914 569630288 /nfs/dbraw/zinc/63/02/88/569630288.db2.gz RCFZJSYGXMGFRP-KRWDZBQOSA-N -1 0 467.543 5.393 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC)c(Br)c2)CC(=O)N3)cc1 ZINC000064797094 569630293 /nfs/dbraw/zinc/63/02/93/569630293.db2.gz YCLOBNQHEORKRS-AWEZNQCLSA-N -1 0 488.359 5.367 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000064797035 569630296 /nfs/dbraw/zinc/63/02/96/569630296.db2.gz PQHPSSBQZFBMMU-OAHLLOKOSA-N -1 0 458.333 5.359 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1Br ZINC000064797668 569630384 /nfs/dbraw/zinc/63/03/84/569630384.db2.gz YBQHSICJXBOBEG-ZDUSSCGKSA-N -1 0 476.323 5.498 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)N3)cc1 ZINC000064797226 569630409 /nfs/dbraw/zinc/63/04/09/569630409.db2.gz JLDHFLNJSGVHEB-KRWDZBQOSA-N -1 0 467.543 5.392 50 0 JKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC ZINC000064797437 569630410 /nfs/dbraw/zinc/63/04/10/569630410.db2.gz VVAUKIYOFNNOCP-QGZVFWFLSA-N -1 0 469.534 5.914 50 0 JKAARM CCCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OC ZINC000064797761 569630520 /nfs/dbraw/zinc/63/05/20/569630520.db2.gz ZUJPVHXIYKEVCY-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 ZINC000064802189 569631877 /nfs/dbraw/zinc/63/18/77/569631877.db2.gz XPTBVLYDQWUMCG-UHFFFAOYSA-N -1 0 481.622 5.391 50 0 JKAARM CC(=O)N1N=C(c2cccc3ccccc32)O[C@@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000064819792 569636085 /nfs/dbraw/zinc/63/60/85/569636085.db2.gz MTOPTCHUAZAZMT-HXUWFJFHSA-N -1 0 490.151 5.310 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000064843417 569637992 /nfs/dbraw/zinc/63/79/92/569637992.db2.gz ATXYCIKUKLXZJO-UHFFFAOYSA-N -1 0 467.591 5.004 50 0 JKAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c1 ZINC000064845880 569638532 /nfs/dbraw/zinc/63/85/32/569638532.db2.gz KIGPWJCQDHDVRW-UHFFFAOYSA-N -1 0 450.582 5.235 50 0 JKAARM Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737717 569654537 /nfs/dbraw/zinc/65/45/37/569654537.db2.gz QLZOBOPADSOTBB-UHFFFAOYSA-N -1 0 487.984 5.421 50 0 JKAARM O=C1N(Cc2ccccc2Cl)CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000034737606 569654547 /nfs/dbraw/zinc/65/45/47/569654547.db2.gz CAGIAZMWNBZYDE-UHFFFAOYSA-N -1 0 490.412 5.627 50 0 JKAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)cs1 ZINC000065117089 569667011 /nfs/dbraw/zinc/66/70/11/569667011.db2.gz ASMLOAMTLUCMCY-UHFFFAOYSA-N -1 0 475.661 5.169 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)sc1C(=O)N1CCCCC1 ZINC000065117069 569667034 /nfs/dbraw/zinc/66/70/34/569667034.db2.gz UMENBEBCBFFDJP-UHFFFAOYSA-N -1 0 482.052 5.260 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)sc1C(=O)N1CCCCC1 ZINC000065117076 569667107 /nfs/dbraw/zinc/66/71/07/569667107.db2.gz XBHKKFPRYDNOOH-UHFFFAOYSA-N -1 0 496.079 5.569 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000035199387 569678156 /nfs/dbraw/zinc/67/81/56/569678156.db2.gz DYWADYLSDWXVEG-DURBRWELSA-N -1 0 476.532 5.068 50 0 JKAARM O=C([O-])c1ccc2c(c1)C(=O)OC21c2ccc3cc(O)ccc3c2Oc2c3ccc(O)cc3ccc21 ZINC000071769103 569697680 /nfs/dbraw/zinc/69/76/80/569697680.db2.gz YBLABNVFNMZBGY-UHFFFAOYSA-N -1 0 476.440 5.670 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000071924249 569699250 /nfs/dbraw/zinc/69/92/50/569699250.db2.gz DGSHAEZJBAAFEO-XMMPIXPASA-N -1 0 484.581 5.533 50 0 JKAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@]2(O)C(=O)[O-] ZINC000072332350 569702980 /nfs/dbraw/zinc/70/29/80/569702980.db2.gz BUTZQISUUIVKIG-GYZWWNDVSA-N -1 0 491.950 5.585 50 0 JKAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557436 569703325 /nfs/dbraw/zinc/70/33/25/569703325.db2.gz BWHNWTBMPGSTCQ-UHFFFAOYSA-N -1 0 472.361 5.158 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(/CC(=O)[O-])c3nc4ccccc4s3)cc2)cc1 ZINC000082067497 569707982 /nfs/dbraw/zinc/70/79/82/569707982.db2.gz QZHWFJAFLDPYJN-ZHZULCJRSA-N -1 0 459.523 5.677 50 0 JKAARM COc1ccc(-c2cc(Nc3ccc([N-]S(=O)(=O)c4cccc(Cl)c4Cl)cc3)on2)cc1 ZINC000085392037 569709906 /nfs/dbraw/zinc/70/99/06/569709906.db2.gz KMKYEAWBPVTVBL-UHFFFAOYSA-N -1 0 490.368 6.201 50 0 JKAARM O=C([O-])c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000089629954 569719293 /nfs/dbraw/zinc/71/92/93/569719293.db2.gz IPCWVRAYBZXUMM-UHFFFAOYSA-N -1 0 451.788 5.888 50 0 JKAARM O=C([O-])[C@@H](CCc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749166 569728741 /nfs/dbraw/zinc/72/87/41/569728741.db2.gz WSAZRJANUJZPLG-HSZRJFAPSA-N -1 0 469.459 5.630 50 0 JKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(-c2ccccc2)cc1 ZINC000095750631 569728879 /nfs/dbraw/zinc/72/88/79/569728879.db2.gz BAFGGIURIPOBEL-DEOSSOPVSA-N -1 0 477.560 6.136 50 0 JKAARM COC(=O)C[C@H](c1ccc(SC)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114371 569733405 /nfs/dbraw/zinc/73/34/05/569733405.db2.gz CJLAJKFBCNUJNU-HXUWFJFHSA-N -1 0 462.523 5.288 50 0 biogenic JKAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1OC(C)C ZINC000096115149 569733978 /nfs/dbraw/zinc/73/39/78/569733978.db2.gz YZXBTMHCCWNJNH-SFHVURJKSA-N -1 0 488.492 5.108 50 0 biogenic JKAARM COC(=O)C[C@H](c1cccc2cccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115492 569734426 /nfs/dbraw/zinc/73/44/26/569734426.db2.gz LHEPERQVSXBCQN-LJQANCHMSA-N -1 0 467.477 5.114 50 0 biogenic JKAARM COC(=O)C[C@@H](c1cccc2cccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115491 569734472 /nfs/dbraw/zinc/73/44/72/569734472.db2.gz LHEPERQVSXBCQN-IBGZPJMESA-N -1 0 467.477 5.114 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(Br)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115395 569734495 /nfs/dbraw/zinc/73/44/95/569734495.db2.gz KRACXGHKYZFEMC-IBGZPJMESA-N -1 0 495.325 5.329 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116034 569735146 /nfs/dbraw/zinc/73/51/46/569735146.db2.gz RBDXOBILZBRSAO-HXUWFJFHSA-N -1 0 458.510 5.690 50 0 biogenic JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cc(-c3cc(Cl)ccc3O)n2)cc1 ZINC000096581191 569741824 /nfs/dbraw/zinc/74/18/24/569741824.db2.gz LJSSFFBHFJNXMJ-UHFFFAOYSA-N -1 0 451.935 5.279 50 0 JKAARM COc1ccc(/C=C2\SC(=O)N(CCCCCC(=O)Nc3cccc(C(=O)[O-])c3)C2=S)cc1 ZINC000096602128 569742520 /nfs/dbraw/zinc/74/25/20/569742520.db2.gz KATBPLSCDFKOTM-ZHZULCJRSA-N -1 0 484.599 5.430 50 0 JKAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072710 569750255 /nfs/dbraw/zinc/75/02/55/569750255.db2.gz CGDBRGMHXBOTPE-UHFFFAOYSA-N -1 0 482.627 5.941 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000100426034 569760196 /nfs/dbraw/zinc/76/01/96/569760196.db2.gz AQURXAZLEXEGHY-KCWXNJEJSA-N -1 0 481.552 5.805 50 0 JKAARM CC(C)CCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100470855 569761722 /nfs/dbraw/zinc/76/17/22/569761722.db2.gz SHJMHNLRAPRDOL-UHFFFAOYSA-N -1 0 491.657 5.930 50 0 JKAARM CC(C)CCn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c([O-])c2ccccc21 ZINC000100459822 569761751 /nfs/dbraw/zinc/76/17/51/569761751.db2.gz WVWHHRUAOWNRIQ-UHFFFAOYSA-N -1 0 486.391 5.378 50 0 JKAARM CCCCSc1nnc2c(n1)O[C@@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccccc1-2 ZINC000100524985 569763657 /nfs/dbraw/zinc/76/36/57/569763657.db2.gz CXINGIIRSSPNSH-NRFANRHFSA-N -1 0 460.563 5.134 50 0 JKAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000100637246 569765913 /nfs/dbraw/zinc/76/59/13/569765913.db2.gz DOMKDVRQFVLOLZ-LUFNOOMBSA-N -1 0 491.381 5.255 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c([O-])c2ccccc21 ZINC000100658487 569766264 /nfs/dbraw/zinc/76/62/64/569766264.db2.gz DJLJZEQWXGPICH-UHFFFAOYSA-N -1 0 455.967 5.803 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([O-])c2ccccc21 ZINC000100689762 569766974 /nfs/dbraw/zinc/76/69/74/569766974.db2.gz TYJWBVRKSVKTAU-UHFFFAOYSA-N -1 0 482.005 6.317 50 0 JKAARM Cc1cccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c1C ZINC000100721375 569767666 /nfs/dbraw/zinc/76/76/66/569767666.db2.gz PISVECFSJKJLAU-LSYYVWMOSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000100721615 569767786 /nfs/dbraw/zinc/76/77/86/569767786.db2.gz DARHRRKLYKFAEK-NAKRPHOHSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000100751421 569768861 /nfs/dbraw/zinc/76/88/61/569768861.db2.gz XLHJIUNOROWIIV-DEOSSOPVSA-N -1 0 494.580 5.534 50 0 JKAARM CN1c2ccc(Br)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036353713 569771392 /nfs/dbraw/zinc/77/13/92/569771392.db2.gz OHHRUKBAVOXFOX-JOCHJYFZSA-N -1 0 483.343 5.130 50 0 JKAARM CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)C1=O ZINC000036357210 569771796 /nfs/dbraw/zinc/77/17/96/569771796.db2.gz VFUISXONZZIVHL-QFIPXVFZSA-N -1 0 473.337 5.025 50 0 JKAARM CCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000100858357 569772644 /nfs/dbraw/zinc/77/26/44/569772644.db2.gz FXHOCRRWCWJAMM-UHFFFAOYSA-N -1 0 476.385 6.066 50 0 JKAARM O=c1nc(-c2cc(Br)cs2)[n-]c2c1sc1nc(C(F)F)cc(-c3ccccc3)c12 ZINC000036611353 569777569 /nfs/dbraw/zinc/77/75/69/569777569.db2.gz FWQSZMOXFAECKV-UHFFFAOYSA-N -1 0 490.354 7.041 50 0 JKAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101075699 569781621 /nfs/dbraw/zinc/78/16/21/569781621.db2.gz NBSIFAFFMWLLEO-OCEACIFDSA-N -1 0 467.569 5.054 50 0 JKAARM COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000101178239 569786288 /nfs/dbraw/zinc/78/62/88/569786288.db2.gz TXGYZICECONAGD-IIMAJNMQSA-N -1 0 496.563 6.110 50 0 JKAARM COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000101346984 569793990 /nfs/dbraw/zinc/79/39/90/569793990.db2.gz YYSYYYQVAGAAIC-WSDLNYQXSA-N -1 0 495.940 5.867 50 0 JKAARM O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1Br ZINC000038157678 569799560 /nfs/dbraw/zinc/79/95/60/569799560.db2.gz HXNBAOLVPAWYLT-OVCLIPMQSA-N -1 0 485.222 6.120 50 0 in-vitro JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3OCC)C2)c([O-])[nH]c1=S ZINC000101494673 569799804 /nfs/dbraw/zinc/79/98/04/569799804.db2.gz ZHMFZOBIERSYFX-OAQYLSRUSA-N -1 0 481.643 6.168 50 0 JKAARM COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=Nc2ccccc2S1 ZINC000101495515 569800315 /nfs/dbraw/zinc/80/03/15/569800315.db2.gz BHQSEACHWCSXQY-DEOSSOPVSA-N -1 0 499.592 5.215 50 0 JKAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=S ZINC000101495346 569800336 /nfs/dbraw/zinc/80/03/36/569800336.db2.gz XBDAMMUUZSEPLV-KRWDZBQOSA-N -1 0 488.432 5.279 50 0 JKAARM CC(C)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495292 569800342 /nfs/dbraw/zinc/80/03/42/569800342.db2.gz LSSZIPCLMDCACN-FQEVSTJZSA-N -1 0 451.617 5.640 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101495416 569800497 /nfs/dbraw/zinc/80/04/97/569800497.db2.gz GMOITWMBYZRVKJ-LJQANCHMSA-N -1 0 472.035 6.423 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101495597 569800742 /nfs/dbraw/zinc/80/07/42/569800742.db2.gz YGLXUJGHDGYASX-NRFANRHFSA-N -1 0 475.957 5.243 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000101501395 569800845 /nfs/dbraw/zinc/80/08/45/569800845.db2.gz KCWXJTZAXSXENJ-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)cc1 ZINC000101501284 569800900 /nfs/dbraw/zinc/80/09/00/569800900.db2.gz WBMXMTBQAXHOBW-UHFFFAOYSA-N -1 0 468.966 5.243 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101505304 569801154 /nfs/dbraw/zinc/80/11/54/569801154.db2.gz IGOUTKPXFZRCES-UHFFFAOYSA-N -1 0 458.465 5.210 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101517927 569801310 /nfs/dbraw/zinc/80/13/10/569801310.db2.gz LPICGENYYNKSJE-JOCHJYFZSA-N -1 0 477.977 5.097 50 0 JKAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766620 569804697 /nfs/dbraw/zinc/80/46/97/569804697.db2.gz WLQXIXYLOXQXRX-JOCHJYFZSA-N -1 0 477.586 5.114 50 0 JKAARM O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000101766674 569804810 /nfs/dbraw/zinc/80/48/10/569804810.db2.gz IBJVGOHBTUTGPR-IBGZPJMESA-N -1 0 453.589 5.167 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766862 569804917 /nfs/dbraw/zinc/80/49/17/569804917.db2.gz VBYBUFBSLQDQHN-NRFANRHFSA-N -1 0 493.947 5.382 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c([O-])[nH]c1=S ZINC000101767162 569805015 /nfs/dbraw/zinc/80/50/15/569805015.db2.gz SSSBEDKYTOEETK-IBGZPJMESA-N -1 0 453.589 5.475 50 0 JKAARM O=C(Nc1ccc(F)c(Cl)c1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828855 569805460 /nfs/dbraw/zinc/80/54/60/569805460.db2.gz ULEILVJUMGMPGW-UHFFFAOYSA-N -1 0 450.832 5.003 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1sc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)nc1C ZINC000101832401 569805552 /nfs/dbraw/zinc/80/55/52/569805552.db2.gz VAZFDWNOHXTYKN-UHFFFAOYSA-N -1 0 482.993 5.465 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1Cl ZINC000101833064 569805685 /nfs/dbraw/zinc/80/56/85/569805685.db2.gz QZQUKMFLLQOCDG-UHFFFAOYSA-N -1 0 456.930 5.374 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837582 569806235 /nfs/dbraw/zinc/80/62/35/569806235.db2.gz LDWRYPDYKSFDPD-NRFANRHFSA-N -1 0 495.967 5.236 50 0 JKAARM C[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000101913199 569807822 /nfs/dbraw/zinc/80/78/22/569807822.db2.gz FHUXCSWUJDKAFP-UZQPLGKSSA-N -1 0 463.327 5.470 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000102649104 569815046 /nfs/dbraw/zinc/81/50/46/569815046.db2.gz OXJLQCNZXKSALJ-WHLCRQNOSA-N -1 0 485.515 5.636 50 0 JKAARM CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040186603 569822959 /nfs/dbraw/zinc/82/29/59/569822959.db2.gz ULPCAXORIFXUMN-QHCPKHFHSA-N -1 0 467.562 5.271 50 0 JKAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000040566534 569830373 /nfs/dbraw/zinc/83/03/73/569830373.db2.gz FDXGPPBWOOAVEL-XMMPIXPASA-N -1 0 460.917 5.356 50 0 JKAARM O=C([O-])[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000040566533 569830380 /nfs/dbraw/zinc/83/03/80/569830380.db2.gz FDXGPPBWOOAVEL-DEOSSOPVSA-N -1 0 460.917 5.356 50 0 in-vitro JKAARM Cc1ccc(-n2[n-]c(-c3cccc(C)c3)c(-c3ccccc3NC(=O)c3ccc(Cl)cc3)c2=O)cc1 ZINC000103179534 569833603 /nfs/dbraw/zinc/83/36/03/569833603.db2.gz PKXAQYSOQOKPLM-UHFFFAOYSA-N -1 0 493.994 7.434 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3F)c(-c3ccc(NC(=O)c4cccc(F)c4)cc3)c2=O)c1 ZINC000103183509 569833612 /nfs/dbraw/zinc/83/36/12/569833612.db2.gz ALGKPNIEWACETH-UHFFFAOYSA-N -1 0 481.502 6.751 50 0 JKAARM Cc1ccc(C(=O)Nc2ccccc2-c2c(-c3cccc(C)c3)[n-]n(-c3ccc(C)cc3)c2=O)cc1 ZINC000103205128 569833753 /nfs/dbraw/zinc/83/37/53/569833753.db2.gz JXYFXAXQNRIBBF-UHFFFAOYSA-N -1 0 473.576 7.089 50 0 JKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OCC(=O)[O-] ZINC000043758232 569838440 /nfs/dbraw/zinc/83/84/40/569838440.db2.gz GFIJGEUKERLGTC-SLPNULABSA-N -1 0 460.699 6.468 50 0 JKAARM O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000045527569 569839960 /nfs/dbraw/zinc/83/99/60/569839960.db2.gz JNZFSOMOBBNTFQ-UHFFFAOYSA-N -1 0 492.582 5.445 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccc(Cl)cc3)C[C@H]2C)c1 ZINC000106407774 569854134 /nfs/dbraw/zinc/85/41/34/569854134.db2.gz VWKFWGCKORSFEI-GOSISDBHSA-N -1 0 463.965 5.314 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1CO[C@H]([C@H](C)C(=O)[O-])C[C@@H]1C ZINC000107850028 569857688 /nfs/dbraw/zinc/85/76/88/569857688.db2.gz PFAGZEWYROFOAJ-VKHGTFRZSA-N -1 0 465.634 6.070 50 0 JKAARM C=C(C)[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 ZINC000136302578 569864646 /nfs/dbraw/zinc/86/46/46/569864646.db2.gz QGJZLNKBHJESQX-GJFFIUGJSA-N -1 0 456.711 7.090 50 0 JKAARM COc1cccc2cc([C@@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170614140 569872973 /nfs/dbraw/zinc/87/29/73/569872973.db2.gz ZTMFGDBJRHICLO-SFHVURJKSA-N -1 0 472.328 5.093 50 0 JKAARM O=S(=O)([N-]c1ccccc1-c1nc(-c2cccs2)no1)c1ccc(-c2ccccc2)cc1 ZINC000170623682 569873191 /nfs/dbraw/zinc/87/31/91/569873191.db2.gz GZFRNOQVZKPDOP-UHFFFAOYSA-N -1 0 459.552 5.933 50 0 JKAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3cc(Br)ccc3O)C2)c([O-])o1 ZINC000198979402 569873939 /nfs/dbraw/zinc/87/39/39/569873939.db2.gz YDKIUKBWIGLLIQ-LJQANCHMSA-N -1 0 458.333 5.480 50 0 JKAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 ZINC000206872624 569874706 /nfs/dbraw/zinc/87/47/06/569874706.db2.gz ILEXVCSJLZOOQS-UHFFFAOYSA-N -1 0 462.503 5.238 50 0 JKAARM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1cc(Br)ccc1F ZINC000217512586 569880188 /nfs/dbraw/zinc/88/01/88/569880188.db2.gz ACHLOVZEXMQSIF-XMMPIXPASA-N -1 0 484.321 5.427 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000226325801 570037537 /nfs/dbraw/zinc/03/75/37/570037537.db2.gz CSBNJXPGMPRBHA-DFBJGRDBSA-N -1 0 494.931 5.306 50 0 biogenic JKAARM COc1ccc(Br)cc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000226773453 570038436 /nfs/dbraw/zinc/03/84/36/570038436.db2.gz WTUTURXUEDDBAC-JOCHJYFZSA-N -1 0 482.330 5.122 50 0 JKAARM COc1ccc(Br)cc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000226773459 570038460 /nfs/dbraw/zinc/03/84/60/570038460.db2.gz WTUTURXUEDDBAC-QFIPXVFZSA-N -1 0 482.330 5.122 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000229956291 570042702 /nfs/dbraw/zinc/04/27/02/570042702.db2.gz AFWXVGVLMNSEKH-ISJGIBHGSA-N -1 0 488.465 5.910 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@H]2CC4)c1 ZINC000239347304 570051196 /nfs/dbraw/zinc/05/11/96/570051196.db2.gz MRRXYEYSIFOGFP-IYHARLETSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@@H]2CC4)cc1 ZINC000239433571 570052371 /nfs/dbraw/zinc/05/23/71/570052371.db2.gz YAHGOSRWKWIBRM-JAMMAXCTSA-N -1 0 489.656 6.010 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000245226252 570055044 /nfs/dbraw/zinc/05/50/44/570055044.db2.gz MEQKVXZWXDEHLB-RYGJVYDSSA-N -1 0 472.994 5.373 50 0 JKAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 ZINC000245309468 570063095 /nfs/dbraw/zinc/06/30/95/570063095.db2.gz DLMAWDOBBYYXGS-DNVJHFABSA-N -1 0 482.458 5.155 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000245327305 570065147 /nfs/dbraw/zinc/06/51/47/570065147.db2.gz ODJHQDUYRVGTKL-WXFUMESZSA-N -1 0 462.933 5.180 50 0 JKAARM CC(=O)O[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2C(=O)[O-])C(=O)C1 ZINC000248295697 570077421 /nfs/dbraw/zinc/07/74/21/570077421.db2.gz XAJFPZPUIZSONS-VZKUSYEHSA-N -1 0 462.671 6.283 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]2C1 ZINC000248342572 570078223 /nfs/dbraw/zinc/07/82/23/570078223.db2.gz YKOPWPOFWMYZJZ-BFQBMGPKSA-N -1 0 472.710 6.204 50 0 JKAARM O=C([N-]S(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000252486241 570081851 /nfs/dbraw/zinc/08/18/51/570081851.db2.gz HKARYNURNQFXMO-UHFFFAOYSA-N -1 0 470.860 5.008 50 0 JKAARM O=C([O-])[C@H](CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC000252618084 570086943 /nfs/dbraw/zinc/08/69/43/570086943.db2.gz LDLVXDRLQAPFMV-GOSISDBHSA-N -1 0 473.445 5.059 50 0 JKAARM Cc1ccc(Nc2nc(N=NCc3ccc([O-])c([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000252621906 570087442 /nfs/dbraw/zinc/08/74/42/570087442.db2.gz NJTHVAGBNSDVQU-UHFFFAOYSA-N -1 0 470.493 5.035 50 0 JKAARM O=C([O-])[C@H](CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1)c1c[nH]c2ccccc21 ZINC000252637863 570090093 /nfs/dbraw/zinc/09/00/93/570090093.db2.gz XXOTZCJNAYGHOC-HXUWFJFHSA-N -1 0 490.357 5.323 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)c1 ZINC000252694575 570094854 /nfs/dbraw/zinc/09/48/54/570094854.db2.gz MRRXYEYSIFOGFP-PONNUNSJSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)cc1 ZINC000252695306 570095129 /nfs/dbraw/zinc/09/51/29/570095129.db2.gz YAHGOSRWKWIBRM-PONNUNSJSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1cccc(OCc3cccnc3)c1)CC(=O)O2 ZINC000253414991 570098590 /nfs/dbraw/zinc/09/85/90/570098590.db2.gz ZHTOQRXLWDOSRW-HSZRJFAPSA-N -1 0 451.478 5.038 50 0 JKAARM Cc1nn(Cc2ccc(C)cc2)c(C)c1CN=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl ZINC000254385296 570105651 /nfs/dbraw/zinc/10/56/51/570105651.db2.gz KLSSGXJKLBHRET-UHFFFAOYSA-N -1 0 466.756 5.356 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257348194 570152370 /nfs/dbraw/zinc/15/23/70/570152370.db2.gz CBBTWAWCVXJVTL-IXQAJTQVSA-N -1 0 468.744 7.296 50 0 JKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000257358977 570153809 /nfs/dbraw/zinc/15/38/09/570153809.db2.gz XSDQBBRWWRPKEO-XZEPKLJWSA-N -1 0 476.654 5.620 50 0 JKAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)o2)cc1 ZINC000263585174 570170968 /nfs/dbraw/zinc/17/09/68/570170968.db2.gz FXZMKORGVLUCOJ-NRFANRHFSA-N -1 0 462.505 6.122 50 0 biogenic JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc(F)c(F)c(F)c3)CC(=O)O4)c2=O)cc1OC ZINC000263586080 570171455 /nfs/dbraw/zinc/17/14/55/570171455.db2.gz PUDLKULYDWBQPF-CYBMUJFWSA-N -1 0 498.409 5.041 50 0 biogenic JKAARM O=C([O-])CCCN(Cc1ccc(F)cc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309575766 570178877 /nfs/dbraw/zinc/17/88/77/570178877.db2.gz JWSLXLNCHBNICC-UHFFFAOYSA-N -1 0 467.924 6.095 50 0 JKAARM COc1cccc2cc([C@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000328597469 570179113 /nfs/dbraw/zinc/17/91/13/570179113.db2.gz HPAQFCRSNXXXCU-LJQANCHMSA-N -1 0 486.355 5.483 50 0 JKAARM CCCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000334163491 570185129 /nfs/dbraw/zinc/18/51/29/570185129.db2.gz UYNAAEFGKYWULB-VWLOTQADSA-N -1 0 473.598 5.243 50 0 JKAARM C[C@H]1CCc2cc(F)cc3c(O)c(Cc4c([O-])c5cc(F)cc6c5n(c4=O)[C@@H](C)CC6)c(O)c1c23 ZINC000390834974 570185500 /nfs/dbraw/zinc/18/55/00/570185500.db2.gz YLGBEUPDIBQUFV-STQMWFEESA-N -1 0 477.507 5.697 50 0 JKAARM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000098044022 574417193 /nfs/dbraw/zinc/41/71/93/574417193.db2.gz XLPAINGDLCDYQV-LIZHAOKLSA-N -1 0 454.695 7.752 50 0 endogenous,in-man JKAARM Cc1noc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000068247723 541108461 /nfs/dbraw/zinc/10/84/61/541108461.db2.gz LNDDRUPAICPXIN-GOSISDBHSA-N -1 0 456.498 6.254 50 0 investigational JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014980286 291595169 /nfs/dbraw/zinc/59/51/69/291595169.db2.gz HFGSQOYIOKBQOW-LFSPCLDBSA-N -1 0 472.710 6.060 50 0 biogenic,in-vitro JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@@H](c4ccccc4)C3)c(-c3ccccc3)c2c1 ZINC000000831977 193921170 /nfs/dbraw/zinc/92/11/70/193921170.db2.gz XQJPEWBUQJWABE-XMMPIXPASA-N -1 0 479.536 5.046 50 0 JKAARM NC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001026330 194004908 /nfs/dbraw/zinc/00/49/08/194004908.db2.gz ZYWWMVJWQXSOFY-UHFFFAOYSA-N -1 0 494.438 5.352 50 0 JKAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001027072 194005211 /nfs/dbraw/zinc/00/52/11/194005211.db2.gz BTXCMSXZDLRGLU-UHFFFAOYSA-N -1 0 475.441 5.286 50 0 JKAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001032419 194006303 /nfs/dbraw/zinc/00/63/03/194006303.db2.gz UIBZUOIILGFAOB-UHFFFAOYSA-N -1 0 468.482 5.025 50 0 JKAARM COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1C ZINC000001039689 194007869 /nfs/dbraw/zinc/00/78/69/194007869.db2.gz FXVGCDWAKUCZHC-UHFFFAOYSA-N -1 0 455.479 5.330 50 0 JKAARM CC(C)(C)c1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000001043460 194008432 /nfs/dbraw/zinc/00/84/32/194008432.db2.gz RAZWOTQKFAOCAX-UHFFFAOYSA-N -1 0 450.482 5.991 50 0 JKAARM CCOC(=O)c1c(C)n(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1 ZINC000001047132 194008962 /nfs/dbraw/zinc/00/89/62/194008962.db2.gz BXSMXAGUHVYMLI-UHFFFAOYSA-N -1 0 460.555 5.430 50 0 JKAARM O=C([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000001049835 194009571 /nfs/dbraw/zinc/00/95/71/194009571.db2.gz GWHOOQRWXNWTKM-UHFFFAOYSA-N -1 0 467.348 5.082 50 0 JKAARM O=C([O-])c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001049838 194009620 /nfs/dbraw/zinc/00/96/20/194009620.db2.gz ABTVZXUHGLILMC-UHFFFAOYSA-N -1 0 467.348 5.082 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)cc1 ZINC000001050368 194009916 /nfs/dbraw/zinc/00/99/16/194009916.db2.gz GXMYTOQZCVIHLD-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000001011102 194002793 /nfs/dbraw/zinc/00/27/93/194002793.db2.gz SYXCGECALPWAHK-AUWJEWJLSA-N -1 0 487.144 5.293 50 0 JKAARM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2Cl)nc1)c1ccc(C(F)(F)F)cc1 ZINC000001023826 194004629 /nfs/dbraw/zinc/00/46/29/194004629.db2.gz SXNVFJFCOUFXAU-UHFFFAOYSA-N -1 0 463.264 6.000 50 0 JKAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C(F)(F)F)c3)s2)cs1 ZINC000001023514 194004697 /nfs/dbraw/zinc/00/46/97/194004697.db2.gz NXDGZMHMMPSDKK-UHFFFAOYSA-N -1 0 483.356 5.762 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c(C)c1 ZINC000001062822 194012715 /nfs/dbraw/zinc/01/27/15/194012715.db2.gz UFJVLBDMYCBJLH-UHFFFAOYSA-N -1 0 497.060 5.853 50 0 JKAARM CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000001066167 194014170 /nfs/dbraw/zinc/01/41/70/194014170.db2.gz UDCAKZBFDOENBU-UHFFFAOYSA-N -1 0 461.008 5.732 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)c1C ZINC000001073269 194016782 /nfs/dbraw/zinc/01/67/82/194016782.db2.gz YOFKDLKNTMCLSU-UHFFFAOYSA-N -1 0 493.810 5.772 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c(C)c1 ZINC000001073217 194016837 /nfs/dbraw/zinc/01/68/37/194016837.db2.gz GCUNWFKIBCUTQK-UHFFFAOYSA-N -1 0 482.911 6.029 50 0 JKAARM CC[C@@H](C)c1ccc([C@@H](CC)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001118658 194032000 /nfs/dbraw/zinc/03/20/00/194032000.db2.gz HOWHWLVGOWOWGV-VGOFRKELSA-N -1 0 483.663 5.229 50 0 JKAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCCCC2)c1 ZINC000001123158 194034766 /nfs/dbraw/zinc/03/47/66/194034766.db2.gz ZZXZIHFVLGWKTF-FGZHOGPDSA-N -1 0 463.578 5.067 50 0 JKAARM O=S(=O)([N-]c1nccs1)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc32)cc1 ZINC000001186758 194064689 /nfs/dbraw/zinc/06/46/89/194064689.db2.gz XNCVJPHSIXJKAI-UHFFFAOYSA-N -1 0 459.556 5.298 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000001234958 194077918 /nfs/dbraw/zinc/07/79/18/194077918.db2.gz SQKLRNLUIFMZJC-UHFFFAOYSA-N -1 0 462.461 5.105 50 0 JKAARM Cc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000001388506 194113889 /nfs/dbraw/zinc/11/38/89/194113889.db2.gz BJIXXMSCVBLAOG-UHFFFAOYSA-N -1 0 473.520 5.829 50 0 JKAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001391891 194114421 /nfs/dbraw/zinc/11/44/21/194114421.db2.gz WJRRKSWERZBERZ-UHFFFAOYSA-N -1 0 455.967 5.164 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000001408983 194116299 /nfs/dbraw/zinc/11/62/99/194116299.db2.gz YKLYNOHWRPFQOH-SONOPUAISA-N -1 0 484.527 6.241 50 0 JKAARM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cc(Br)cc2cccnc21 ZINC000001424136 194118573 /nfs/dbraw/zinc/11/85/73/194118573.db2.gz UGYADNYTYAWNLN-UHFFFAOYSA-N -1 0 496.386 5.359 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Br)cc21 ZINC000001424716 194118785 /nfs/dbraw/zinc/11/87/85/194118785.db2.gz YREGSLIREKELES-UHFFFAOYSA-N -1 0 462.221 6.641 50 0 JKAARM CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)[O-])c1 ZINC000001549397 194127747 /nfs/dbraw/zinc/12/77/47/194127747.db2.gz SJRVJRYZAQYCEE-UHFFFAOYSA-N -1 0 474.560 6.899 50 0 in-vitro JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000001773550 194137534 /nfs/dbraw/zinc/13/75/34/194137534.db2.gz FYCAQRBHOLCRGS-UHFFFAOYSA-N -1 0 485.606 5.187 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(Br)cc21 ZINC000001790022 194140966 /nfs/dbraw/zinc/14/09/66/194140966.db2.gz CIKYWKHFLQPTOW-UHFFFAOYSA-N -1 0 463.114 6.929 50 0 JKAARM COc1ccc(-n2c(SCc3ccc(C(=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000001804764 194143377 /nfs/dbraw/zinc/14/33/77/194143377.db2.gz RSDLHBSZKNQNFG-UHFFFAOYSA-N -1 0 473.598 6.231 50 0 JKAARM O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Br)cc(Br)c1[O-] ZINC000001882302 194152217 /nfs/dbraw/zinc/15/22/17/194152217.db2.gz BAYTYZLFMKIUOB-UHFFFAOYSA-N -1 0 474.363 6.130 50 0 JKAARM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(OC)ccc1OC)c1ccccc21 ZINC000001926240 194155680 /nfs/dbraw/zinc/15/56/80/194155680.db2.gz ILWPSJLLSMNVQG-UHFFFAOYSA-N -1 0 497.569 5.669 50 0 JKAARM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000002211681 194158277 /nfs/dbraw/zinc/15/82/77/194158277.db2.gz QHTLEEMQLOJYSR-HNNXBMFYSA-N -1 0 477.611 5.973 50 0 JKAARM COc1cccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036512 194214241 /nfs/dbraw/zinc/21/42/41/194214241.db2.gz VNLJJHHTUNBOKD-UHFFFAOYSA-N -1 0 491.451 5.548 50 0 JKAARM Cc1ccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000003036504 194214250 /nfs/dbraw/zinc/21/42/50/194214250.db2.gz XNVOVXGNXSFVHS-UHFFFAOYSA-N -1 0 475.452 5.848 50 0 JKAARM COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000003105393 194226356 /nfs/dbraw/zinc/22/63/56/194226356.db2.gz FHFYCNJBNWQPTM-UHFFFAOYSA-N -1 0 486.977 5.105 50 0 JKAARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000003065555 194223422 /nfs/dbraw/zinc/22/34/22/194223422.db2.gz RKCMFAAIQLFNKF-UHFFFAOYSA-N -1 0 463.169 6.893 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000003133402 194230184 /nfs/dbraw/zinc/23/01/84/194230184.db2.gz WBYMGRPVMHSJQP-UHFFFAOYSA-N -1 0 477.630 5.808 50 0 JKAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C(F)(F)F)c(Oc1ccc3ccccc3c1)c2=O ZINC000003204719 194238657 /nfs/dbraw/zinc/23/86/57/194238657.db2.gz ZUCWOJLKPPFQAE-UHFFFAOYSA-N -1 0 458.388 5.783 50 0 JKAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000003170837 194233994 /nfs/dbraw/zinc/23/39/94/194233994.db2.gz CYMFZEUHXUDNQX-UHFFFAOYSA-N -1 0 463.169 6.893 50 0 JKAARM Cc1cccc([N-]C(=S)Oc2ccc(C(=O)Nc3cccc(Br)c3)cc2)c1C ZINC000003112493 194226959 /nfs/dbraw/zinc/22/69/59/194226959.db2.gz PHGOLQWSWCMPIR-UHFFFAOYSA-N -1 0 455.377 6.094 50 0 JKAARM Cc1c([O-])ccc2c(=O)c(Oc3ccc(I)cc3)c(C(F)(F)F)oc12 ZINC000003118596 194228093 /nfs/dbraw/zinc/22/80/93/194228093.db2.gz GZSIQXXTTPDCLZ-UHFFFAOYSA-N -1 0 462.161 5.223 50 0 JKAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2cc(C(F)(F)F)cc(C(F)(F)F)c21 ZINC000003119518 194228320 /nfs/dbraw/zinc/22/83/20/194228320.db2.gz AWLZFZLSTYWXRG-UHFFFAOYSA-N -1 0 464.159 6.400 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(Cc2ccccc2)CC1 ZINC000003218078 194241457 /nfs/dbraw/zinc/24/14/57/194241457.db2.gz OUTAOWQWFKLYRV-UHFFFAOYSA-N -1 0 475.035 5.297 50 0 JKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003222219 194243025 /nfs/dbraw/zinc/24/30/25/194243025.db2.gz NBQXWAVMKHKGRZ-UHFFFAOYSA-N -1 0 473.385 6.043 50 0 JKAARM O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003207489 194239226 /nfs/dbraw/zinc/23/92/26/194239226.db2.gz PFGUAAYCEFZCIK-UHFFFAOYSA-N -1 0 489.302 6.065 50 0 JKAARM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000003260964 194255156 /nfs/dbraw/zinc/25/51/56/194255156.db2.gz RKOVMHWBHLJFEX-PNHLSOANSA-N -1 0 489.394 7.232 50 0 JKAARM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003277401 194260694 /nfs/dbraw/zinc/26/06/94/194260694.db2.gz WHGOFBGKKXICML-UHFFFAOYSA-N -1 0 489.340 5.263 50 0 JKAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1 ZINC000003280966 194262023 /nfs/dbraw/zinc/26/20/23/194262023.db2.gz LZPABIQQEMEBFI-UHFFFAOYSA-N -1 0 469.868 5.453 50 0 JKAARM O=C([O-])c1nc(Cl)c(Cl)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cl ZINC000003295417 194269864 /nfs/dbraw/zinc/26/98/64/194269864.db2.gz XUNSXPHZHHSKEY-UHFFFAOYSA-N -1 0 476.791 5.652 50 0 JKAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003297370 194271067 /nfs/dbraw/zinc/27/10/67/194271067.db2.gz PXCCHJVLSZGGSE-UHFFFAOYSA-N -1 0 477.405 5.052 50 0 JKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000003328211 194284111 /nfs/dbraw/zinc/28/41/11/194284111.db2.gz VRLURRFRGCZYHE-UHFFFAOYSA-N -1 0 475.393 5.307 50 0 JKAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000003328395 194284235 /nfs/dbraw/zinc/28/42/35/194284235.db2.gz JRAUSIMAFHIXRM-UHFFFAOYSA-N -1 0 491.392 5.007 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000003328446 194284312 /nfs/dbraw/zinc/28/43/12/194284312.db2.gz VDMQTYZCOWLMBA-UHFFFAOYSA-N -1 0 489.420 5.615 50 0 JKAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000003328409 194284332 /nfs/dbraw/zinc/28/43/32/194284332.db2.gz OQROOZYJPZMDSE-UHFFFAOYSA-N -1 0 489.420 5.615 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000003340827 194290302 /nfs/dbraw/zinc/29/03/02/194290302.db2.gz VAVKAYFWFUGFJD-UHFFFAOYSA-N -1 0 484.714 5.961 50 0 JKAARM O=c1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000003352383 194296495 /nfs/dbraw/zinc/29/64/95/194296495.db2.gz NWLMHWQDNZDDKG-UHFFFAOYSA-N -1 0 486.409 5.831 50 0 JKAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000003581474 194338387 /nfs/dbraw/zinc/33/83/87/194338387.db2.gz JELSFIVFGJPJCN-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM COc1ccc(C(=O)NC([N-]c2ncc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003624009 194342780 /nfs/dbraw/zinc/34/27/80/194342780.db2.gz RSTNXQAAKBUAIA-UHFFFAOYSA-N -1 0 462.177 5.060 50 0 JKAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003671068 194358597 /nfs/dbraw/zinc/35/85/97/194358597.db2.gz ZWBXTJCIFAJSLD-PAIGMYNKSA-N -1 0 459.501 6.133 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003785416 194361588 /nfs/dbraw/zinc/36/15/88/194361588.db2.gz MIJYXULNPSFWEK-GTOFXWBISA-N -1 0 456.711 7.234 50 0 endogenous,in-man JKAARM CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000003831411 194362288 /nfs/dbraw/zinc/36/22/88/194362288.db2.gz FAEKWTJYAYMJKF-HSZRJFAPSA-N -1 0 452.595 5.220 50 0 in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000003881985 194366393 /nfs/dbraw/zinc/36/63/93/194366393.db2.gz MIJYXULNPSFWEK-WIWIRLGMSA-N -1 0 456.711 7.234 50 0 biogenic JKAARM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000003947452 194366963 /nfs/dbraw/zinc/36/69/63/194366963.db2.gz MIJYXULNPSFWEK-BOIKRYTPSA-N -1 0 456.711 7.234 50 0 JKAARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003964583 194368074 /nfs/dbraw/zinc/36/80/74/194368074.db2.gz RIXNFYQZWDGQAE-DFHVBEEKSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000004199843 194384261 /nfs/dbraw/zinc/38/42/61/194384261.db2.gz AKNZPLGRLJFZQL-QZTJIDSGSA-N -1 0 455.576 5.413 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004647349 194393046 /nfs/dbraw/zinc/39/30/46/194393046.db2.gz RNHALBZMXDEODU-MRXNPFEDSA-N -1 0 450.539 5.827 50 0 JKAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000004644026 194393248 /nfs/dbraw/zinc/39/32/48/194393248.db2.gz DBBPQMWXSBYRKK-HNNXBMFYSA-N -1 0 452.894 5.005 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004665658 194393533 /nfs/dbraw/zinc/39/35/33/194393533.db2.gz LNXSNDIPGSJFIJ-RUZDIDTESA-N -1 0 464.525 5.082 50 0 JKAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000006182537 194418775 /nfs/dbraw/zinc/41/87/75/194418775.db2.gz YMKZZBMIEOGZAA-UHFFFAOYSA-N -1 0 480.369 5.161 50 0 JKAARM COc1ccc2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000009019819 194506919 /nfs/dbraw/zinc/50/69/19/194506919.db2.gz NUARSRIUBWIUCH-NRFANRHFSA-N -1 0 486.355 5.483 50 0 JKAARM Cc1cc2sc([N-]C(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)nc2c(C)c1 ZINC000009015596 194505760 /nfs/dbraw/zinc/50/57/60/194505760.db2.gz QABXLHJDRXYYGM-UHFFFAOYSA-N -1 0 475.458 5.895 50 0 JKAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C ZINC000009109578 194530812 /nfs/dbraw/zinc/53/08/12/194530812.db2.gz RICPQXCDCNFVEC-SFHVURJKSA-N -1 0 482.461 5.678 50 0 JKAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C ZINC000009109579 194530842 /nfs/dbraw/zinc/53/08/42/194530842.db2.gz RICPQXCDCNFVEC-GOSISDBHSA-N -1 0 482.461 5.678 50 0 JKAARM Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000009301877 194673757 /nfs/dbraw/zinc/67/37/57/194673757.db2.gz BLOACAWQOLXPLL-VWLOTQADSA-N -1 0 497.982 6.406 50 0 JKAARM O=C([O-])c1cc(NCc2ccccc2OCc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000009892657 195016703 /nfs/dbraw/zinc/01/67/03/195016703.db2.gz NWVDJXUSFFSHON-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Cl)ccc2OCc2ccccc2)ccc1N1CCOCC1 ZINC000009892679 195016714 /nfs/dbraw/zinc/01/67/14/195016714.db2.gz WRHHIFLBNDLNTR-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009913405 195022572 /nfs/dbraw/zinc/02/25/72/195022572.db2.gz JARBTRXTGSPMBL-UHFFFAOYSA-N -1 0 495.782 5.164 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2Cl)c(C)c1 ZINC000009957198 195037158 /nfs/dbraw/zinc/03/71/58/195037158.db2.gz LBMLUXWENWFYPU-UHFFFAOYSA-N -1 0 482.945 5.116 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1S(=O)(=O)Nc1ccccc1F ZINC000012604708 195049922 /nfs/dbraw/zinc/04/99/22/195049922.db2.gz ORBUSCSBADMCDL-UHFFFAOYSA-N -1 0 489.377 5.043 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(Nc2nc(-c3cccs3)nc3ccccc32)c1 ZINC000012632233 195064554 /nfs/dbraw/zinc/06/45/54/195064554.db2.gz MAEQBRUUYWUKRO-UHFFFAOYSA-N -1 0 488.594 5.911 50 0 JKAARM COc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000012697432 195090477 /nfs/dbraw/zinc/09/04/77/195090477.db2.gz YOVXQFDCGQBBQC-UHFFFAOYSA-N -1 0 451.935 5.587 50 0 JKAARM O=C(Cc1ccc(Cl)cc1)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012749355 195104433 /nfs/dbraw/zinc/10/44/33/195104433.db2.gz XVCZIRZUZADXHR-UHFFFAOYSA-N -1 0 469.777 5.629 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012799948 195138770 /nfs/dbraw/zinc/13/87/70/195138770.db2.gz VOJHOZQAPLFGGS-UHFFFAOYSA-N -1 0 483.804 5.937 50 0 JKAARM O=C(Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)Nc1ccc(Cl)cc1 ZINC000012823193 195150293 /nfs/dbraw/zinc/15/02/93/195150293.db2.gz BQECQBRVWXOAQI-UHFFFAOYSA-N -1 0 469.777 5.629 50 0 JKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000020615500 195187643 /nfs/dbraw/zinc/18/76/43/195187643.db2.gz TVWSKMOKBQUGLC-UHFFFAOYSA-N -1 0 476.252 5.875 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020735354 195212518 /nfs/dbraw/zinc/21/25/18/195212518.db2.gz WDICGNDLJPPIIV-IBGZPJMESA-N -1 0 483.193 5.185 50 0 JKAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020735357 195212400 /nfs/dbraw/zinc/21/24/00/195212400.db2.gz WDICGNDLJPPIIV-LJQANCHMSA-N -1 0 483.193 5.185 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(F)cc3)no2)cc1 ZINC000020896744 195240034 /nfs/dbraw/zinc/24/00/34/195240034.db2.gz KWHRELKTINSLBB-UHFFFAOYSA-N -1 0 456.429 5.719 50 0 JKAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000020988866 195261496 /nfs/dbraw/zinc/26/14/96/195261496.db2.gz GTLWQCTUMZBTIJ-UHFFFAOYSA-N -1 0 453.541 5.671 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000021044357 195271357 /nfs/dbraw/zinc/27/13/57/195271357.db2.gz GKBDUCGRWBYNCT-SFHVURJKSA-N -1 0 467.349 5.397 50 0 JKAARM COc1cc(NC(=O)CC2CCCCC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021353382 195297084 /nfs/dbraw/zinc/29/70/84/195297084.db2.gz XVSMPVPKMRWIMQ-UHFFFAOYSA-N -1 0 459.593 5.015 50 0 JKAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059478027 195405007 /nfs/dbraw/zinc/40/50/07/195405007.db2.gz UQWUMXVDXAFAAL-CVEARBPZSA-N -1 0 461.008 6.072 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5c(ccc(Cl)c5Cl)s4)sc3c2s1 ZINC000062007435 195420036 /nfs/dbraw/zinc/42/00/36/195420036.db2.gz TZYGJSPNNPUZKY-UHFFFAOYSA-N -1 0 455.442 7.288 50 0 JKAARM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557945 195439714 /nfs/dbraw/zinc/43/97/14/195439714.db2.gz JRMBHXZROMPSEQ-OAQYLSRUSA-N -1 0 453.947 5.234 50 0 JKAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002404536 518389938 /nfs/dbraw/zinc/38/99/38/518389938.db2.gz HPJSTDKAGKJGEU-UHFFFAOYSA-N -1 0 487.368 5.684 50 0 JKAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)c3ccccc3)cc2Cl)C[C@H]1C(=O)[O-] ZINC000042783142 518818105 /nfs/dbraw/zinc/81/81/05/518818105.db2.gz RDSZRNXYZBOCQS-ICSRJNTNSA-N -1 0 459.970 5.507 50 0 JKAARM CC(C)(C)OC(=O)N[C@@H](Cc1c2cc(C(C)(C)C)cc(C(C)(C)C)c2[nH]c1C(C)(C)C)C(=O)[O-] ZINC000044831639 518835847 /nfs/dbraw/zinc/83/58/47/518835847.db2.gz GJLLQOSDGIXIFW-FQEVSTJZSA-N -1 0 472.670 6.581 50 0 JKAARM CC(C)(C)c1cc([C@H](c2ccc(O)cc2)c2c([O-])c3ccccc3oc2=O)cc(C(C)(C)C)c1O ZINC000006143156 519004854 /nfs/dbraw/zinc/00/48/54/519004854.db2.gz NUNBBMQIIVBESY-DEOSSOPVSA-N -1 0 472.581 6.685 50 0 biogenic JKAARM CC(C)(C)c1ccc(CSc2nnc(-c3cc(Cl)c([O-])c(Cl)c3)n2-c2ccccc2)cc1 ZINC000016323223 519031402 /nfs/dbraw/zinc/03/14/02/519031402.db2.gz GVTZXKCDLWKBSC-UHFFFAOYSA-N -1 0 484.452 7.537 50 0 JKAARM CC(C)C(=O)c1cn(CC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)[O-])cc12 ZINC000049112229 519533464 /nfs/dbraw/zinc/53/34/64/519533464.db2.gz HTOJZPHWNDZOPQ-UHFFFAOYSA-N -1 0 471.509 5.619 50 0 in-vitro JKAARM CC(C)C(=O)c1cn(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)[O-])cc12 ZINC000049110372 519534847 /nfs/dbraw/zinc/53/48/47/519534847.db2.gz BOEJDYFVYZETDG-FQEVSTJZSA-N -1 0 473.525 5.410 50 0 in-vitro JKAARM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494196 519645855 /nfs/dbraw/zinc/64/58/55/519645855.db2.gz BHYOQNUELFTYRT-DPAQBDIFSA-N -1 0 466.728 7.216 50 0 endogenous,in-man JKAARM CC(C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000002099898 519667596 /nfs/dbraw/zinc/66/75/96/519667596.db2.gz IWQMHABDCRAPMG-ZDLGFXPLSA-N -1 0 476.348 5.171 50 0 JKAARM CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccc(Cl)cc1)C(=O)N2C ZINC000036354793 519840624 /nfs/dbraw/zinc/84/06/24/519840624.db2.gz RNWWSHFTMCQGNG-RUZDIDTESA-N -1 0 480.973 5.495 50 0 JKAARM CCCCCCc1cc2c(cc1[O-])oc(C(=O)OCC)c(Oc1cnn(-c3ccccc3)c1)c2=O ZINC000025582186 520136097 /nfs/dbraw/zinc/13/60/97/520136097.db2.gz KWNGQKZIZAWTDA-UHFFFAOYSA-N -1 0 476.529 5.776 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@H]2[C@@H](CC[C@@H]2CC)[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C ZINC000014089982 520176180 /nfs/dbraw/zinc/17/61/80/520176180.db2.gz BAIPOTOKPGDCHA-MWBHXQFBSA-N -1 0 493.688 6.849 50 0 JKAARM CCCOc1c(Br)cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000033490508 520290137 /nfs/dbraw/zinc/29/01/37/520290137.db2.gz CWEIHIUVNTYPSY-UHVIJJLKSA-N -1 0 496.401 6.616 50 0 JKAARM CCCCCc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000008618289 520325086 /nfs/dbraw/zinc/32/50/86/520325086.db2.gz RGDFQSLHLSEBOG-UHFFFAOYSA-N -1 0 464.414 7.319 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C ZINC000033254041 520544545 /nfs/dbraw/zinc/54/45/45/520544545.db2.gz NVGDJYOJKRJELX-UHFFFAOYSA-N -1 0 452.576 5.301 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000033253622 520544587 /nfs/dbraw/zinc/54/45/87/520544587.db2.gz XBQIAEAOJXTSBM-UHFFFAOYSA-N -1 0 452.576 5.301 50 0 JKAARM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3n2C)cc1 ZINC000033277026 520546958 /nfs/dbraw/zinc/54/69/58/520546958.db2.gz RSKWDAXAKZHBKI-UHFFFAOYSA-N -1 0 497.020 5.177 50 0 JKAARM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000008614304 520570076 /nfs/dbraw/zinc/57/00/76/520570076.db2.gz LSYNDUJXUHFZIO-UHFFFAOYSA-N -1 0 480.977 6.191 50 0 JKAARM CCOc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1OCC(=O)N(C)C ZINC000033581361 520616079 /nfs/dbraw/zinc/61/60/79/520616079.db2.gz NMXISNUSBJVJCS-WJDWOHSUSA-N -1 0 488.993 5.221 50 0 JKAARM CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000014980278 520642063 /nfs/dbraw/zinc/64/20/63/520642063.db2.gz JZFSMVXQUWRSIW-BTJIZOSBSA-N -1 0 456.711 7.234 50 0 endogenous,in-man JKAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NCc2ccccc2)cc1 ZINC000023441678 520893223 /nfs/dbraw/zinc/89/32/23/520893223.db2.gz DMBCPEKMYGPCEP-UHFFFAOYSA-N -1 0 472.994 5.250 50 0 JKAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)c1 ZINC000033170604 521171379 /nfs/dbraw/zinc/17/13/79/521171379.db2.gz NTVHLFVBXVPZRC-BENRWUELSA-N -1 0 499.589 5.018 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)s1 ZINC000033306493 521192942 /nfs/dbraw/zinc/19/29/42/521192942.db2.gz DCZKVMVKBOGZFF-CSKARUKUSA-N -1 0 451.957 5.018 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)s1 ZINC000033306495 521193172 /nfs/dbraw/zinc/19/31/72/521193172.db2.gz QWDBTVLLLGDNML-RMKNXTFCSA-N -1 0 465.984 5.326 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)s1 ZINC000033306538 521193579 /nfs/dbraw/zinc/19/35/79/521193579.db2.gz FVDNXAHXXHZSKX-VQHVLOKHSA-N -1 0 459.593 5.289 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)s1 ZINC000033306525 521195138 /nfs/dbraw/zinc/19/51/38/521195138.db2.gz JQYAXVLWYFMKOF-CSKARUKUSA-N -1 0 465.984 5.326 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000021882704 521204044 /nfs/dbraw/zinc/20/40/44/521204044.db2.gz NWZQAKGZURTGJC-GOSISDBHSA-N -1 0 485.997 5.064 50 0 JKAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(=O)OCC)cc1 ZINC000002109102 521265124 /nfs/dbraw/zinc/26/51/24/521265124.db2.gz OPVPUNRPNYVSGT-RTWAWAEBSA-N -1 0 483.630 6.320 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002766897 521370737 /nfs/dbraw/zinc/37/07/37/521370737.db2.gz QCLXOTFTXRWJIK-SFTDATJTSA-N -1 0 481.614 6.245 50 0 JKAARM CCOC(=O)c1ccc(-c2ccc(/C=C/c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000028356390 521459745 /nfs/dbraw/zinc/45/97/45/521459745.db2.gz LGXSJRBMIQYFNC-CMDGGOBGSA-N -1 0 492.325 6.303 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)sc1C ZINC000046141530 521553699 /nfs/dbraw/zinc/55/36/99/521553699.db2.gz VDBPAVXOMPGQEM-UHFFFAOYSA-N -1 0 459.524 5.112 50 0 JKAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000008589960 521556052 /nfs/dbraw/zinc/55/60/52/521556052.db2.gz CBCAZFAAJSBGAF-UHFFFAOYSA-N -1 0 454.939 5.226 50 0 JKAARM CCc1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010673 521771829 /nfs/dbraw/zinc/77/18/29/521771829.db2.gz GTTGNHPMZOQXOE-UHFFFAOYSA-N -1 0 454.592 5.347 50 0 JKAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000013987075 521942270 /nfs/dbraw/zinc/94/22/70/521942270.db2.gz HZLRAGLDKYWFMT-PKNBQFBNSA-N -1 0 496.563 6.055 50 0 JKAARM COc1cc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1OC ZINC000033397350 521948287 /nfs/dbraw/zinc/94/82/87/521948287.db2.gz JWMPFSCSJKHVNO-BKUYFWCQSA-N -1 0 496.563 5.515 50 0 JKAARM COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002995202 521953700 /nfs/dbraw/zinc/95/37/00/521953700.db2.gz AQVSHDSMGHNJML-HYARGMPZSA-N -1 0 461.495 5.213 50 0 JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000006110711 522037802 /nfs/dbraw/zinc/03/78/02/522037802.db2.gz JPGPAIYTIOXUPS-KRWDZBQOSA-N -1 0 462.575 5.696 50 0 JKAARM COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000008618141 522420693 /nfs/dbraw/zinc/42/06/93/522420693.db2.gz OCCWUNIXDNMCGQ-UHFFFAOYSA-N -1 0 492.062 6.570 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000006110757 522426616 /nfs/dbraw/zinc/42/66/16/522426616.db2.gz QLRKNNUKXCHFQH-GOSISDBHSA-N -1 0 460.603 6.305 50 0 JKAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000008618107 522449254 /nfs/dbraw/zinc/44/92/54/522449254.db2.gz BKMVHOUZEIQYAV-UHFFFAOYSA-N -1 0 465.405 5.296 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1Cl ZINC000065004252 522815923 /nfs/dbraw/zinc/81/59/23/522815923.db2.gz CRGZWBGHLQINJX-UHFFFAOYSA-N -1 0 454.957 5.142 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4C)s3)no2)cc1OC ZINC000046086865 523101214 /nfs/dbraw/zinc/10/12/14/523101214.db2.gz HNFPVHUQCBUHBB-UHFFFAOYSA-N -1 0 468.560 5.063 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccc(Cl)cc4)s3)no2)cc1OC ZINC000046087020 523101232 /nfs/dbraw/zinc/10/12/32/523101232.db2.gz RLTISHIRLKKDOH-UHFFFAOYSA-N -1 0 488.978 5.408 50 0 JKAARM CCn1c(CCc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)nc2ccccc21 ZINC000033116581 523183427 /nfs/dbraw/zinc/18/34/27/523183427.db2.gz SZVTXLMRLJOXJX-UHFFFAOYSA-N -1 0 490.448 5.466 50 0 JKAARM CCn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941045 523258938 /nfs/dbraw/zinc/25/89/38/523258938.db2.gz QFDZRENMBICSJS-UHFFFAOYSA-N -1 0 488.034 5.448 50 0 JKAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253477 523355378 /nfs/dbraw/zinc/35/53/78/523355378.db2.gz GOANJDLTYOCOOE-UHFFFAOYSA-N -1 0 452.576 5.120 50 0 JKAARM COc1ccc(Br)c(C(=O)Nc2ccc(N3[C@@H](C)CCC[C@@H]3C)c(C(=O)[O-])c2)c1 ZINC000008616559 523479819 /nfs/dbraw/zinc/47/98/19/523479819.db2.gz NCDGUFQKXNBPBN-KBPBESRZSA-N -1 0 461.356 5.176 50 0 JKAARM COc1ccc(Br)cc1/C=C1/C[C@@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033662140 523489126 /nfs/dbraw/zinc/48/91/26/523489126.db2.gz DAFQHUKEPIJYJE-ZFOVBUMHSA-N -1 0 480.402 6.853 50 0 JKAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000036357808 523726498 /nfs/dbraw/zinc/72/64/98/523726498.db2.gz UTSYVUPNHPEXFZ-JOCHJYFZSA-N -1 0 473.337 5.025 50 0 JKAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000040485642 523872313 /nfs/dbraw/zinc/87/23/13/523872313.db2.gz OFZJKJWTLRESKI-HSZRJFAPSA-N -1 0 461.539 5.168 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C)cc3C)co2)cc1 ZINC000013360663 524252512 /nfs/dbraw/zinc/25/25/12/524252512.db2.gz HDHZBLIDSOWWAO-UHFFFAOYSA-N -1 0 468.962 6.088 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000006146576 524254087 /nfs/dbraw/zinc/25/40/87/524254087.db2.gz BMXQMIFZLOKRRJ-UHFFFAOYSA-N -1 0 477.413 6.280 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCC2CCCCC2)(c2ccccc2)c2ccccc2)n1 ZINC000013898485 524595668 /nfs/dbraw/zinc/59/56/68/524595668.db2.gz YJAGPKXEACHSFM-SANMLTNESA-N -1 0 474.601 5.856 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)cs2)n(C)c1C ZINC000065008888 524640803 /nfs/dbraw/zinc/64/08/03/524640803.db2.gz QATMQAHMTLMTKM-UHFFFAOYSA-N -1 0 457.552 5.073 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)c(OC)c1 ZINC000046141301 524687706 /nfs/dbraw/zinc/68/77/06/524687706.db2.gz HIPKQWJHKZYWTC-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)sc3Cl)ccc2OC)cc1 ZINC000016179019 524690611 /nfs/dbraw/zinc/69/06/11/524690611.db2.gz ZNAPPXMSLSJMRN-UHFFFAOYSA-N -1 0 487.386 5.125 50 0 JKAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033253346 524872074 /nfs/dbraw/zinc/87/20/74/524872074.db2.gz LYSVPZWYNUZTDX-UHFFFAOYSA-N -1 0 482.577 5.092 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)c1 ZINC000033169062 524878611 /nfs/dbraw/zinc/87/86/11/524878611.db2.gz LUPWKRZXYRIPKQ-UHFFFAOYSA-N -1 0 474.991 5.743 50 0 JKAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078581 525064283 /nfs/dbraw/zinc/06/42/83/525064283.db2.gz PJGHTNGRAOMQCT-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000006115956 525214659 /nfs/dbraw/zinc/21/46/59/525214659.db2.gz AZIPMXAUJZSPTQ-ZIAGYGMSSA-N -1 0 465.406 5.220 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3C)[n-]c2=O)c1 ZINC000021882759 525246199 /nfs/dbraw/zinc/24/61/99/525246199.db2.gz GQDGSTNATGSRJT-SFHVURJKSA-N -1 0 499.596 5.233 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)ccc1Br ZINC000065004763 525286740 /nfs/dbraw/zinc/28/67/40/525286740.db2.gz CMDOHJKMMLSWIT-UHFFFAOYSA-N -1 0 467.410 5.932 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)ccc1Br ZINC000065004412 525287410 /nfs/dbraw/zinc/28/74/10/525287410.db2.gz IFYPHANUGDTNJX-UHFFFAOYSA-N -1 0 453.383 5.542 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)c(C)c1 ZINC000016284975 525296178 /nfs/dbraw/zinc/29/61/78/525296178.db2.gz LJXDRVABKMYLNS-UHFFFAOYSA-N -1 0 481.083 5.553 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)cc1C ZINC000016312535 525296921 /nfs/dbraw/zinc/29/69/21/525296921.db2.gz CZLWULDSXHKGBW-UHFFFAOYSA-N -1 0 464.974 6.163 50 0 JKAARM COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C(=O)[O-])cc3)N2)cc1 ZINC000080324800 525405181 /nfs/dbraw/zinc/40/51/81/525405181.db2.gz NALQCYGLPHQSLE-GGAORHGYSA-N -1 0 465.347 5.378 50 0 JKAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000025423961 525515161 /nfs/dbraw/zinc/51/51/61/525515161.db2.gz AJWAAEKUJYXWRW-RHIYTYFCSA-N -1 0 464.348 7.623 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2Sc2ccc(Cl)cc2)cc1 ZINC000012340482 525561202 /nfs/dbraw/zinc/56/12/02/525561202.db2.gz MPQNJQDDDUWQHJ-UHFFFAOYSA-N -1 0 481.426 5.641 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2cccc(C(F)(F)F)c2)cc1 ZINC000024830124 525617366 /nfs/dbraw/zinc/61/73/66/525617366.db2.gz DHBPBTDIZNTYMF-UHFFFAOYSA-N -1 0 472.492 5.370 50 0 JKAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NCCC2=CCCCC2)cc1 ZINC000012252480 525633256 /nfs/dbraw/zinc/63/32/56/525633256.db2.gz QBWMHUNAZRYQCZ-UHFFFAOYSA-N -1 0 495.670 5.317 50 0 JKAARM COc1ccc2cc(S(=O)(=O)Nc3ccccc3C)ccc2c1S(=O)(=O)[N-]c1ccccc1C ZINC000016474840 525635818 /nfs/dbraw/zinc/63/58/18/525635818.db2.gz JDDOHBKKBKKFRT-UHFFFAOYSA-N -1 0 496.610 5.067 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4OC)cc3Cl)sc2c1 ZINC000033169078 525654474 /nfs/dbraw/zinc/65/44/74/525654474.db2.gz MIROAWGWUOSYGF-UHFFFAOYSA-N -1 0 495.409 6.088 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000027662625 525727301 /nfs/dbraw/zinc/72/73/01/525727301.db2.gz YBKVPYMSNOCSIM-UHFFFAOYSA-N -1 0 451.482 6.209 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C)c(F)c3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012252198 525818266 /nfs/dbraw/zinc/81/82/66/525818266.db2.gz RVKDLRGASXQBPH-UHFFFAOYSA-N -1 0 495.601 5.396 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2oc1C(=O)N1CCCCCC1 ZINC000065010928 525942018 /nfs/dbraw/zinc/94/20/18/525942018.db2.gz DVGUEPVXKIYWHM-UHFFFAOYSA-N -1 0 458.555 5.314 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2oc1C(=O)N1CCCCC1 ZINC000065010655 525942068 /nfs/dbraw/zinc/94/20/68/525942068.db2.gz AFCNWNYATFSCAU-UHFFFAOYSA-N -1 0 454.592 5.402 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2oc1C(=O)N1CCCCC1 ZINC000065010693 525942128 /nfs/dbraw/zinc/94/21/28/525942128.db2.gz XKGMJSHFWAEMLP-UHFFFAOYSA-N -1 0 462.518 5.063 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)occ3-c1ccc(Cl)cc1 ZINC000002121211 525961584 /nfs/dbraw/zinc/96/15/84/525961584.db2.gz JFOFGAMBYXIPGO-UHFFFAOYSA-N -1 0 479.916 5.034 50 0 biogenic JKAARM COc1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010896 526210271 /nfs/dbraw/zinc/21/02/71/526210271.db2.gz BRGTXRSXSSSXMN-UHFFFAOYSA-N -1 0 470.591 5.184 50 0 JKAARM O=C([O-])[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567691 526306030 /nfs/dbraw/zinc/30/60/30/526306030.db2.gz AJMRBDCOLBEYRZ-QFIPXVFZSA-N -1 0 455.432 5.240 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569518 526306377 /nfs/dbraw/zinc/30/63/77/526306377.db2.gz YMEGJWTUWMVZPD-QFIPXVFZSA-N -1 0 455.432 5.240 50 0 JKAARM O=C([O-])[C@H](Cc1ccccc1-c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044138398 526307996 /nfs/dbraw/zinc/30/79/96/526307996.db2.gz LVWTWJBBUVERRZ-NDEPHWFRSA-N -1 0 463.533 5.888 50 0 JKAARM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492219 526342881 /nfs/dbraw/zinc/34/28/81/526342881.db2.gz PJHATVAJNGBYJM-UHFFFAOYSA-N -1 0 462.225 5.771 50 0 JKAARM O=C([O-])c1cc(I)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582961 526347376 /nfs/dbraw/zinc/34/73/76/526347376.db2.gz ROLACDNYVXPHFY-UHFFFAOYSA-N -1 0 485.277 5.350 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000033260804 526349195 /nfs/dbraw/zinc/34/91/95/526349195.db2.gz BNEWPPTUYXXIKG-UHFFFAOYSA-N -1 0 486.959 5.165 50 0 JKAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1Cl ZINC000016192789 526352061 /nfs/dbraw/zinc/35/20/61/526352061.db2.gz JININBPEYKVCLV-UHFFFAOYSA-N -1 0 479.739 5.188 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000033253344 526354150 /nfs/dbraw/zinc/35/41/50/526354150.db2.gz PVEVVPBPVKZIAU-UHFFFAOYSA-N -1 0 485.005 5.298 50 0 JKAARM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5)c(-c5ccccc5)n4c3=O)o2)c1 ZINC000033481032 526386966 /nfs/dbraw/zinc/38/69/66/526386966.db2.gz BTNMBHJNDCNHIP-ULJHMMPZSA-N -1 0 490.540 5.596 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)c1NC(=O)C1CC1 ZINC000033306655 526460063 /nfs/dbraw/zinc/46/00/63/526460063.db2.gz HRTLBUJBFDBNMD-VMPITWQZSA-N -1 0 481.958 5.157 50 0 JKAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2nc(-c3cccc(Br)c3)co2)c1 ZINC000033139008 526557221 /nfs/dbraw/zinc/55/72/21/526557221.db2.gz OLVCRSPNPQCNEU-UHFFFAOYSA-N -1 0 474.336 5.177 50 0 JKAARM Cc1sc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000020293983 526878668 /nfs/dbraw/zinc/87/86/68/526878668.db2.gz HMCQKKLPTYTFKL-UHFFFAOYSA-N -1 0 469.390 5.493 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157023 527205497 /nfs/dbraw/zinc/20/54/97/527205497.db2.gz QZBCRTCEKDULDB-OAQYLSRUSA-N -1 0 497.462 5.611 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626430 527205766 /nfs/dbraw/zinc/20/57/66/527205766.db2.gz UJURDDIPJPXNRI-OAQYLSRUSA-N -1 0 454.546 5.127 50 0 JKAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627119 527207376 /nfs/dbraw/zinc/20/73/76/527207376.db2.gz MMMQRBSMSLCAMX-IBGZPJMESA-N -1 0 474.417 5.023 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1C(F)(F)F ZINC000033025772 527245962 /nfs/dbraw/zinc/24/59/62/527245962.db2.gz VCXNDVBECKJLAL-UHFFFAOYSA-N -1 0 450.869 6.308 50 0 JKAARM O=C(Nc1ccccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006147015 527417599 /nfs/dbraw/zinc/41/75/99/527417599.db2.gz OMZWLYNNUAVQKC-UHFFFAOYSA-N -1 0 465.756 5.156 50 0 JKAARM O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000033567287 527433974 /nfs/dbraw/zinc/43/39/74/527433974.db2.gz VFYTUDVHNDANKL-UHFFFAOYSA-N -1 0 480.492 5.810 50 0 JKAARM O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147249 527500756 /nfs/dbraw/zinc/50/07/56/527500756.db2.gz CBETYIIGANGMOI-UHFFFAOYSA-N -1 0 453.520 5.002 50 0 JKAARM O=C([O-])C(NC(=O)c1ccccc1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 ZINC000041154840 527551049 /nfs/dbraw/zinc/55/10/49/527551049.db2.gz HBVONKSUQLNFBT-UHFFFAOYSA-N -1 0 476.406 6.562 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc(C(F)(F)F)c4)c(Cl)c1=O)(C3)C2 ZINC000016399456 527570125 /nfs/dbraw/zinc/57/01/25/527570125.db2.gz APEUGAWOFVIOQJ-NAZSJPOASA-N -1 0 481.902 5.429 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(Br)cc4)c(Cl)c1=O)(C3)C2 ZINC000016428696 527570464 /nfs/dbraw/zinc/57/04/64/527570464.db2.gz PUKJCYUPIVQVNY-NAZSJPOASA-N -1 0 492.801 5.173 50 0 JKAARM O=C([O-])CC[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000033369273 527597672 /nfs/dbraw/zinc/59/76/72/527597672.db2.gz UOWIRRUTUJSIFI-LJQANCHMSA-N -1 0 454.526 5.483 50 0 JKAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(I)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000008648708 527624251 /nfs/dbraw/zinc/62/42/51/527624251.db2.gz PXILNSZLMAZSLB-LLVKDONJSA-N -1 0 495.210 5.036 50 0 JKAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(I)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000008648707 527633358 /nfs/dbraw/zinc/63/33/58/527633358.db2.gz PXILNSZLMAZSLB-NSHDSACASA-N -1 0 495.210 5.036 50 0 JKAARM CCCCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)c1=O ZINC000102860793 535077672 /nfs/dbraw/zinc/07/76/72/535077672.db2.gz BMEWHYQXYXEZCL-UHFFFAOYSA-N -1 0 472.010 5.282 50 0 JKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000000627061 553714974 /nfs/dbraw/zinc/71/49/74/553714974.db2.gz RVGZAVLUWWFWKV-UHFFFAOYSA-N -1 0 470.356 5.271 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000000638688 553722654 /nfs/dbraw/zinc/72/26/54/553722654.db2.gz RCWKUKFWULFZOY-MYYYXRDXSA-N -1 0 496.494 5.349 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2)c1C ZINC000000672042 553745891 /nfs/dbraw/zinc/74/58/91/553745891.db2.gz DVGOYZBJCNZRRT-ONNFQVAWSA-N -1 0 466.346 5.051 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccccc3Oc3ccccc32)cc1 ZINC000000727346 553774544 /nfs/dbraw/zinc/77/45/44/553774544.db2.gz WBRQXZXOGRAPJI-UHFFFAOYSA-N -1 0 456.523 5.880 50 0 JKAARM COc1ccc(O)c([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)c1 ZINC000000759631 553778294 /nfs/dbraw/zinc/77/82/94/553778294.db2.gz BBCIKMQCVZXLTC-FQEVSTJZSA-N -1 0 477.460 5.745 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000000826770 553788729 /nfs/dbraw/zinc/78/87/29/553788729.db2.gz YWWUXQFYIYVNCZ-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)cc1C ZINC000000955927 553883653 /nfs/dbraw/zinc/88/36/53/553883653.db2.gz PSJPTDSPPRPMIU-UHFFFAOYSA-N -1 0 481.603 5.078 50 0 JKAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)n1 ZINC000000985308 553893179 /nfs/dbraw/zinc/89/31/79/553893179.db2.gz NAZFWHXRWCRTJR-UHFFFAOYSA-N -1 0 495.564 5.053 50 0 JKAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1 ZINC000001181245 553928714 /nfs/dbraw/zinc/92/87/14/553928714.db2.gz OBEMQNAGWOKCHX-UHFFFAOYSA-N -1 0 452.642 5.420 50 0 JKAARM Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C ZINC000001385897 553965918 /nfs/dbraw/zinc/96/59/18/553965918.db2.gz BUGIVHLQVOFIHK-UHFFFAOYSA-N -1 0 494.831 6.462 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000001867539 553999550 /nfs/dbraw/zinc/99/95/50/553999550.db2.gz SDUCRPRIVOTQMZ-UHFFFAOYSA-N -1 0 480.596 5.779 50 0 JKAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002100827 554042718 /nfs/dbraw/zinc/04/27/18/554042718.db2.gz GYIFDGMOJPFJNQ-VWLOTQADSA-N -1 0 481.504 5.308 50 0 biogenic JKAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002101736 554043001 /nfs/dbraw/zinc/04/30/01/554043001.db2.gz HQSHRBUJRYTZHG-QFIPXVFZSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCCCC(=O)[O-])occ3-c1ccccc1 ZINC000002105464 554046141 /nfs/dbraw/zinc/04/61/41/554046141.db2.gz JQOOXOCEFBSNIB-UHFFFAOYSA-N -1 0 461.514 5.208 50 0 biogenic JKAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002112663 554051229 /nfs/dbraw/zinc/05/12/29/554051229.db2.gz QEVXBZJTNQAORY-OAQYLSRUSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002112857 554051304 /nfs/dbraw/zinc/05/13/04/554051304.db2.gz UEKWCTOVBKYTRC-DEOSSOPVSA-N -1 0 475.541 5.289 50 0 biogenic JKAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002118926 554054794 /nfs/dbraw/zinc/05/47/94/554054794.db2.gz UWYYTTYOXNVVGS-JOCHJYFZSA-N -1 0 495.959 5.779 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000002120624 554055677 /nfs/dbraw/zinc/05/56/77/554055677.db2.gz SDLLQDBVRVEZIP-MUUNZHRXSA-N -1 0 495.531 5.698 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002120804 554055985 /nfs/dbraw/zinc/05/59/85/554055985.db2.gz IVZUZOQBVDDKLQ-AREMUKBSSA-N -1 0 495.531 5.616 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C(=O)[O-])(c5ccccc5)CC4)c(C)c3cc2c1C ZINC000002157492 554073197 /nfs/dbraw/zinc/07/31/97/554073197.db2.gz IMSCSHTYURQMGW-UHFFFAOYSA-N -1 0 487.552 5.042 50 0 biogenic JKAARM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002164600 554075210 /nfs/dbraw/zinc/07/52/10/554075210.db2.gz VAMRDZOYOBGLCL-XKZIYDEJSA-N -1 0 495.940 5.867 50 0 JKAARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1Cl ZINC000002169708 554076072 /nfs/dbraw/zinc/07/60/72/554076072.db2.gz FKEIATYBXDMVSM-GRSHGNNSSA-N -1 0 457.866 5.674 50 0 JKAARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1Cl ZINC000002169772 554076144 /nfs/dbraw/zinc/07/61/44/554076144.db2.gz UILODRZBENVJBK-GRSHGNNSSA-N -1 0 457.866 5.674 50 0 JKAARM Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000002235478 554107601 /nfs/dbraw/zinc/10/76/01/554107601.db2.gz DCYWIJIABYWUBZ-UHFFFAOYSA-N -1 0 482.359 5.398 50 0 JKAARM Clc1ccc(Nc2nc([N-]c3nc4ccccc4s3)nc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000002282220 554131428 /nfs/dbraw/zinc/13/14/28/554131428.db2.gz NZNDOAPPDAHTPL-UHFFFAOYSA-N -1 0 480.384 7.019 50 0 JKAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000002326272 554149479 /nfs/dbraw/zinc/14/94/79/554149479.db2.gz NXWAUEVYBBWKAJ-UHFFFAOYSA-N -1 0 469.342 5.719 50 0 JKAARM COc1ccc([C@@H]2C(CC(=O)[O-])=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000002349967 554161067 /nfs/dbraw/zinc/16/10/67/554161067.db2.gz UOFGTIGAKGEGNL-HHHXNRCGSA-N -1 0 472.541 5.249 50 0 JKAARM CCCCOc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002351049 554161610 /nfs/dbraw/zinc/16/16/10/554161610.db2.gz FRSZAUCYEJBYBX-UHFFFAOYSA-N -1 0 462.575 5.662 50 0 JKAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000002369101 554169434 /nfs/dbraw/zinc/16/94/34/554169434.db2.gz QVGANIUHCQZWEG-UHFFFAOYSA-N -1 0 494.960 5.025 50 0 JKAARM O=C([O-])C[C@H](Cc1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385941 554177507 /nfs/dbraw/zinc/17/75/07/554177507.db2.gz SZPFLELHTJMABC-SFHVURJKSA-N -1 0 480.358 5.374 50 0 JKAARM O=C([O-])C[C@@H](Cc1csc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385852 554177509 /nfs/dbraw/zinc/17/75/09/554177509.db2.gz AOUNLYYDVNQRKT-GOSISDBHSA-N -1 0 457.551 5.826 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1Cl ZINC000002389079 554178696 /nfs/dbraw/zinc/17/86/96/554178696.db2.gz JBFKUGQWZXNAMM-OAQYLSRUSA-N -1 0 456.325 6.048 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)c(C)c2)cc1 ZINC000002407543 554189825 /nfs/dbraw/zinc/18/98/25/554189825.db2.gz XFMHEMLMUGAXBI-UHFFFAOYSA-N -1 0 499.390 5.254 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002422053 554199083 /nfs/dbraw/zinc/19/90/83/554199083.db2.gz WZZQVAVKPQRPFH-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM CCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3cccs3)ccc21 ZINC000002423969 554199877 /nfs/dbraw/zinc/19/98/77/554199877.db2.gz UMRWGCZHHQSCJU-UHFFFAOYSA-N -1 0 499.621 6.364 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002435716 554207489 /nfs/dbraw/zinc/20/74/89/554207489.db2.gz OKPXWUBLQLHWPP-UHFFFAOYSA-N -1 0 498.564 5.975 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539235 554233523 /nfs/dbraw/zinc/23/35/23/554233523.db2.gz REHSJSKPWIOKIJ-LJAQVGFWSA-N -1 0 493.559 5.800 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002564729 554236280 /nfs/dbraw/zinc/23/62/80/554236280.db2.gz QNVHCYWPXIGFGN-QFIPXVFZSA-N -1 0 456.325 5.528 50 0 JKAARM O=C([O-])C[C@H](Cc1csc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575631 554237034 /nfs/dbraw/zinc/23/70/34/554237034.db2.gz AOUNLYYDVNQRKT-SFHVURJKSA-N -1 0 457.551 5.826 50 0 JKAARM CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000002631221 554253154 /nfs/dbraw/zinc/25/31/54/554253154.db2.gz SHPMBJUENOPQKZ-UHFFFAOYSA-N -1 0 471.987 6.199 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1C ZINC000002659374 554273539 /nfs/dbraw/zinc/27/35/39/554273539.db2.gz RGWUBKBHKIJSAJ-UHFFFAOYSA-N -1 0 470.019 5.918 50 0 JKAARM CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3cccnc31)c1ccccc21 ZINC000002685541 554282774 /nfs/dbraw/zinc/28/27/74/554282774.db2.gz PNINPRFDSYWEOQ-UHFFFAOYSA-N -1 0 460.511 5.420 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCCC5=CCCCC5)cc4)c3=O)c2c1 ZINC000002687901 554283741 /nfs/dbraw/zinc/28/37/41/554283741.db2.gz LJLCSZQMRGZWFP-UHFFFAOYSA-N -1 0 488.613 5.218 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000002699371 554293892 /nfs/dbraw/zinc/29/38/92/554293892.db2.gz KATWBZHGVSBFRT-UHFFFAOYSA-N -1 0 484.577 5.588 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3oc4cc(C)c(C)cc4c3C)cc2)c1C ZINC000002704488 554294910 /nfs/dbraw/zinc/29/49/10/554294910.db2.gz MFYLPWZYRKSYHG-UHFFFAOYSA-N -1 0 453.520 5.016 50 0 JKAARM COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C(=O)[O-])cc4)n2)Cc2ccccc2O3)cc1 ZINC000002715908 554301146 /nfs/dbraw/zinc/30/11/46/554301146.db2.gz YGBXTZKBVATPOP-UHFFFAOYSA-N -1 0 499.548 5.278 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)no1 ZINC000002760821 554331508 /nfs/dbraw/zinc/33/15/08/554331508.db2.gz LQUHTAPUNIHFNT-UHFFFAOYSA-N -1 0 482.370 5.558 50 0 JKAARM Cc1ccc2c(c1)sc(C(=O)Nc1ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc1)c2Cl ZINC000002763822 554332933 /nfs/dbraw/zinc/33/29/33/554332933.db2.gz DULZMICEFLKENB-UHFFFAOYSA-N -1 0 472.979 5.015 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002766895 554334133 /nfs/dbraw/zinc/33/41/33/554334133.db2.gz QCLXOTFTXRWJIK-LEWJYISDSA-N -1 0 481.614 6.245 50 0 JKAARM Cc1nn(Cc2ccc(-c3n[nH]c(=S)n3CCc3ccccc3)cc2)c(C)c1Br ZINC000002793384 554348864 /nfs/dbraw/zinc/34/88/64/554348864.db2.gz DQFDCKRVNZXUML-UHFFFAOYSA-N -1 0 468.424 5.475 50 0 JKAARM Cc1nn(Cc2cccc(-c3n[nH]c(=S)n3CCc3ccccc3)c2)c(C)c1Br ZINC000002793389 554348909 /nfs/dbraw/zinc/34/89/09/554348909.db2.gz RZHVSORMPSAGJT-UHFFFAOYSA-N -1 0 468.424 5.475 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3)c(Cl)cc2Cl)cc1 ZINC000002835600 554369378 /nfs/dbraw/zinc/36/93/78/554369378.db2.gz KIXOMGXFDBIYBK-UHFFFAOYSA-N -1 0 481.357 5.064 50 0 JKAARM CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Cl ZINC000002851192 554379371 /nfs/dbraw/zinc/37/93/71/554379371.db2.gz PZJZNOWYBKUBCK-UHFFFAOYSA-N -1 0 486.402 5.292 50 0 JKAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4c(-c4ccccc4)n3)cc1)C2=O ZINC000002878894 554400617 /nfs/dbraw/zinc/40/06/17/554400617.db2.gz JQZUDOFRTGMEAW-UHFFFAOYSA-N -1 0 471.472 5.463 50 0 JKAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2Cl)c1 ZINC000002879784 554401492 /nfs/dbraw/zinc/40/14/92/554401492.db2.gz IMWJYYCEEIPKTQ-UHFFFAOYSA-N -1 0 479.023 5.014 50 0 JKAARM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2)n1 ZINC000002890157 554408732 /nfs/dbraw/zinc/40/87/32/554408732.db2.gz LVGUJWMKVLSMQE-UHFFFAOYSA-N -1 0 496.976 5.892 50 0 JKAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1 ZINC000002891990 554409047 /nfs/dbraw/zinc/40/90/47/554409047.db2.gz FSWYRLDCYUORIK-JAIQZWGSSA-N -1 0 496.928 5.282 50 0 JKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc(Br)cc1 ZINC000003085970 554425841 /nfs/dbraw/zinc/42/58/41/554425841.db2.gz XMEQRHGICYMLRS-UHFFFAOYSA-N -1 0 457.922 6.013 50 0 JKAARM Nc1ccc(-c2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000003146877 554427737 /nfs/dbraw/zinc/42/77/37/554427737.db2.gz XXIQSIYMIYQLEI-UHFFFAOYSA-N -1 0 467.554 5.423 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(SC(F)F)cc1)c1cccs1 ZINC000003171225 554428185 /nfs/dbraw/zinc/42/81/85/554428185.db2.gz LJOJRKWAAQPSPD-UHFFFAOYSA-N -1 0 464.544 5.550 50 0 JKAARM COC(=O)c1ccc(COC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000003269594 554440014 /nfs/dbraw/zinc/44/00/14/554440014.db2.gz OAQIMKGLWDNKDT-UHFFFAOYSA-N -1 0 495.597 5.237 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(-c3ccc(C)cc3)nc(SCC(=O)N(C)c3ccccc3)c12 ZINC000003322394 554451297 /nfs/dbraw/zinc/45/12/97/554451297.db2.gz SULSAKAUFDZFQY-UHFFFAOYSA-N -1 0 463.584 5.428 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000004522136 554477712 /nfs/dbraw/zinc/47/77/12/554477712.db2.gz BARVEMQJXBFKFD-CQSZACIVSA-N -1 0 473.023 6.403 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000006060072 554500965 /nfs/dbraw/zinc/50/09/65/554500965.db2.gz SFCIJRKKAVHIJE-QGZVFWFLSA-N -1 0 460.603 6.305 50 0 JKAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006141559 554508440 /nfs/dbraw/zinc/50/84/40/554508440.db2.gz YSURTYMTCDQULV-LBPRGKRZSA-N -1 0 499.397 5.040 50 0 JKAARM COc1ccc(Cl)cc1N1C(=O)C(Nc2cccc(C(=O)[O-])c2)=C(Sc2ccccc2)C1=O ZINC000006144392 554510241 /nfs/dbraw/zinc/51/02/41/554510241.db2.gz PPXWCDMHHVVAGP-UHFFFAOYSA-N -1 0 480.929 5.036 50 0 JKAARM CC(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146053 554510392 /nfs/dbraw/zinc/51/03/92/554510392.db2.gz ZFYUZURTCIFTLZ-UHFFFAOYSA-N -1 0 473.392 5.626 50 0 JKAARM O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006146913 554510708 /nfs/dbraw/zinc/51/07/08/554510708.db2.gz AVTYCUPRTPSWNC-UHFFFAOYSA-N -1 0 469.777 5.378 50 0 JKAARM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147217 554510745 /nfs/dbraw/zinc/51/07/45/554510745.db2.gz XZGFBHLBTCCFIC-UHFFFAOYSA-N -1 0 462.502 5.671 50 0 JKAARM O=C(Nc1ccccc1NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147191 554510754 /nfs/dbraw/zinc/51/07/54/554510754.db2.gz IMCQNMFCTFRQEZ-UHFFFAOYSA-N -1 0 477.611 5.456 50 0 JKAARM O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147219 554510778 /nfs/dbraw/zinc/51/07/78/554510778.db2.gz VTAUTWIBYCFJBS-UHFFFAOYSA-N -1 0 462.502 5.671 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006146639 554510820 /nfs/dbraw/zinc/51/08/20/554510820.db2.gz FWHDDCBHYQFCRK-UHFFFAOYSA-N -1 0 490.556 5.766 50 0 JKAARM Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3cccc(Cl)c3)[n-]c2-c2ccccc2)cc1 ZINC000006150557 554511741 /nfs/dbraw/zinc/51/17/41/554511741.db2.gz LTFOKYOVKQHKHW-UHFFFAOYSA-N -1 0 465.962 5.118 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2[C@@H](C)CCCC(C)C)c1 ZINC000006170905 554514369 /nfs/dbraw/zinc/51/43/69/554514369.db2.gz SQVWTHMJQRKTDD-KRWDZBQOSA-N -1 0 474.652 5.804 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000008221271 554564369 /nfs/dbraw/zinc/56/43/69/554564369.db2.gz JXSVIVRDWWRQRT-UYDOISQJSA-N -1 0 488.709 5.033 50 0 biogenic,in-vivo JKAARM CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]2C(=O)[O-])C(=O)C1 ZINC000008387000 554570055 /nfs/dbraw/zinc/57/00/55/554570055.db2.gz XAJFPZPUIZSONS-WMQLAIGBSA-N -1 0 462.671 6.283 50 0 JKAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)c1ccccc1I ZINC000008387399 554570247 /nfs/dbraw/zinc/57/02/47/554570247.db2.gz YRMQFOZSJQOIHW-UHFFFAOYSA-N -1 0 455.298 5.032 50 0 JKAARM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1)c1ccccc1 ZINC000008438854 554589884 /nfs/dbraw/zinc/58/98/84/554589884.db2.gz ACHTWIVPFRIFJT-HEHNFIMWSA-N -1 0 496.394 5.427 50 0 JKAARM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2oc1-c1ccccc1 ZINC000008438950 554590093 /nfs/dbraw/zinc/59/00/93/554590093.db2.gz WPKHYVDDVILRNZ-UHFFFAOYSA-N -1 0 490.364 6.384 50 0 JKAARM COC(=O)c1c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2oc1C(C)(C)C ZINC000008439212 554590588 /nfs/dbraw/zinc/59/05/88/554590588.db2.gz JSZLXQTUEZWSQW-UHFFFAOYSA-N -1 0 487.577 6.624 50 0 JKAARM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439224 554590614 /nfs/dbraw/zinc/59/06/14/554590614.db2.gz URVZODXXLXOZDA-UHFFFAOYSA-N -1 0 456.347 5.806 50 0 JKAARM CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008453953 554599333 /nfs/dbraw/zinc/59/93/33/554599333.db2.gz BNCLUKHSEJVMNQ-STQMWFEESA-N -1 0 468.358 5.504 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000008455876 554600116 /nfs/dbraw/zinc/60/01/16/554600116.db2.gz NVZPDAJZNMZKRY-MOPGFXCFSA-N -1 0 471.619 6.027 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000008455879 554600125 /nfs/dbraw/zinc/60/01/25/554600125.db2.gz NVZPDAJZNMZKRY-RBUKOAKNSA-N -1 0 471.619 6.027 50 0 JKAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000008776376 554674471 /nfs/dbraw/zinc/67/44/71/554674471.db2.gz FSLSTXLVJADTNG-UHFFFAOYSA-N -1 0 466.975 5.187 50 0 JKAARM CC(=O)Oc1cc2c(cc1Cl)C(c1ccccc1C(=O)[O-])c1cc(Cl)c(OC(C)=O)cc1O2 ZINC000008782431 554679626 /nfs/dbraw/zinc/67/96/26/554679626.db2.gz PXEZTIWVRVSYOK-UHFFFAOYSA-N -1 0 487.291 5.828 50 0 in-vitro JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000008829210 554719623 /nfs/dbraw/zinc/71/96/23/554719623.db2.gz XQGHSLYQBZDYJO-HXUWFJFHSA-N -1 0 489.915 5.396 50 0 JKAARM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000008857267 554753624 /nfs/dbraw/zinc/75/36/24/554753624.db2.gz KASLOVBYQNWTCJ-IBGZPJMESA-N -1 0 486.881 5.403 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000008870992 554765892 /nfs/dbraw/zinc/76/58/92/554765892.db2.gz PQMZFUCGQXNKHZ-UHFFFAOYSA-N -1 0 460.603 6.134 50 0 JKAARM COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)N2CC(=O)[O-])cc1 ZINC000008892469 554780998 /nfs/dbraw/zinc/78/09/98/554780998.db2.gz YKYQAINIKBCLTM-XZOQPEGZSA-N -1 0 453.336 5.058 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000008922856 554820027 /nfs/dbraw/zinc/82/00/27/554820027.db2.gz RXRYPKODTJHOKM-HFZDXXHNSA-N -1 0 458.514 5.261 50 0 biogenic JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000008956099 554837018 /nfs/dbraw/zinc/83/70/18/554837018.db2.gz DFMUJEAOKZCRKK-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM COc1ccccc1C(=O)NC([N-]c1nc2c(ccc(Cl)c2C)s1)(C(F)(F)F)C(F)(F)F ZINC000008969376 554843235 /nfs/dbraw/zinc/84/32/35/554843235.db2.gz ACZHKXULYGUZCT-UHFFFAOYSA-N -1 0 497.848 5.930 50 0 JKAARM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Br)cc3)cc2O)cc1 ZINC000008971422 554843990 /nfs/dbraw/zinc/84/39/90/554843990.db2.gz FOXSCXTWIJAJIR-UHFFFAOYSA-N -1 0 467.319 5.925 50 0 JKAARM CCOc1ccccc1C(=O)NC([N-]c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F ZINC000008974640 554846139 /nfs/dbraw/zinc/84/61/39/554846139.db2.gz YAPKFEOFFVVOEA-UHFFFAOYSA-N -1 0 463.403 5.358 50 0 JKAARM CCOC(=O)c1c(C)nc([N-]c2nc3ccccc3s2)nc1CSc1ccc(C)cc1 ZINC000009015964 554866304 /nfs/dbraw/zinc/86/63/04/554866304.db2.gz QDCKRKAGUXGING-UHFFFAOYSA-N -1 0 450.589 5.916 50 0 JKAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000009043798 554869694 /nfs/dbraw/zinc/86/96/94/554869694.db2.gz LEVUPIPVWBNAMN-OAQYLSRUSA-N -1 0 486.355 5.483 50 0 JKAARM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000009046137 554870210 /nfs/dbraw/zinc/87/02/10/554870210.db2.gz WTBZXOCOKIPZQM-UHFFFAOYSA-N -1 0 463.921 5.855 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009057103 554876319 /nfs/dbraw/zinc/87/63/19/554876319.db2.gz DVSLBDAAWVEUTF-NAKRPHOHSA-N -1 0 472.516 5.225 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C)cc3)nc2c1 ZINC000009111340 554898739 /nfs/dbraw/zinc/89/87/39/554898739.db2.gz KZVNYKRJSHRKPX-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)n1 ZINC000009113595 554900741 /nfs/dbraw/zinc/90/07/41/554900741.db2.gz FPTFXAIGPHUIBV-UHFFFAOYSA-N -1 0 479.631 5.885 50 0 JKAARM CCCO[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000009136801 554932866 /nfs/dbraw/zinc/93/28/66/554932866.db2.gz KAQLBFOQIMVWFJ-XUZZJYLKSA-N -1 0 474.479 5.315 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009282860 555053089 /nfs/dbraw/zinc/05/30/89/555053089.db2.gz FJRJYSAVSSGWSB-UHFFFAOYSA-N -1 0 466.346 5.447 50 0 JKAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000009295839 555072200 /nfs/dbraw/zinc/07/22/00/555072200.db2.gz CRLBEYHWXWECSV-GORDUTHDSA-N -1 0 479.097 5.283 50 0 JKAARM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000009307597 555080610 /nfs/dbraw/zinc/08/06/10/555080610.db2.gz LGTRHQZPAVTYED-UBRKHCEVSA-N -1 0 480.564 5.258 50 0 JKAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3cccc(Cl)c3)CC4=O)nc(C)c2c1 ZINC000009344467 555109941 /nfs/dbraw/zinc/10/99/41/555109941.db2.gz DETUEHGPLCAVEQ-MRXNPFEDSA-N -1 0 459.937 5.437 50 0 JKAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3cccc(Cl)c3)CC4=O)nc(C)c2c1 ZINC000009344464 555109946 /nfs/dbraw/zinc/10/99/46/555109946.db2.gz DETUEHGPLCAVEQ-INIZCTEOSA-N -1 0 459.937 5.437 50 0 JKAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000009344814 555110121 /nfs/dbraw/zinc/11/01/21/555110121.db2.gz LERZCIHDFOKRCY-HXUWFJFHSA-N -1 0 491.982 6.705 50 0 JKAARM O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000009349174 555115804 /nfs/dbraw/zinc/11/58/04/555115804.db2.gz DSHOWXAZNURITN-JOCHJYFZSA-N -1 0 466.415 5.084 50 0 JKAARM CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4cc(Cl)ccc4C)n3c(=O)c21 ZINC000009350222 555117130 /nfs/dbraw/zinc/11/71/30/555117130.db2.gz BKUGIYZSWNCZRG-VWLOTQADSA-N -1 0 494.020 5.413 50 0 JKAARM CCc1csc([N-]S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 ZINC000009354762 555119136 /nfs/dbraw/zinc/11/91/36/555119136.db2.gz AJYJEKXSGDSJFC-UHFFFAOYSA-N -1 0 477.611 5.277 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000009354785 555119164 /nfs/dbraw/zinc/11/91/64/555119164.db2.gz ZSJKSUXYONYJSY-UHFFFAOYSA-N -1 0 477.611 5.788 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009354859 555119462 /nfs/dbraw/zinc/11/94/62/555119462.db2.gz MQTLYRIPLSBFOX-HSZRJFAPSA-N -1 0 484.581 5.452 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009368134 555130970 /nfs/dbraw/zinc/13/09/70/555130970.db2.gz LNXSNDIPGSJFIJ-VWLOTQADSA-N -1 0 464.525 5.082 50 0 JKAARM COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009404687 555163068 /nfs/dbraw/zinc/16/30/68/555163068.db2.gz GLZKUNCZXZNAAP-UHFFFAOYSA-N -1 0 480.567 5.049 50 0 JKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)c2c(n[nH]c2-c2ccc(Br)cc2)n1 ZINC000009406686 555167475 /nfs/dbraw/zinc/16/74/75/555167475.db2.gz HWGSPFFAQGABGV-UHFFFAOYSA-N -1 0 463.118 6.059 50 0 JKAARM Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)n3c4ccccc4c4ccccc43)n2)cc1 ZINC000009434857 555205787 /nfs/dbraw/zinc/20/57/87/555205787.db2.gz SHXVXERXWASTED-UHFFFAOYSA-N -1 0 471.607 6.323 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)CCSc2ccccc2)c1 ZINC000009444293 555217373 /nfs/dbraw/zinc/21/73/73/555217373.db2.gz KICRFBDJCWSBHD-UHFFFAOYSA-N -1 0 477.007 5.270 50 0 JKAARM COc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009468271 555247729 /nfs/dbraw/zinc/24/77/29/555247729.db2.gz MTUGSHVMBAXSBA-UHFFFAOYSA-N -1 0 496.516 5.059 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1C ZINC000009506913 555290583 /nfs/dbraw/zinc/29/05/83/555290583.db2.gz XEODLAPEWAGSMJ-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM O=C(CCC(=O)c1cccs1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000009545855 555339116 /nfs/dbraw/zinc/33/91/16/555339116.db2.gz DRQOMSCBBLFBRT-UHFFFAOYSA-N -1 0 483.398 5.457 50 0 JKAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000009636882 555344440 /nfs/dbraw/zinc/34/44/40/555344440.db2.gz GGNMGQHGQAUHCP-MHZLTWQESA-N -1 0 471.576 5.426 50 0 JKAARM Cc1ccc(-c2nc(-c3cc4cc(Br)ccc4oc3=O)sc2CC(=O)[O-])cc1 ZINC000009553703 555350055 /nfs/dbraw/zinc/35/00/55/555350055.db2.gz SWVYRLIPBKPFSY-UHFFFAOYSA-N -1 0 456.317 5.282 50 0 JKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000009645909 555358884 /nfs/dbraw/zinc/35/88/84/555358884.db2.gz RMAAXKOJOOQNGT-UHFFFAOYSA-N -1 0 451.953 5.055 50 0 JKAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3OC)cc2)n1 ZINC000009572473 555369210 /nfs/dbraw/zinc/36/92/10/555369210.db2.gz QYJJPBJZWUINHA-UHFFFAOYSA-N -1 0 469.611 5.067 50 0 JKAARM CC(=O)N(c1nc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cs1)c1ccc(F)cc1F ZINC000013299678 555372708 /nfs/dbraw/zinc/37/27/08/555372708.db2.gz TXMXKOQIMAXRCU-BQYQJAHWSA-N -1 0 451.454 5.523 50 0 JKAARM CCc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000013347451 555377647 /nfs/dbraw/zinc/37/76/47/555377647.db2.gz VJINUBDLJDGMMS-UHFFFAOYSA-N -1 0 466.588 5.612 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc1OC ZINC000013347484 555377659 /nfs/dbraw/zinc/37/76/59/555377659.db2.gz WVTSSYRCAYHJQV-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cccc(C)c4)ccc3s2)cc1 ZINC000013347513 555377721 /nfs/dbraw/zinc/37/77/21/555377721.db2.gz KEMKSUXOHTUWRD-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM CSc1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000013347613 555377961 /nfs/dbraw/zinc/37/79/61/555377961.db2.gz LLYBEYOTGLGEEB-UHFFFAOYSA-N -1 0 484.628 5.771 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c(OC)c1 ZINC000013347551 555377992 /nfs/dbraw/zinc/37/79/92/555377992.db2.gz HHELMXACRSZRCU-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)Nc1ccc(F)cc1F ZINC000013349280 555379127 /nfs/dbraw/zinc/37/91/27/555379127.db2.gz PHOCBCXIOXLWTC-UHFFFAOYSA-N -1 0 460.487 5.019 50 0 JKAARM Cc1ccc(CNC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000013349222 555379320 /nfs/dbraw/zinc/37/93/20/555379320.db2.gz RMKUKKHQHJPCMG-UHFFFAOYSA-N -1 0 480.615 5.344 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)Nc1cccc(Cl)c1 ZINC000013349355 555379505 /nfs/dbraw/zinc/37/95/05/555379505.db2.gz YAHAZEXEDZBTHI-UHFFFAOYSA-N -1 0 458.952 5.395 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c(C)c1 ZINC000013349405 555379579 /nfs/dbraw/zinc/37/95/79/555379579.db2.gz STLWZPFRZIHURF-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM COc1ccccc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349476 555379677 /nfs/dbraw/zinc/37/96/77/555379677.db2.gz UJJBNHFIWJAEQT-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM CCc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361380 555386972 /nfs/dbraw/zinc/38/69/72/555386972.db2.gz YXBXHDDJGOFJMI-UHFFFAOYSA-N -1 0 452.561 5.304 50 0 JKAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1ccc(F)c(Cl)c1 ZINC000013361370 555387005 /nfs/dbraw/zinc/38/70/05/555387005.db2.gz GXHHDJNSYAFGBW-UHFFFAOYSA-N -1 0 476.942 5.534 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361362 555387041 /nfs/dbraw/zinc/38/70/41/555387041.db2.gz FULRSHRGJNMXPP-UHFFFAOYSA-N -1 0 488.978 5.403 50 0 JKAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1ccc(F)cc1F ZINC000013361412 555387401 /nfs/dbraw/zinc/38/74/01/555387401.db2.gz ZCFRCZJACICKFM-UHFFFAOYSA-N -1 0 460.487 5.019 50 0 JKAARM Cn1c(SCc2c(C(=O)[O-])sc3cccc(F)c32)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000013396498 555395210 /nfs/dbraw/zinc/39/52/10/555395210.db2.gz OREVYTKOOPOSPN-UHFFFAOYSA-N -1 0 455.580 6.124 50 0 JKAARM COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013465382 555401647 /nfs/dbraw/zinc/40/16/47/555401647.db2.gz UMUXAMJXLBOQNN-KRWDZBQOSA-N -1 0 473.447 6.093 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000009678565 555402734 /nfs/dbraw/zinc/40/27/34/555402734.db2.gz YDEWEXVHUVHARJ-RUZDIDTESA-N -1 0 454.526 5.086 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679527 555406510 /nfs/dbraw/zinc/40/65/10/555406510.db2.gz XJYAZFMUHQWBNO-QFIPXVFZSA-N -1 0 492.329 5.359 50 0 JKAARM CN(C(=O)C(=C([O-])c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O)C1CCCCC1 ZINC000009601244 555425771 /nfs/dbraw/zinc/42/57/71/555425771.db2.gz FNDNVYWTPYRIID-IBGZPJMESA-N -1 0 455.769 5.024 50 0 JKAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000009601652 555426811 /nfs/dbraw/zinc/42/68/11/555426811.db2.gz BWKPXEHQJPBKRY-UHFFFAOYSA-N -1 0 499.390 5.335 50 0 JKAARM COc1cc(OC)c(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)cc1Cl ZINC000009611662 555444084 /nfs/dbraw/zinc/44/40/84/555444084.db2.gz FPIJGQYIKXQHHG-UHFFFAOYSA-N -1 0 486.977 5.213 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCCC1 ZINC000009611659 555444138 /nfs/dbraw/zinc/44/41/38/555444138.db2.gz VTRPCVXILMWHHH-UHFFFAOYSA-N -1 0 456.951 5.205 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(=O)c3cccs3)ccc2Cl)cc1 ZINC000009631543 555460523 /nfs/dbraw/zinc/46/05/23/555460523.db2.gz YUHHBIZXMBXMMZ-UHFFFAOYSA-N -1 0 493.006 5.203 50 0 JKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000009731106 555467591 /nfs/dbraw/zinc/46/75/91/555467591.db2.gz JEGLQMDWQDDPPI-UHFFFAOYSA-N -1 0 450.519 6.581 50 0 JKAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)c1)C2=O ZINC000009761255 555485553 /nfs/dbraw/zinc/48/55/53/555485553.db2.gz BPMXHAKAJHRCBJ-UHFFFAOYSA-N -1 0 489.698 5.398 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)c(Cl)c4)=NN32)c(C(=O)[O-])c1OC ZINC000013552685 555492957 /nfs/dbraw/zinc/49/29/57/555492957.db2.gz SNIMEQHMORWIBL-NTKDMRAZSA-N -1 0 499.350 5.951 50 0 JKAARM CCCCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)n(-c2ccc(C)c(C)c2)c1=O ZINC000013571372 555509933 /nfs/dbraw/zinc/50/99/33/555509933.db2.gz MOCWJCIIBVARJL-UHFFFAOYSA-N -1 0 494.642 5.238 50 0 JKAARM Cc1ccc(C)c(NC(=O)[C@@H](Sc2ccccc2[N-]C(=S)Nc2ccccc2)c2ccccc2)c1 ZINC000013578932 555517435 /nfs/dbraw/zinc/51/74/35/555517435.db2.gz KKHCBMSAYXOAIN-MHZLTWQESA-N -1 0 497.689 7.584 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579190 555518278 /nfs/dbraw/zinc/51/82/78/555518278.db2.gz OODPTIKCFCDSDM-QZZNQRLBSA-N -1 0 460.555 5.502 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009858068 555559337 /nfs/dbraw/zinc/55/93/37/555559337.db2.gz WBFRFYKFAWZFRU-UHFFFAOYSA-N -1 0 473.385 5.392 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)c(Nc3cc(C)c(Cl)cc3OC)nc2c1 ZINC000009858102 555559683 /nfs/dbraw/zinc/55/96/83/555559683.db2.gz MMCRAUOKODCXBP-UHFFFAOYSA-N -1 0 498.992 5.462 50 0 JKAARM COc1cc(OC)c(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000009858090 555559693 /nfs/dbraw/zinc/55/96/93/555559693.db2.gz QBVCCLGXGYGOLA-UHFFFAOYSA-N -1 0 498.992 5.462 50 0 JKAARM COc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C(=O)[O-])c3)c1C2 ZINC000009859324 555561092 /nfs/dbraw/zinc/56/10/92/555561092.db2.gz KEFQZMMINRJCSO-UHFFFAOYSA-N -1 0 499.548 5.278 50 0 JKAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000009994741 555588745 /nfs/dbraw/zinc/58/87/45/555588745.db2.gz WUDNDEVPDBOFEL-INIZCTEOSA-N -1 0 456.608 5.572 50 0 JKAARM O=C(Nc1nc2ccccc2s1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013724230 555599666 /nfs/dbraw/zinc/59/96/66/555599666.db2.gz WBWBKMPXAHSSRN-UHFFFAOYSA-N -1 0 484.559 5.098 50 0 JKAARM Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)n1 ZINC000013727447 555601257 /nfs/dbraw/zinc/60/12/57/555601257.db2.gz GGLYZNXRLZIYPM-IBGZPJMESA-N -1 0 473.920 5.421 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000010060051 555612029 /nfs/dbraw/zinc/61/20/29/555612029.db2.gz BRLRINYPPSFWQI-UHFFFAOYSA-N -1 0 495.384 5.372 50 0 JKAARM O=C([O-])CSC1=NC(=Nc2ccc(Cl)cc2)C2(CCCC2)N1c1ccc(Br)cc1 ZINC000020058008 555621983 /nfs/dbraw/zinc/62/19/83/555621983.db2.gz TUPSHFFQSKOVRK-UHFFFAOYSA-N -1 0 492.826 6.139 50 0 JKAARM O=C(c1cnc2c(c1)c(-c1ccc(Br)cc1)nn2-c1ccccc1)c1ccccc1[O-] ZINC000020095035 555631904 /nfs/dbraw/zinc/63/19/04/555631904.db2.gz PUMPTZXWIDUKNZ-UHFFFAOYSA-N -1 0 470.326 5.787 50 0 JKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 ZINC000013881515 555640161 /nfs/dbraw/zinc/64/01/61/555640161.db2.gz MHMFCDDYAXSOHF-UHFFFAOYSA-N -1 0 452.466 5.262 50 0 JKAARM O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000013898311 555644811 /nfs/dbraw/zinc/64/48/11/555644811.db2.gz LJFYCHWXPCCHOT-UHFFFAOYSA-N -1 0 464.384 6.458 50 0 JKAARM COc1cccc2cc(-c3nc(-c4ccc(Cc5ccccc5)cc4)c(CC(=O)[O-])s3)c(=O)oc21 ZINC000013898980 555645470 /nfs/dbraw/zinc/64/54/70/555645470.db2.gz ZWORKCMZTAWTRM-UHFFFAOYSA-N -1 0 483.545 5.810 50 0 JKAARM Cc1ccnc(O[C@H](C(=O)[O-])C(OCCC2CCCCC2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000013899594 555645834 /nfs/dbraw/zinc/64/58/34/555645834.db2.gz WDJRFZYMUBXAOQ-RUZDIDTESA-N -1 0 496.554 5.826 50 0 JKAARM CCCCCOC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000013943527 555654721 /nfs/dbraw/zinc/65/47/21/555654721.db2.gz PCOBHYKLKBAJCY-QHCPKHFHSA-N -1 0 470.516 5.354 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000010232772 555657249 /nfs/dbraw/zinc/65/72/49/555657249.db2.gz DSOITUIDUFJKLY-UHFFFAOYSA-N -1 0 467.481 5.909 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000020168165 555678641 /nfs/dbraw/zinc/67/86/41/555678641.db2.gz CUYHJPPIIDJYEG-ROUUACIJSA-N -1 0 455.576 5.495 50 0 JKAARM COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000010323124 555683183 /nfs/dbraw/zinc/68/31/83/555683183.db2.gz YDRMCRDBNUXAHZ-UHFFFAOYSA-N -1 0 496.516 5.059 50 0 JKAARM CCCn1c(=O)cc([O-])nc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000014093764 555686230 /nfs/dbraw/zinc/68/62/30/555686230.db2.gz AZVLHRZQFJGQGH-LJQANCHMSA-N -1 0 497.926 5.503 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3)c2)cc1Cl ZINC000014115606 555691881 /nfs/dbraw/zinc/69/18/81/555691881.db2.gz DHJMAUIGQNZNPZ-UHFFFAOYSA-N -1 0 495.384 5.372 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014243543 555745500 /nfs/dbraw/zinc/74/55/00/555745500.db2.gz JXSVIVRDWWRQRT-WPJUMGLZSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM Cc1ccc(-c2nc(C(=O)[N-]n3cnc4scc(-c5cccs5)c4c3=O)cs2)cc1 ZINC000014253700 555755517 /nfs/dbraw/zinc/75/55/17/555755517.db2.gz RPDGAEUNYXLPEG-UHFFFAOYSA-N -1 0 450.570 5.002 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000011617280 555792530 /nfs/dbraw/zinc/79/25/30/555792530.db2.gz UKHXFNMEESCBBU-QHCPKHFHSA-N -1 0 499.954 5.391 50 0 JKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3c(Cl)cccc3Cl)o2)nc2ccc(Br)cc21 ZINC000011692874 555801929 /nfs/dbraw/zinc/80/19/29/555801929.db2.gz BIDPMVLWUZEYRE-AATRIKPKSA-N -1 0 489.152 7.433 50 0 JKAARM COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000020568978 555822633 /nfs/dbraw/zinc/82/26/33/555822633.db2.gz DVQJEXMXWGYFBN-MOPGFXCFSA-N -1 0 469.603 5.885 50 0 JKAARM COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000020568984 555822682 /nfs/dbraw/zinc/82/26/82/555822682.db2.gz DVQJEXMXWGYFBN-RBUKOAKNSA-N -1 0 469.603 5.885 50 0 JKAARM COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000015010106 555853676 /nfs/dbraw/zinc/85/36/76/555853676.db2.gz IWXPCBSANHRWFG-QRVIBDJDSA-N -1 0 493.512 5.348 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000011915828 555867116 /nfs/dbraw/zinc/86/71/16/555867116.db2.gz RJCOZRGUZUHGCB-UHFFFAOYSA-N -1 0 453.454 5.601 50 0 JKAARM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000011915830 555867209 /nfs/dbraw/zinc/86/72/09/555867209.db2.gz JHRNVWDIIVSTHP-UHFFFAOYSA-N -1 0 495.491 5.769 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1Br ZINC000015082336 555873239 /nfs/dbraw/zinc/87/32/39/555873239.db2.gz MOSMDFVQKMMOTH-CYBMUJFWSA-N -1 0 476.323 5.498 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1Br ZINC000015082334 555873327 /nfs/dbraw/zinc/87/33/27/555873327.db2.gz MOSMDFVQKMMOTH-ZDUSSCGKSA-N -1 0 476.323 5.498 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(OC2CCCC2)cc1 ZINC000015082343 555873349 /nfs/dbraw/zinc/87/33/49/555873349.db2.gz QUMFBRXPBOIEDB-IBGZPJMESA-N -1 0 451.519 6.048 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000015082769 555873490 /nfs/dbraw/zinc/87/34/90/555873490.db2.gz TUKWLSRXTMVGKV-OAQYLSRUSA-N -1 0 473.525 6.306 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC1CCCC1 ZINC000015082707 555873682 /nfs/dbraw/zinc/87/36/82/555873682.db2.gz PTUHDOPPYGRMNC-GOSISDBHSA-N -1 0 481.545 6.057 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC1CCCC1 ZINC000015107440 555877673 /nfs/dbraw/zinc/87/76/73/555877673.db2.gz OHXWBDFCECUCAF-SFHVURJKSA-N -1 0 463.555 5.917 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC1CCCC1 ZINC000015107245 555877697 /nfs/dbraw/zinc/87/76/97/555877697.db2.gz PGEHWXURYFUHGT-SFHVURJKSA-N -1 0 463.555 5.917 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1Cl ZINC000012112462 555908666 /nfs/dbraw/zinc/90/86/66/555908666.db2.gz KMKOVTRTOOARNN-UHFFFAOYSA-N -1 0 498.029 5.602 50 0 JKAARM CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112486 555908682 /nfs/dbraw/zinc/90/86/82/555908682.db2.gz BBMNPFKCFMMLNG-UHFFFAOYSA-N -1 0 491.638 5.511 50 0 JKAARM Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012112482 555908903 /nfs/dbraw/zinc/90/89/03/555908903.db2.gz YMZGUSRPBXZHAE-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3c(C)cccc3C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112527 555909062 /nfs/dbraw/zinc/90/90/62/555909062.db2.gz RGRCDIFHMHTHMI-UHFFFAOYSA-N -1 0 491.638 5.566 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112525 555909384 /nfs/dbraw/zinc/90/93/84/555909384.db2.gz DODPLBUDVPNBOY-UHFFFAOYSA-N -1 0 481.574 5.088 50 0 JKAARM CC(C)(C)OC(=O)N1CCC[C@@H](C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446425 555909426 /nfs/dbraw/zinc/90/94/26/555909426.db2.gz WPCUPMFUJBWUFE-MHECFPHRSA-N -1 0 494.588 5.016 50 0 JKAARM CC(C)(C)OC(=O)N1CCC[C@H](C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446431 555909557 /nfs/dbraw/zinc/90/95/57/555909557.db2.gz WPCUPMFUJBWUFE-KOSHJBKYSA-N -1 0 494.588 5.016 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2c1cccc2C(F)(F)F ZINC000012130036 555911332 /nfs/dbraw/zinc/91/13/32/555911332.db2.gz DZWMJTDIVNAQMI-UHFFFAOYSA-N -1 0 452.215 7.186 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1C ZINC000015633188 555920585 /nfs/dbraw/zinc/92/05/85/555920585.db2.gz OTYRQAHLZGHOMA-UHFFFAOYSA-N -1 0 471.387 5.425 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000015669810 555924480 /nfs/dbraw/zinc/92/44/80/555924480.db2.gz UWYWFFRBUOSARW-UHFFFAOYSA-N -1 0 495.491 5.672 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000015669825 555924548 /nfs/dbraw/zinc/92/45/48/555924548.db2.gz DGAFQMJSXPLVID-UHFFFAOYSA-N -1 0 486.911 6.623 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 ZINC000015669807 555924592 /nfs/dbraw/zinc/92/45/92/555924592.db2.gz DHUAUPCIAQJQNW-KRWDZBQOSA-N -1 0 493.519 6.224 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)N1CCc2ccccc2C1 ZINC000015671512 555928714 /nfs/dbraw/zinc/92/87/14/555928714.db2.gz FGBDEUNIKJQFLW-UHFFFAOYSA-N -1 0 479.005 5.094 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccc(Br)cc1 ZINC000015671505 555928764 /nfs/dbraw/zinc/92/87/64/555928764.db2.gz ODLKMDPGPHFENF-UHFFFAOYSA-N -1 0 483.391 5.257 50 0 JKAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000015721701 555956230 /nfs/dbraw/zinc/95/62/30/555956230.db2.gz GFULWLRDJMLHCD-XMMPIXPASA-N -1 0 491.653 6.468 50 0 JKAARM [O-]c1c([C@H](c2ccccc2Cl)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851866 555958533 /nfs/dbraw/zinc/95/85/33/555958533.db2.gz UZWXBFJGXMBENE-NRFANRHFSA-N -1 0 492.004 5.321 50 0 JKAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000012363719 555958975 /nfs/dbraw/zinc/95/89/75/555958975.db2.gz QKPFSLUFBJMPHS-JAIQZWGSSA-N -1 0 496.928 5.282 50 0 JKAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852222 555959177 /nfs/dbraw/zinc/95/91/77/555959177.db2.gz JJOYHGRARTUNFD-HSZRJFAPSA-N -1 0 488.588 5.940 50 0 JKAARM COc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@H](C)C(=O)[O-])c1 ZINC000012364885 555959868 /nfs/dbraw/zinc/95/98/68/555959868.db2.gz XGAICFLKIPNUFE-WOOJDVGNSA-N -1 0 480.601 6.236 50 0 JKAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000022852522 555959946 /nfs/dbraw/zinc/95/99/46/555959946.db2.gz FWTZXFFCAXSBAH-KRWDZBQOSA-N -1 0 463.390 5.885 50 0 JKAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000022852524 555959960 /nfs/dbraw/zinc/95/99/60/555959960.db2.gz FWTZXFFCAXSBAH-QGZVFWFLSA-N -1 0 463.390 5.885 50 0 JKAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854582 555960837 /nfs/dbraw/zinc/96/08/37/555960837.db2.gz CYWKFRJJEZTKSB-HXUWFJFHSA-N -1 0 488.444 5.277 50 0 JKAARM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854727 555961185 /nfs/dbraw/zinc/96/11/85/555961185.db2.gz UBFVTSQPICMNPL-XMMPIXPASA-N -1 0 475.662 5.089 50 0 JKAARM O=S(=O)([N-]CCSCc1ccccc1Cl)c1c(Cl)sc(Cl)c1Br ZINC000012369374 555961231 /nfs/dbraw/zinc/96/12/31/555961231.db2.gz DMWGDCZNOWJHTQ-UHFFFAOYSA-N -1 0 495.700 5.683 50 0 JKAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854760 555961474 /nfs/dbraw/zinc/96/14/74/555961474.db2.gz JHNCZOQSFYWDKI-HXUWFJFHSA-N -1 0 488.444 5.277 50 0 JKAARM O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)Nc1ccc(C(=O)[O-])cc1 ZINC000012377809 555966483 /nfs/dbraw/zinc/96/64/83/555966483.db2.gz WBNVRLJYZZLWQA-VKAVYKQESA-N -1 0 459.505 6.043 50 0 JKAARM CC[C@H](C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1)c1ccccc1 ZINC000015729300 555969590 /nfs/dbraw/zinc/96/95/90/555969590.db2.gz GFWVKLVJIBUDGX-FQEVSTJZSA-N -1 0 465.600 5.538 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccsc2)n1 ZINC000012521143 555992304 /nfs/dbraw/zinc/99/23/04/555992304.db2.gz HUXHKDBYXDBQPV-UHFFFAOYSA-N -1 0 488.587 5.477 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000015781892 556001104 /nfs/dbraw/zinc/00/11/04/556001104.db2.gz KMFOVTKJOTUKJD-GOSISDBHSA-N -1 0 466.456 5.109 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C)c1 ZINC000023043267 556002054 /nfs/dbraw/zinc/00/20/54/556002054.db2.gz PFPNTRWIFGBMSZ-UHFFFAOYSA-N -1 0 489.391 5.209 50 0 JKAARM Cc1nn(-c2ccccc2)c(C)c1/C=C1\C[C@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000012532338 556002306 /nfs/dbraw/zinc/00/23/06/556002306.db2.gz TXTSUCDEUNVKTK-UZLGTAQGSA-N -1 0 465.597 6.885 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1NC(=O)Nc1ccccc1 ZINC000012541744 556016235 /nfs/dbraw/zinc/01/62/35/556016235.db2.gz MNARXWAKBRNWEN-UHFFFAOYSA-N -1 0 490.379 5.293 50 0 JKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)oc1ccccc12 ZINC000012546638 556022911 /nfs/dbraw/zinc/02/29/11/556022911.db2.gz VGKLCYTXYZPQEI-UHFFFAOYSA-N -1 0 487.621 6.863 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157215 556025553 /nfs/dbraw/zinc/02/55/53/556025553.db2.gz DTCPAPUQYPGWND-JOCHJYFZSA-N -1 0 482.053 5.493 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000015858771 556025891 /nfs/dbraw/zinc/02/58/91/556025891.db2.gz VUVPLFNQLCXFEW-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015858769 556025949 /nfs/dbraw/zinc/02/59/49/556025949.db2.gz XZOKKBGBRKGTHF-UHFFFAOYSA-N -1 0 486.519 5.908 50 0 JKAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157784 556026182 /nfs/dbraw/zinc/02/61/82/556026182.db2.gz FGCYBEOLTKRYBW-LJQANCHMSA-N -1 0 474.417 5.023 50 0 JKAARM Cc1cccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3cccc(C(=O)[O-])c3)n2)c1 ZINC000015860636 556032124 /nfs/dbraw/zinc/03/21/24/556032124.db2.gz VTVBJSYKKUMUDI-UHFFFAOYSA-N -1 0 487.606 6.179 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccccc4C)cc3C)s2)cc1 ZINC000015862032 556034549 /nfs/dbraw/zinc/03/45/49/556034549.db2.gz RYRZMEIEHRHZSN-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM Cc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862034 556034799 /nfs/dbraw/zinc/03/47/99/556034799.db2.gz RFLDQVPZGODBKO-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CC4CCCCC4)cc3C)s2)cc1 ZINC000015862047 556034868 /nfs/dbraw/zinc/03/48/68/556034868.db2.gz BYVUVPAGLKVVSG-UHFFFAOYSA-N -1 0 457.621 5.623 50 0 JKAARM CC[C@H](C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000015862086 556035162 /nfs/dbraw/zinc/03/51/62/556035162.db2.gz YBHMOOLIEPTLCD-IBGZPJMESA-N -1 0 451.573 5.229 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccc(Br)cc1 ZINC000015862095 556035246 /nfs/dbraw/zinc/03/52/46/556035246.db2.gz MGJMJSFXEHLSEX-UHFFFAOYSA-N -1 0 488.388 5.112 50 0 JKAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(Nc4ccccc4C(F)(F)F)s3)c12 ZINC000012554136 556038246 /nfs/dbraw/zinc/03/82/46/556038246.db2.gz NHXZAXBKLRYHDM-UHFFFAOYSA-N -1 0 498.533 5.502 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000015870701 556050434 /nfs/dbraw/zinc/05/04/34/556050434.db2.gz YDEXHAMLDZNLCT-UHFFFAOYSA-N -1 0 455.967 5.119 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cc(F)ccc1F ZINC000015870823 556051443 /nfs/dbraw/zinc/05/14/43/556051443.db2.gz UUWHRRHRFDQMAG-UHFFFAOYSA-N -1 0 489.547 5.890 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3Cl)CCC[C@@H]2[C@@H]1c1ccccc1Cl ZINC000012564354 556060101 /nfs/dbraw/zinc/06/01/01/556060101.db2.gz ALXMPPFYNAVIHA-GVEOXPPKSA-N -1 0 457.357 5.981 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012564386 556060120 /nfs/dbraw/zinc/06/01/20/556060120.db2.gz JOYHRMKKXOGCEG-UHFFFAOYSA-N -1 0 452.576 5.354 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N=Cc1c(C)nn(-c3ccc(Cl)cc3)c1O2 ZINC000012564516 556060392 /nfs/dbraw/zinc/06/03/92/556060392.db2.gz UESDXCTVKVVINA-UHFFFAOYSA-N -1 0 494.960 5.500 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(\CC(=O)[O-])c3nc4ccccc4s3)cc2OC)cc1 ZINC000015910717 556064528 /nfs/dbraw/zinc/06/45/28/556064528.db2.gz UICRYFWFKPWZNZ-DEDYPNTBSA-N -1 0 489.549 5.686 50 0 JKAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000015911084 556064876 /nfs/dbraw/zinc/06/48/76/556064876.db2.gz PYFZMJDXTLBVOB-UHFFFAOYSA-N -1 0 486.475 5.396 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1C ZINC000015911096 556064903 /nfs/dbraw/zinc/06/49/03/556064903.db2.gz GTRAIXMMOZHWJG-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1cccc2ccccc21 ZINC000015911106 556064907 /nfs/dbraw/zinc/06/49/07/556064907.db2.gz FQSIVXBMLKKQKK-UHFFFAOYSA-N -1 0 496.636 6.933 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000015911224 556065085 /nfs/dbraw/zinc/06/50/85/556065085.db2.gz RFPNHRUUJFWJOD-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc2ccccc2c1 ZINC000015911218 556065211 /nfs/dbraw/zinc/06/52/11/556065211.db2.gz JFDWOVKFIJQWMR-UHFFFAOYSA-N -1 0 458.518 5.775 50 0 JKAARM O=C([O-])Cc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000023505062 556076067 /nfs/dbraw/zinc/07/60/67/556076067.db2.gz PGDGLESFCCNOTO-UHFFFAOYSA-N -1 0 453.519 5.801 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@@H](C)C(=O)Nc3ccccc3C)nc2c1 ZINC000023542284 556077520 /nfs/dbraw/zinc/07/75/20/556077520.db2.gz VRSWWBVOPRPAKM-INIZCTEOSA-N -1 0 497.598 5.065 50 0 JKAARM COc1ccc(Cl)cc1NC(=S)N(Cc1ccccc1C)CC1CCC(C(=O)[O-])CC1 ZINC000015962348 556093137 /nfs/dbraw/zinc/09/31/37/556093137.db2.gz ICOSHNBUIVFXOY-UHFFFAOYSA-N -1 0 461.027 5.747 50 0 JKAARM COc1ccc(CN(CC2CCC(C(=O)[O-])CC2)C(=S)Nc2cc(Cl)ccc2OC)cc1 ZINC000015962034 556093253 /nfs/dbraw/zinc/09/32/53/556093253.db2.gz DLXORCOURIUMOB-UHFFFAOYSA-N -1 0 477.026 5.447 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000015980458 556099250 /nfs/dbraw/zinc/09/92/50/556099250.db2.gz DTXDVFXCYKVRJJ-UHFFFAOYSA-N -1 0 499.803 5.637 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2ccccc2)cc1NC(C)=O ZINC000012901008 556125981 /nfs/dbraw/zinc/12/59/81/556125981.db2.gz REBJRCWBKJTXRE-UHFFFAOYSA-N -1 0 462.980 5.259 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2cccc(OCCC(C)C)c2)cc1 ZINC000024193215 556126600 /nfs/dbraw/zinc/12/66/00/556126600.db2.gz BIYHDEWEHDOGHK-RUZDIDTESA-N -1 0 491.609 5.751 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000016425446 556138559 /nfs/dbraw/zinc/13/85/59/556138559.db2.gz OYWLPTIUXDDOHQ-SFTDATJTSA-N -1 0 498.023 5.721 50 0 JKAARM CC(C)=CCN1C(=O)NC(=Cc2c(=O)n(-c3ccccc3C)[n-]c2-c2ccc(Cl)cc2)C1=O ZINC000016534118 556142382 /nfs/dbraw/zinc/14/23/82/556142382.db2.gz BDWSJJLQIVZTJY-ZHZULCJRSA-N -1 0 462.937 5.066 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)NCc2ccccc2)c1 ZINC000025149028 556188763 /nfs/dbraw/zinc/18/87/63/556188763.db2.gz BUBCPJHGUDMQQX-UHFFFAOYSA-N -1 0 472.566 5.093 50 0 JKAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]c2nnc(-c3cccs3)o2)c1 ZINC000013015876 556207368 /nfs/dbraw/zinc/20/73/68/556207368.db2.gz FXECONSJQFSBLU-UHFFFAOYSA-N -1 0 460.968 5.410 50 0 JKAARM CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017143409 556225032 /nfs/dbraw/zinc/22/50/32/556225032.db2.gz HBRNVJPGPIDHOC-NEWSRXKRSA-N -1 0 455.576 5.462 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000017206533 556240641 /nfs/dbraw/zinc/24/06/41/556240641.db2.gz ZSMJAJNSHJDWCP-UHFFFAOYSA-N -1 0 482.565 6.275 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000017206822 556240753 /nfs/dbraw/zinc/24/07/53/556240753.db2.gz CUZMFBAOAFKAHO-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2Cl)c1 ZINC000017207914 556241114 /nfs/dbraw/zinc/24/11/14/556241114.db2.gz ANUPOTQGXWEPKN-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000017248425 556247539 /nfs/dbraw/zinc/24/75/39/556247539.db2.gz PRJXGNGIODHKCL-UHFFFAOYSA-N -1 0 474.464 5.202 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1cc(Cl)ccc1Cl ZINC000017251245 556247901 /nfs/dbraw/zinc/24/79/01/556247901.db2.gz RWLIASBWSTUYQX-UHFFFAOYSA-N -1 0 451.379 5.482 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4c(C)cccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000017315318 556257131 /nfs/dbraw/zinc/25/71/31/556257131.db2.gz LNEDRNGRTAFGNA-UHFFFAOYSA-N -1 0 498.655 5.251 50 0 JKAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000013068683 556265079 /nfs/dbraw/zinc/26/50/79/556265079.db2.gz GYZDSVUNRVXIRB-GOSISDBHSA-N -1 0 489.380 5.283 50 0 JKAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccc(Oc2ccccc2)c1 ZINC000013097889 556295486 /nfs/dbraw/zinc/29/54/86/556295486.db2.gz OWEJSZUOFOVWLQ-UHFFFAOYSA-N -1 0 450.541 5.594 50 0 JKAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCCCOc1cc(C)c(Cl)c(C)c1 ZINC000027552214 556296824 /nfs/dbraw/zinc/29/68/24/556296824.db2.gz WQPONXPQUJKECF-WQRHYEAKSA-N -1 0 479.360 5.037 50 0 JKAARM CCCCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000018173468 556297989 /nfs/dbraw/zinc/29/79/89/556297989.db2.gz NJTHHGPXTZRHLG-YIORGNESSA-N -1 0 495.575 5.281 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccc(Cl)cc3)no2)cc1C ZINC000027582554 556300167 /nfs/dbraw/zinc/30/01/67/556300167.db2.gz CQOYDACZEKAFLR-UHFFFAOYSA-N -1 0 485.927 6.863 50 0 JKAARM CCc1ccccc1Cc1cc(C)cc(C)c1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000018194789 556302074 /nfs/dbraw/zinc/30/20/74/556302074.db2.gz FVGCQEXVXNGMFY-UHFFFAOYSA-N -1 0 463.426 6.443 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027662617 556302091 /nfs/dbraw/zinc/30/20/91/556302091.db2.gz DXNTYABPPQYTCD-UHFFFAOYSA-N -1 0 467.481 5.909 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000027662621 556302137 /nfs/dbraw/zinc/30/21/37/556302137.db2.gz KFDQUTYQYMCSKO-UHFFFAOYSA-N -1 0 456.885 6.533 50 0 JKAARM Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000027990633 556311720 /nfs/dbraw/zinc/31/17/20/556311720.db2.gz WAXXEDHSUUQLES-UHFFFAOYSA-N -1 0 461.952 5.213 50 0 JKAARM Cc1ccc([C@H]2CC(c3cn(-c4ccccc4)nc3-c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000013126283 556341534 /nfs/dbraw/zinc/34/15/34/556341534.db2.gz XSIPWVVMLNLUNR-HHHXNRCGSA-N -1 0 492.579 5.780 50 0 JKAARM Cc1ccc([C@@H]2CC(c3cn(-c4ccccc4)nc3-c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000013126281 556341555 /nfs/dbraw/zinc/34/15/55/556341555.db2.gz XSIPWVVMLNLUNR-MHZLTWQESA-N -1 0 492.579 5.780 50 0 JKAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)c23)cc1 ZINC000013131480 556357445 /nfs/dbraw/zinc/35/74/45/556357445.db2.gz KDMNSQXSBMBYFS-UHFFFAOYSA-N -1 0 450.372 5.774 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2cccc3ccccc32)ccc1C ZINC000013133902 556360526 /nfs/dbraw/zinc/36/05/26/556360526.db2.gz KMVJVHIAQZTNEM-UHFFFAOYSA-N -1 0 460.555 5.139 50 0 JKAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1 ZINC000013133935 556360568 /nfs/dbraw/zinc/36/05/68/556360568.db2.gz SXTLPIWSSXSTMT-UHFFFAOYSA-N -1 0 491.594 5.062 50 0 JKAARM Cc1ccc(-c2c/c(=N\[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3cc(Cl)ccc3o2)cc1 ZINC000019793961 556373361 /nfs/dbraw/zinc/37/33/61/556373361.db2.gz SKDDSZRDYGMPIL-QICKNKRUSA-N -1 0 456.929 6.140 50 0 JKAARM COCCOCOc1cc2ccc(-c3ccc(C(=O)[O-])cc3)cc2cc1C12CC3CC(CC(C3)C1)C2 ZINC000031597129 556399997 /nfs/dbraw/zinc/39/99/97/556399997.db2.gz JBALRFFXKQPVLT-UHFFFAOYSA-N -1 0 486.608 6.672 50 0 in-vitro JKAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032096649 556415607 /nfs/dbraw/zinc/41/56/07/556415607.db2.gz KSUAPVOUMRUOHC-AREMUKBSSA-N -1 0 498.608 5.305 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948235 556563074 /nfs/dbraw/zinc/56/30/74/556563074.db2.gz RSPAPQJYXNXUDZ-UHFFFAOYSA-N -1 0 498.655 5.251 50 0 JKAARM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C(C)C)cc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948305 556563499 /nfs/dbraw/zinc/56/34/99/556563499.db2.gz RMDXRSVBPHWNTK-UHFFFAOYSA-N -1 0 498.655 5.368 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1C ZINC000032948426 556563644 /nfs/dbraw/zinc/56/36/44/556563644.db2.gz ZKYZWHWGEUYGKO-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948431 556563775 /nfs/dbraw/zinc/56/37/75/556563775.db2.gz STUAJKFNKBULLZ-UHFFFAOYSA-N -1 0 468.629 5.106 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4cc(C)ccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948635 556564324 /nfs/dbraw/zinc/56/43/24/556564324.db2.gz HDMRYVVLWUMEDB-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)N[C@@H](C)CCc4ccccc4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948638 556564410 /nfs/dbraw/zinc/56/44/10/556564410.db2.gz CQHYYMNXBVOLIR-INIZCTEOSA-N -1 0 496.683 5.043 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-] ZINC000248331845 560036540 /nfs/dbraw/zinc/03/65/40/560036540.db2.gz IAWGZKRQDHPFCZ-MTFVCPQDSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000085644332 560067319 /nfs/dbraw/zinc/06/73/19/560067319.db2.gz JXSVIVRDWWRQRT-WQCPETOYSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000008605030 562946550 /nfs/dbraw/zinc/94/65/50/562946550.db2.gz JVSSOUWMKFDWOW-UHFFFAOYSA-N -1 0 481.979 5.063 50 0 aggregator JKAARM COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccccc1C(=O)[O-])N(c1ccc(OC)cc1)C3=O ZINC000008613063 562947996 /nfs/dbraw/zinc/94/79/96/562947996.db2.gz FIPGESOJGYKQNR-QHCPKHFHSA-N -1 0 489.553 5.229 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000008673965 562950435 /nfs/dbraw/zinc/95/04/35/562950435.db2.gz HCYLZHBANDABEY-UHFFFAOYSA-N -1 0 452.466 5.970 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2C1 ZINC000008681776 562951270 /nfs/dbraw/zinc/95/12/70/562951270.db2.gz KLHSKTMVSOWVLD-RHUZJASMSA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008686192 562952734 /nfs/dbraw/zinc/95/27/34/562952734.db2.gz FAMKTXRFSGOAAK-JOCHJYFZSA-N -1 0 470.554 5.143 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCCCC1 ZINC000008686786 562952978 /nfs/dbraw/zinc/95/29/78/562952978.db2.gz IRNRZWVAXGRIEF-UHFFFAOYSA-N -1 0 480.590 5.130 50 0 JKAARM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(-c3ccccc3)cc2)n1)C(=O)[O-] ZINC000040861882 563150251 /nfs/dbraw/zinc/15/02/51/563150251.db2.gz MLNIGXYHGQLWLD-HXUWFJFHSA-N -1 0 456.011 7.056 50 0 in-vitro JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000059586597 563209102 /nfs/dbraw/zinc/20/91/02/563209102.db2.gz IAWGZKRQDHPFCZ-OBHGTAHRSA-N -1 0 498.748 7.804 50 0 biogenic,in-vitro JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008454439 569591493 /nfs/dbraw/zinc/59/14/93/569591493.db2.gz BZJCEZWLZHOVFN-NHCUHLMSSA-N -1 0 483.630 6.469 50 0 JKAARM C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000008565349 569591957 /nfs/dbraw/zinc/59/19/57/569591957.db2.gz DGCWECCULFOHPD-JKTGJUOXSA-N -1 0 470.550 5.754 50 0 JKAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000032962140 569602825 /nfs/dbraw/zinc/60/28/25/569602825.db2.gz OTULWXURIUPGLH-UHFFFAOYSA-N -1 0 453.004 5.266 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)cc1C ZINC000032962043 569602857 /nfs/dbraw/zinc/60/28/57/569602857.db2.gz SLMIILCLQCSVCX-UHFFFAOYSA-N -1 0 492.641 5.570 50 0 JKAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962088 569602877 /nfs/dbraw/zinc/60/28/77/569602877.db2.gz SILZIFWHOVMDFE-UHFFFAOYSA-N -1 0 458.624 5.860 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032962041 569602883 /nfs/dbraw/zinc/60/28/83/569602883.db2.gz XIPVFQBHZLMJAZ-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962078 569602924 /nfs/dbraw/zinc/60/29/24/569602924.db2.gz TURJTXCGPCRJIQ-UHFFFAOYSA-N -1 0 478.614 5.870 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000032962163 569603077 /nfs/dbraw/zinc/60/30/77/569603077.db2.gz UHPBLWITTPNUGV-UHFFFAOYSA-N -1 0 487.021 5.954 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5ccc(OC(F)(F)F)cc5s4)sc3c2s1 ZINC000062007434 569610290 /nfs/dbraw/zinc/61/02/90/569610290.db2.gz YWKIEDOQBLTZPU-UHFFFAOYSA-N -1 0 470.548 6.880 50 0 JKAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007384 569615415 /nfs/dbraw/zinc/61/54/15/569615415.db2.gz ZDYODDNHCJBEIF-UHFFFAOYSA-N -1 0 494.613 5.043 50 0 JKAARM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCC(Cc5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010240 569616597 /nfs/dbraw/zinc/61/65/97/569616597.db2.gz BMWINLWBKMGKOM-UHFFFAOYSA-N -1 0 493.607 5.882 50 0 JKAARM O=C([O-])c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 ZINC000033010236 569616614 /nfs/dbraw/zinc/61/66/14/569616614.db2.gz IAAQEFHRSQJVLG-UHFFFAOYSA-N -1 0 499.998 6.298 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(=O)[O-])c2c1 ZINC000033010366 569616704 /nfs/dbraw/zinc/61/67/04/569616704.db2.gz CETQBIRMWOFKQX-UHFFFAOYSA-N -1 0 466.969 5.042 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000033010443 569616802 /nfs/dbraw/zinc/61/68/02/569616802.db2.gz SQWWJOVKYRDDKQ-UHFFFAOYSA-N -1 0 478.980 5.042 50 0 JKAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCCC4)ccc3n2)CC1 ZINC000033010445 569616814 /nfs/dbraw/zinc/61/68/14/569616814.db2.gz NOBNXCCKZMCEPA-UHFFFAOYSA-N -1 0 493.007 5.350 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1Cl ZINC000064450484 569617050 /nfs/dbraw/zinc/61/70/50/569617050.db2.gz PHVCFNYMPPPVDY-UHFFFAOYSA-N -1 0 461.952 5.236 50 0 JKAARM Cc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557934 569618356 /nfs/dbraw/zinc/61/83/56/569618356.db2.gz HBUCUGNPJQGXNG-FQEVSTJZSA-N -1 0 484.371 5.089 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(C(C)C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064558235 569618523 /nfs/dbraw/zinc/61/85/23/569618523.db2.gz SLIBEXSUXLQZKS-QHCPKHFHSA-N -1 0 482.001 6.103 50 0 JKAARM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064558193 569618610 /nfs/dbraw/zinc/61/86/10/569618610.db2.gz USGQHUAYGNKLCD-JOCHJYFZSA-N -1 0 467.974 5.542 50 0 JKAARM 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GNBNYZCQLMXWPY-SANMLTNESA-N -1 0 492.019 5.544 50 0 JKAARM CC(C)(C)OC(=O)NCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000070051626 569695199 /nfs/dbraw/zinc/69/51/99/569695199.db2.gz MYQXEVZHWDILHG-MHZLTWQESA-N -1 0 482.577 5.063 50 0 JKAARM C[C@@H]1C[C@@H](C(=O)[O-])[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000070471844 569695374 /nfs/dbraw/zinc/69/53/74/569695374.db2.gz FZRIRHAXJWMMFP-KHOKKLMMSA-N -1 0 456.711 6.945 50 0 JKAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000035451186 569696705 /nfs/dbraw/zinc/69/67/05/569696705.db2.gz OMXRHUSAAGPCCN-UHFFFAOYSA-N -1 0 489.963 5.185 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000071766904 569697351 /nfs/dbraw/zinc/69/73/51/569697351.db2.gz WVHHZBXERBMTER-HVTUOCALSA-N -1 0 498.748 7.804 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000071924255 569699318 /nfs/dbraw/zinc/69/93/18/569699318.db2.gz YWGYJODIWNXVBM-HSZRJFAPSA-N -1 0 470.554 5.143 50 0 JKAARM C[C@@H](c1c[nH]c2cc(F)ccc21)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000072233140 569700946 /nfs/dbraw/zinc/70/09/46/569700946.db2.gz BNNWOIDPBACCMD-ODCWNRFASA-N -1 0 458.489 5.402 50 0 JKAARM COc1cc(/C=C(\Br)C(=O)Nc2ccccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000077024555 569704719 /nfs/dbraw/zinc/70/47/19/569704719.db2.gz OYRZYZCTEWSPQN-UYRXBGFRSA-N -1 0 482.330 5.347 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000035566926 569704917 /nfs/dbraw/zinc/70/49/17/569704917.db2.gz YKOPWPOFWMYZJZ-YJGSXPEOSA-N -1 0 472.710 6.204 50 0 JKAARM COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C(=O)[O-])cc3)N2)cc1 ZINC000080324797 569707707 /nfs/dbraw/zinc/70/77/07/569707707.db2.gz NALQCYGLPHQSLE-GMAHTHKFSA-N -1 0 465.347 5.378 50 0 JKAARM Cc1ccc(CN2C(=O)NC(=Cc3c(=O)n(-c4cccc(C)c4C)[n-]c3-c3ccccc3)C2=O)cc1 ZINC000035829459 569712837 /nfs/dbraw/zinc/71/28/37/569712837.db2.gz ZBACZNOPZFLPIN-JLPGSUDCSA-N -1 0 478.552 5.263 50 0 JKAARM O=C1NC(=Cc2c(=O)n(-c3ccc(Cl)cc3)[n-]c2-c2ccccc2)C(=O)N1Cc1cccc(F)c1 ZINC000035829495 569712989 /nfs/dbraw/zinc/71/29/89/569712989.db2.gz GGCIWBSHEGRZTO-HMAPJEAMSA-N -1 0 488.906 5.130 50 0 JKAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3Cl)[n-]c2-c2ccccc2)C(=O)N1Cc1cccc(F)c1 ZINC000035829497 569713029 /nfs/dbraw/zinc/71/30/29/569713029.db2.gz AGBYWKAEHCZVDN-STZFKDTASA-N -1 0 488.906 5.130 50 0 JKAARM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091351887 569721311 /nfs/dbraw/zinc/72/13/11/569721311.db2.gz UAHPXJGYPMHWRP-QFIPXVFZSA-N -1 0 456.325 5.528 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000095532147 569725499 /nfs/dbraw/zinc/72/54/99/569725499.db2.gz WVSSRUDJYABJLP-QHCPKHFHSA-N -1 0 499.954 5.391 50 0 JKAARM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1C ZINC000035912503 569727509 /nfs/dbraw/zinc/72/75/09/569727509.db2.gz ASKSUUGWCBZZGK-SANMLTNESA-N -1 0 489.622 5.431 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095642256 569728332 /nfs/dbraw/zinc/72/83/32/569728332.db2.gz QPJWCBIGYAOSPW-QFIPXVFZSA-N -1 0 471.431 5.120 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095945347 569730868 /nfs/dbraw/zinc/73/08/68/569730868.db2.gz WOXWRNRJUHWLGB-HHHXNRCGSA-N -1 0 492.579 5.699 50 0 JKAARM CC[C@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945332 569732670 /nfs/dbraw/zinc/73/26/70/569732670.db2.gz YAKZISFEDWCLJW-IBGZPJMESA-N -1 0 489.682 5.125 50 0 JKAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1OC(C)C ZINC000096113877 569733087 /nfs/dbraw/zinc/73/30/87/569733087.db2.gz RGDPUDAXAQLXGJ-GOSISDBHSA-N -1 0 488.492 5.108 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114377 569733389 /nfs/dbraw/zinc/73/33/89/569733389.db2.gz WGHBXSYBQRMGOI-OAQYLSRUSA-N -1 0 496.515 5.728 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115001 569734121 /nfs/dbraw/zinc/73/41/21/569734121.db2.gz WNDFPQUKRIACSV-IBGZPJMESA-N -1 0 482.488 5.826 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(Br)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115396 569734492 /nfs/dbraw/zinc/73/44/92/569734492.db2.gz KRACXGHKYZFEMC-LJQANCHMSA-N -1 0 495.325 5.329 50 0 biogenic JKAARM O=C1C[C@@H](c2ccc(Br)cc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115825 569734836 /nfs/dbraw/zinc/73/48/36/569734836.db2.gz ZALSFTWVNAWHCI-INIZCTEOSA-N -1 0 479.282 5.075 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccccc1OC(C)C)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115841 569734900 /nfs/dbraw/zinc/73/49/00/569734900.db2.gz UVZCHSQSRRTUPA-OAQYLSRUSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccco1 ZINC000096289632 569740079 /nfs/dbraw/zinc/74/00/79/569740079.db2.gz YZOAOZYRUFPNEZ-CYBMUJFWSA-N -1 0 454.939 5.077 50 0 JKAARM Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000096828963 569743278 /nfs/dbraw/zinc/74/32/78/569743278.db2.gz DTUUGTHFPJLAHI-QFIPXVFZSA-N -1 0 467.352 5.589 50 0 JKAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1 ZINC000097898288 569745844 /nfs/dbraw/zinc/74/58/44/569745844.db2.gz ASLKKNARVUDGMJ-WMMMYUQOSA-N -1 0 482.414 5.643 50 0 JKAARM COc1cccc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000097993115 569748651 /nfs/dbraw/zinc/74/86/51/569748651.db2.gz LFHIVUSXFNLXCM-QNGOZBTKSA-N -1 0 466.537 5.507 50 0 JKAARM CCOc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OCC(=O)N(C)C ZINC000097992968 569748701 /nfs/dbraw/zinc/74/87/01/569748701.db2.gz SWSMOVXBYKSOLN-ATVHPVEESA-N -1 0 494.975 5.329 50 0 JKAARM CCCCn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c([O-])c2ccccc21 ZINC000100478515 569761960 /nfs/dbraw/zinc/76/19/60/569761960.db2.gz SZLNHQGJWKELDB-UHFFFAOYSA-N -1 0 472.364 5.132 50 0 JKAARM COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000036329844 569763427 /nfs/dbraw/zinc/76/34/27/569763427.db2.gz GTBKEGPOHUAORK-UHFFFAOYSA-N -1 0 469.321 5.194 50 0 JKAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1=O ZINC000100551182 569764349 /nfs/dbraw/zinc/76/43/49/569764349.db2.gz MDLUYYGRCGDKGL-UHFFFAOYSA-N -1 0 450.535 5.107 50 0 in-vitro JKAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1=O ZINC000100672906 569766442 /nfs/dbraw/zinc/76/64/42/569766442.db2.gz RQMAHEHNPQIISH-UHFFFAOYSA-N -1 0 450.535 5.107 50 0 JKAARM Cc1cccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c1C ZINC000100721377 569767679 /nfs/dbraw/zinc/76/76/79/569767679.db2.gz PISVECFSJKJLAU-NAKRPHOHSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 ZINC000100721654 569767750 /nfs/dbraw/zinc/76/77/50/569767750.db2.gz JCMZHKDSHQCMEQ-RPLLCQBOSA-N -1 0 497.934 5.720 50 0 JKAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)c2cccc(Cl)c21 ZINC000036360072 569772512 /nfs/dbraw/zinc/77/25/12/569772512.db2.gz IBEDHAALDNAGIB-JOCHJYFZSA-N -1 0 473.337 5.025 50 0 JKAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)c2cccc(Cl)c21 ZINC000036360071 569772571 /nfs/dbraw/zinc/77/25/71/569772571.db2.gz IBEDHAALDNAGIB-QFIPXVFZSA-N -1 0 473.337 5.025 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)nc2ccc(Cl)cc21 ZINC000036636095 569779449 /nfs/dbraw/zinc/77/94/49/569779449.db2.gz PLSGHOZMBYJMSB-UHFFFAOYSA-N -1 0 485.767 7.551 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(F)cc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000101016729 569779451 /nfs/dbraw/zinc/77/94/51/569779451.db2.gz KOBJVIGHIKOPQD-QFIPXVFZSA-N -1 0 495.967 5.236 50 0 JKAARM Cc1ccc(N(C(=O)c2ccccc2Br)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000101134715 569784146 /nfs/dbraw/zinc/78/41/46/569784146.db2.gz RCKLVCPXAMYIHO-QFIPXVFZSA-N -1 0 477.358 5.045 50 0 JKAARM CC[C@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4cc(Cl)ccc4C)n3c(=O)c21 ZINC000101141643 569784335 /nfs/dbraw/zinc/78/43/35/569784335.db2.gz QYKNYOMMOUXBNK-RUZDIDTESA-N -1 0 494.020 5.001 50 0 JKAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccc(Cl)cc2)C1 ZINC000101494937 569799941 /nfs/dbraw/zinc/79/99/41/569799941.db2.gz LAWPGXBEVVHHFQ-QFIPXVFZSA-N -1 0 489.984 5.302 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101495172 569800042 /nfs/dbraw/zinc/80/00/42/569800042.db2.gz LQCXGCKLMUIWFI-FQEVSTJZSA-N -1 0 467.616 5.778 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000101494892 569800125 /nfs/dbraw/zinc/80/01/25/569800125.db2.gz SYHDNBWWCWWEDQ-IBGZPJMESA-N -1 0 453.589 5.475 50 0 JKAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S ZINC000101494888 569800130 /nfs/dbraw/zinc/80/01/30/569800130.db2.gz SWHFUDVWUMDZEB-INIZCTEOSA-N -1 0 474.405 5.269 50 0 JKAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=Nc3ccccc3S2)s1 ZINC000101495224 569800514 /nfs/dbraw/zinc/80/05/14/569800514.db2.gz MXOCOOQGPKHKGM-FQEVSTJZSA-N -1 0 496.013 5.613 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c([O-])[nH]c1=S ZINC000101495605 569800584 /nfs/dbraw/zinc/80/05/84/569800584.db2.gz DKNROGUCGISUGP-QHCPKHFHSA-N -1 0 487.650 6.923 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101495599 569800683 /nfs/dbraw/zinc/80/06/83/569800683.db2.gz YGLXUJGHDGYASX-OAQYLSRUSA-N -1 0 475.957 5.243 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101495666 569800698 /nfs/dbraw/zinc/80/06/98/569800698.db2.gz QZFLKVJJMVSHTF-HXUWFJFHSA-N -1 0 467.616 5.778 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000101495530 569800724 /nfs/dbraw/zinc/80/07/24/569800724.db2.gz OGXAMUPSHFMROQ-HXUWFJFHSA-N -1 0 483.615 5.484 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1c(C)cccc1C ZINC000101501350 569800885 /nfs/dbraw/zinc/80/08/85/569800885.db2.gz UZVGWDHYPWQCTE-UHFFFAOYSA-N -1 0 450.539 5.337 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1F ZINC000101501697 569801038 /nfs/dbraw/zinc/80/10/38/569801038.db2.gz CTFDSWTUWDQWMB-UHFFFAOYSA-N -1 0 456.930 5.374 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c1=O ZINC000101501749 569801054 /nfs/dbraw/zinc/80/10/54/569801054.db2.gz FLIHEDCQJLZXHQ-UHFFFAOYSA-N -1 0 486.956 5.382 50 0 JKAARM COc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)cc1 ZINC000101505441 569801116 /nfs/dbraw/zinc/80/11/16/569801116.db2.gz DGODIJYTVHTKOQ-UHFFFAOYSA-N -1 0 468.966 5.156 50 0 JKAARM CCOc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)cc1 ZINC000101505269 569801124 /nfs/dbraw/zinc/80/11/24/569801124.db2.gz CVUODOPJFJLGNZ-UHFFFAOYSA-N -1 0 468.966 5.243 50 0 JKAARM CCCc1c(OCCCCOc2ccc(Sc3ccc(C(=O)[O-])cc3)cc2)ccc(C(C)=O)c1O ZINC000038323904 569801335 /nfs/dbraw/zinc/80/13/35/569801335.db2.gz CSUXZOYQKIKPDR-UHFFFAOYSA-N -1 0 494.609 6.635 50 0 JKAARM CCOP(=O)(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])OCC ZINC000038528663 569802380 /nfs/dbraw/zinc/80/23/80/569802380.db2.gz ZIJGXRSOXBXZOL-QHCPKHFHSA-N -1 0 489.505 5.415 50 0 JKAARM CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766629 569804805 /nfs/dbraw/zinc/80/48/05/569804805.db2.gz ULVMHXOPLCCPPB-HSZRJFAPSA-N -1 0 491.613 5.504 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)cc3OC)C2)c([O-])[nH]c1=S ZINC000101767110 569804893 /nfs/dbraw/zinc/80/48/93/569804893.db2.gz UFXRFMQESSACOU-OAQYLSRUSA-N -1 0 497.642 5.787 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(OC)cc3OC)C2)c([O-])[nH]c1=S ZINC000101767105 569804968 /nfs/dbraw/zinc/80/49/68/569804968.db2.gz UFXRFMQESSACOU-NRFANRHFSA-N -1 0 497.642 5.787 50 0 JKAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c2=O)c1 ZINC000101766794 569805084 /nfs/dbraw/zinc/80/50/84/569805084.db2.gz SUALRPWAXMYCHE-HSZRJFAPSA-N -1 0 469.566 5.206 50 0 JKAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1Cl ZINC000101827949 569805302 /nfs/dbraw/zinc/80/53/02/569805302.db2.gz MSSJCWZCAPYMPH-UHFFFAOYSA-N -1 0 472.932 5.350 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000101831366 569805577 /nfs/dbraw/zinc/80/55/77/569805577.db2.gz UYAVSCOGNANRHT-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM CCc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c1=O ZINC000101833096 569805681 /nfs/dbraw/zinc/80/56/81/569805681.db2.gz JUJRGRRJYXHYKS-UHFFFAOYSA-N -1 0 450.539 5.283 50 0 JKAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc2ccccc2c1 ZINC000101835211 569805802 /nfs/dbraw/zinc/80/58/02/569805802.db2.gz HAIGQJDNAKTFFI-VWLOTQADSA-N -1 0 479.565 5.288 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2c(F)cccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101837258 569806128 /nfs/dbraw/zinc/80/61/28/569806128.db2.gz PUELRIRWKNMLSO-OAQYLSRUSA-N -1 0 495.967 5.236 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101837054 569806134 /nfs/dbraw/zinc/80/61/34/569806134.db2.gz CXXBISZKGZXTCQ-JOCHJYFZSA-N -1 0 477.977 5.097 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000039145709 569809293 /nfs/dbraw/zinc/80/92/93/569809293.db2.gz BQTSAOSBQOAEAK-QFIPXVFZSA-N -1 0 471.431 5.640 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000039946896 569812487 /nfs/dbraw/zinc/81/24/87/569812487.db2.gz WLNARFZDISHUGS-XSUQFUIASA-N -1 0 486.737 7.804 50 0 biogenic JKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc2ccccc2c1 ZINC000039959773 569812598 /nfs/dbraw/zinc/81/25/98/569812598.db2.gz ARNXVBNFGHHUOX-QFIPXVFZSA-N -1 0 451.522 5.622 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000102649095 569815003 /nfs/dbraw/zinc/81/50/03/569815003.db2.gz OXJLQCNZXKSALJ-VKGTZQKMSA-N -1 0 485.515 5.636 50 0 JKAARM CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000102647903 569815012 /nfs/dbraw/zinc/81/50/12/569815012.db2.gz HBRNVJPGPIDHOC-BHIYHBOVSA-N -1 0 455.576 5.462 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000102649099 569815044 /nfs/dbraw/zinc/81/50/44/569815044.db2.gz OXJLQCNZXKSALJ-GDJIYFAZSA-N -1 0 485.515 5.636 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000102649101 569815052 /nfs/dbraw/zinc/81/50/52/569815052.db2.gz OXJLQCNZXKSALJ-HMILPKGGSA-N -1 0 485.515 5.636 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102697881 569816065 /nfs/dbraw/zinc/81/60/65/569816065.db2.gz DFOOCTZQRWWJOD-CCDWMCETSA-N -1 0 454.913 5.544 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102707259 569816509 /nfs/dbraw/zinc/81/65/09/569816509.db2.gz MHLNKFGUIRISRN-CCDWMCETSA-N -1 0 472.903 5.683 50 0 JKAARM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102728033 569817988 /nfs/dbraw/zinc/81/79/88/569817988.db2.gz UQKHXXIFTXJVDW-YPAWHYETSA-N -1 0 453.325 5.353 50 0 JKAARM COc1ccc([C@H](CC(=O)c2ccccc2)c2c(C)[n-]n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000102890171 569826590 /nfs/dbraw/zinc/82/65/90/569826590.db2.gz HRPNSIGCKYCBPV-OZXSUGGESA-N -1 0 495.406 6.393 50 0 JKAARM C[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)C1 ZINC000102894289 569826612 /nfs/dbraw/zinc/82/66/12/569826612.db2.gz NUSKISHQODGNHM-CXAGYDPISA-N -1 0 473.396 5.340 50 0 JKAARM Cc1cc([C@@H](C)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c(C)c3)c2)ccc1Cl ZINC000103273369 569834157 /nfs/dbraw/zinc/83/41/57/569834157.db2.gz KYHUARFFBDLROH-MOPGFXCFSA-N -1 0 464.993 6.308 50 0 in-vitro JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccs1 ZINC000104082686 569840567 /nfs/dbraw/zinc/84/05/67/569840567.db2.gz JOISOZCMNGDPJM-CBZJRKILSA-N -1 0 490.556 6.302 50 0 JKAARM C[C@H]1CCc2cc(F)cc3c(O)c(CCc4c([O-])c5cc(F)cc6c5n(c4=O)[C@@H](C)CC6)c(O)c1c23 ZINC000106947446 569855965 /nfs/dbraw/zinc/85/59/65/569855965.db2.gz RPGQPWPKHXVZDL-KBPBESRZSA-N -1 0 491.534 5.892 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(CCc4c(O)c5cc(F)cc6c5c(c4O)[C@@H](C)CC6)c(=O)n1c23 ZINC000106947441 569855980 /nfs/dbraw/zinc/85/59/80/569855980.db2.gz RPGQPWPKHXVZDL-UONOGXRCSA-N -1 0 491.534 5.892 50 0 JKAARM CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000108521389 569859513 /nfs/dbraw/zinc/85/95/13/569859513.db2.gz FYVWOXLHBWEHRJ-PCEYSVKOSA-N -1 0 494.566 5.414 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000136632387 569864767 /nfs/dbraw/zinc/86/47/67/569864767.db2.gz XIFURGHXVMAHFD-PWRODBHTSA-N -1 0 473.743 5.698 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000136640921 569864803 /nfs/dbraw/zinc/86/48/03/569864803.db2.gz QWXNRGCHBHSMDQ-PWRODBHTSA-N -1 0 473.743 5.698 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137773281 569865190 /nfs/dbraw/zinc/86/51/90/569865190.db2.gz FWTOXAOGUDVTRJ-JCYYIGJDSA-N -1 0 476.576 6.188 50 0 JKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 ZINC000140799188 569867438 /nfs/dbraw/zinc/86/74/38/569867438.db2.gz KIFIKVVGKMSJRH-OAQYLSRUSA-N -1 0 466.331 5.156 50 0 JKAARM O=C([O-])c1cccc(-c2ccc(-c3cn(C(=O)N4CCCC[C@@H]4Cc4ccccc4)nn3)cc2)c1 ZINC000169340076 569868232 /nfs/dbraw/zinc/86/82/32/569868232.db2.gz SSSCOJOXPDDHOO-RUZDIDTESA-N -1 0 466.541 5.376 50 0 in-vitro JKAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C1)c2-c1ccccc1 ZINC000170618939 569873080 /nfs/dbraw/zinc/87/30/80/569873080.db2.gz ZOJZADIEBROVFJ-OAQYLSRUSA-N -1 0 485.565 5.108 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000226874401 570039065 /nfs/dbraw/zinc/03/90/65/570039065.db2.gz XDBFNGCWAOAKFD-DFBJGRDBSA-N -1 0 494.931 5.306 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000229954725 570042631 /nfs/dbraw/zinc/04/26/31/570042631.db2.gz MHLNKFGUIRISRN-ISJGIBHGSA-N -1 0 472.903 5.683 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230000902 570043335 /nfs/dbraw/zinc/04/33/35/570043335.db2.gz XHYRUJWPXZAJNZ-PWRODBHTSA-N -1 0 457.288 5.184 50 0 JKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000230148933 570045803 /nfs/dbraw/zinc/04/58/03/570045803.db2.gz SIPNOLJPGURAMJ-YRUZYCQGSA-N -1 0 493.151 5.465 50 0 JKAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000238937212 570048119 /nfs/dbraw/zinc/04/81/19/570048119.db2.gz UGEYFXNCYJMMDU-NJDAHSKKSA-N -1 0 485.621 5.307 50 0 JKAARM O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1 ZINC000239432938 570052072 /nfs/dbraw/zinc/05/20/72/570052072.db2.gz WYEYBWIORLZCAK-ALTZYDRJSA-N -1 0 464.496 5.199 50 0 JKAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000239807459 570052712 /nfs/dbraw/zinc/05/27/12/570052712.db2.gz CSCRORLZNMBXCM-MCQPEXAWSA-N -1 0 472.589 5.547 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)[O-])CC[C@H]1C ZINC000245229870 570056183 /nfs/dbraw/zinc/05/61/83/570056183.db2.gz HSZFOQSMGNAIJM-LCOWFGJOSA-N -1 0 465.634 6.213 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)[O-])CC[C@H]1C ZINC000245229871 570056206 /nfs/dbraw/zinc/05/62/06/570056206.db2.gz HSZFOQSMGNAIJM-QJHXMQSMSA-N -1 0 465.634 6.213 50 0 JKAARM COc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@H](C)C(=O)[O-])c1 ZINC000245257224 570060637 /nfs/dbraw/zinc/06/06/37/570060637.db2.gz XGAICFLKIPNUFE-HRUHZFIUSA-N -1 0 480.601 6.236 50 0 JKAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c(C)c1 ZINC000245312809 570063862 /nfs/dbraw/zinc/06/38/62/570063862.db2.gz XIPBWSMXBRJSGS-DNVJHFABSA-N -1 0 467.352 5.661 50 0 JKAARM COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 ZINC000245312847 570063926 /nfs/dbraw/zinc/06/39/26/570063926.db2.gz XXABJDWWKJLUQA-YPAWHYETSA-N -1 0 469.324 5.053 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@H]([C@H](C)C(=O)[O-])CC[C@@H]1C ZINC000245325726 570064439 /nfs/dbraw/zinc/06/44/39/570064439.db2.gz HSZFOQSMGNAIJM-MOUGBRLMSA-N -1 0 465.634 6.213 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)[O-])CC[C@H]1C ZINC000245325921 570064452 /nfs/dbraw/zinc/06/44/52/570064452.db2.gz HSZFOQSMGNAIJM-QHBPOGSUSA-N -1 0 465.634 6.213 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000247386961 570068008 /nfs/dbraw/zinc/06/80/08/570068008.db2.gz KKFVLVJTNDFPHI-KEZOAJOQSA-N -1 0 480.690 5.128 50 0 JKAARM Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](C(=O)[O-])[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000252394438 570080189 /nfs/dbraw/zinc/08/01/89/570080189.db2.gz LOKOVVPWJUFVII-GRZFEECSSA-N -1 0 497.016 5.722 50 0 JKAARM CCc1cccc(C)c1N=C1N=C(SCC(=O)[O-])N(c2ccc(Cl)cc2)C12CCCC2 ZINC000252636773 570089987 /nfs/dbraw/zinc/08/99/87/570089987.db2.gz XMSLCZHHMIJSQJ-UHFFFAOYSA-N -1 0 456.011 6.248 50 0 JKAARM COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253395917 570095955 /nfs/dbraw/zinc/09/59/55/570095955.db2.gz AQVDHBQQXOBHCI-VWLOTQADSA-N -1 0 494.543 5.694 50 0 biogenic JKAARM O=C1C[C@H](c2ccnc3ccccc32)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253398269 570096268 /nfs/dbraw/zinc/09/62/68/570096268.db2.gz CAURDBJBZNIANF-GOSISDBHSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(F)cc6)coc5c43)o2)cc1 ZINC000253398511 570096284 /nfs/dbraw/zinc/09/62/84/570096284.db2.gz CEMJQVUURWOOAL-HXUWFJFHSA-N -1 0 496.446 5.998 50 0 biogenic JKAARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000253399140 570096285 /nfs/dbraw/zinc/09/62/85/570096285.db2.gz CPOPMUCYWHLVKW-NRFANRHFSA-N -1 0 492.483 6.168 50 0 biogenic JKAARM O=C1C[C@@H](C2=Cc3ccccc3OC2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253403048 570096884 /nfs/dbraw/zinc/09/68/84/570096884.db2.gz GWSKIJJDNWRUHG-SFHVURJKSA-N -1 0 472.880 5.688 50 0 biogenic JKAARM O=C(C[C@@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCCCC1 ZINC000253408039 570097382 /nfs/dbraw/zinc/09/73/82/570097382.db2.gz KIPWJOWEAOVMGL-NRFANRHFSA-N -1 0 485.536 5.111 50 0 biogenic JKAARM O=C(C[C@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCCCC1 ZINC000253408046 570097394 /nfs/dbraw/zinc/09/73/94/570097394.db2.gz KIPWJOWEAOVMGL-OAQYLSRUSA-N -1 0 485.536 5.111 50 0 biogenic JKAARM O=C1C[C@@H](c2cccc3cccnc32)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253409976 570097563 /nfs/dbraw/zinc/09/75/63/570097563.db2.gz MSECJNBQFJOWEM-SFHVURJKSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccccc6)coc5c43)o2)cc1 ZINC000253413601 570098304 /nfs/dbraw/zinc/09/83/04/570098304.db2.gz VETSKKFGNQCKPB-HXUWFJFHSA-N -1 0 478.456 5.859 50 0 biogenic JKAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1cccc(OCc3cccnc3)c1)CC(=O)O2 ZINC000253414992 570098669 /nfs/dbraw/zinc/09/86/69/570098669.db2.gz ZHTOQRXLWDOSRW-QHCPKHFHSA-N -1 0 451.478 5.038 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000257347075 570152064 /nfs/dbraw/zinc/15/20/64/570152064.db2.gz RIXNFYQZWDGQAE-APLHJKOUSA-N -1 0 498.748 7.804 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000257347077 570152086 /nfs/dbraw/zinc/15/20/86/570152086.db2.gz RIXNFYQZWDGQAE-YEEOLXSKSA-N -1 0 498.748 7.804 50 0 JKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OCC(=O)[O-] ZINC000257348495 570152449 /nfs/dbraw/zinc/15/24/49/570152449.db2.gz GFIJGEUKERLGTC-IQRSDXJVSA-N -1 0 460.699 6.468 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000257358863 570153795 /nfs/dbraw/zinc/15/37/95/570153795.db2.gz WVHHZBXERBMTER-OBGNVDJESA-N -1 0 498.748 7.804 50 0 JKAARM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000257622340 570154055 /nfs/dbraw/zinc/15/40/55/570154055.db2.gz XLPAINGDLCDYQV-HMJHDSOISA-N -1 0 454.695 7.752 50 0 endogenous,in-man JKAARM O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)o2)c1 ZINC000263585608 570171242 /nfs/dbraw/zinc/17/12/42/570171242.db2.gz KPZVIKCKSPBVFH-IBGZPJMESA-N -1 0 496.950 6.775 50 0 biogenic JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc(F)c(F)c(F)c3)CC(=O)O4)c2=O)cc1OC ZINC000263586081 570171485 /nfs/dbraw/zinc/17/14/85/570171485.db2.gz PUDLKULYDWBQPF-ZDUSSCGKSA-N -1 0 498.409 5.041 50 0 biogenic JKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000263615968 570172898 /nfs/dbraw/zinc/17/28/98/570172898.db2.gz GIFRVWNDJYHAFU-UHFFFAOYSA-N -1 0 485.505 5.600 50 0 JKAARM O=C([O-])[C@H](CSCc1cccc2cccnc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000301364322 570178052 /nfs/dbraw/zinc/17/80/52/570178052.db2.gz RIRJEFBSBILBIF-VWLOTQADSA-N -1 0 484.577 5.460 50 0 JKAARM C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000393645857 570185486 /nfs/dbraw/zinc/18/54/86/570185486.db2.gz MMDFUSJWEBNNTG-HNNXBMFYSA-N -1 0 470.352 6.218 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c(O)c(Cc4c([O-])c5cc(F)cc6c5n(c4=O)[C@@H](C)CC6)c(O)c1c23 ZINC000390834972 570185561 /nfs/dbraw/zinc/18/55/61/570185561.db2.gz YLGBEUPDIBQUFV-OLZOCXBDSA-N -1 0 477.507 5.697 50 0 JKAARM CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000015657693 291568821 /nfs/dbraw/zinc/56/88/21/291568821.db2.gz BZXULBWGROURAF-IKNLXHIFSA-N -1 0 456.711 7.234 50 0 biogenic,in-vitro JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000101743602 291598315 /nfs/dbraw/zinc/59/83/15/291598315.db2.gz JXSVIVRDWWRQRT-GWDMTMLYSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001032675 194006291 /nfs/dbraw/zinc/00/62/91/194006291.db2.gz FTXDEPFJUKFUNX-UHFFFAOYSA-N -1 0 457.433 5.570 50 0 JKAARM COc1ccc(-n2c(CSc3nc(-c4cccs4)cn3-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000001036504 194007185 /nfs/dbraw/zinc/00/71/85/194007185.db2.gz KKNIJFIWSMUCNB-UHFFFAOYSA-N -1 0 491.667 6.453 50 0 JKAARM CCOC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001037246 194007375 /nfs/dbraw/zinc/00/73/75/194007375.db2.gz OUWGEIUSRLNBNE-UHFFFAOYSA-N -1 0 491.824 5.615 50 0 JKAARM CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000001047142 194008972 /nfs/dbraw/zinc/00/89/72/194008972.db2.gz ZCHBCYZNJWHBOJ-UHFFFAOYSA-N -1 0 454.331 5.539 50 0 JKAARM CCc1cnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)nc1-c1c(F)cccc1F ZINC000001023973 194004677 /nfs/dbraw/zinc/00/46/77/194004677.db2.gz JRYPCSPXJJCGDW-UHFFFAOYSA-N -1 0 450.319 5.153 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000001064404 194013286 /nfs/dbraw/zinc/01/32/86/194013286.db2.gz LQZCXUWBFATOGV-UHFFFAOYSA-N -1 0 479.385 5.672 50 0 JKAARM Cc1ccc(NC2=C(CC(=O)[O-])[C@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001065957 194014182 /nfs/dbraw/zinc/01/41/82/194014182.db2.gz BVKYQTFDZDBASS-VWLOTQADSA-N -1 0 491.385 5.995 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)cc1 ZINC000001076206 194018319 /nfs/dbraw/zinc/01/83/19/194018319.db2.gz WXXIRJXMYRWGAX-UHFFFAOYSA-N -1 0 483.033 5.544 50 0 JKAARM O=C(Nc1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000001108491 194026382 /nfs/dbraw/zinc/02/63/82/194026382.db2.gz ZXORIVUJWSRWHL-UHFFFAOYSA-N -1 0 482.359 5.050 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001195948 194067224 /nfs/dbraw/zinc/06/72/24/194067224.db2.gz CHWAEIRDYAHWGN-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)n1 ZINC000001182632 194063567 /nfs/dbraw/zinc/06/35/67/194063567.db2.gz PYXZWXAGILNURT-QHCPKHFHSA-N -1 0 490.610 5.058 50 0 JKAARM COc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001192521 194066181 /nfs/dbraw/zinc/06/61/81/194066181.db2.gz HGMBABUVLGLWGY-UHFFFAOYSA-N -1 0 472.994 5.699 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001234947 194077792 /nfs/dbraw/zinc/07/77/92/194077792.db2.gz SNUJNWNUJQTMPJ-UHFFFAOYSA-N -1 0 450.494 5.408 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000001388569 194113909 /nfs/dbraw/zinc/11/39/09/194113909.db2.gz YMRIPCDUZZQSLB-UHFFFAOYSA-N -1 0 473.520 5.829 50 0 JKAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000001391892 194114307 /nfs/dbraw/zinc/11/43/07/194114307.db2.gz RZWPFODMLXWZDZ-UHFFFAOYSA-N -1 0 455.967 5.164 50 0 JKAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000001391893 194114320 /nfs/dbraw/zinc/11/43/20/194114320.db2.gz FLHZNVUOXXSZRK-UHFFFAOYSA-N -1 0 489.519 5.530 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001408986 194116273 /nfs/dbraw/zinc/11/62/73/194116273.db2.gz YKLYNOHWRPFQOH-SLQAJWMNSA-N -1 0 484.527 6.241 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000001509894 194126849 /nfs/dbraw/zinc/12/68/49/194126849.db2.gz FPMXCPRYVUJGNV-UHFFFAOYSA-N -1 0 470.550 5.279 50 0 JKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001515431 194127053 /nfs/dbraw/zinc/12/70/53/194127053.db2.gz FVNWOBKNKODXQT-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)[N-]c2ccc(Br)cc2)c1 ZINC000001444709 194122245 /nfs/dbraw/zinc/12/22/45/194122245.db2.gz WNQHFUWWNIMXOO-UHFFFAOYSA-N -1 0 461.768 6.131 50 0 JKAARM O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001748088 194133779 /nfs/dbraw/zinc/13/37/79/194133779.db2.gz GDSLHMXLIOPWMT-UHFFFAOYSA-N -1 0 486.402 5.048 50 0 JKAARM CCOc1c(F)c(F)c(COc2ccc3oc(-c4ccccc4)c(C(=O)[O-])c3c2)c(F)c1F ZINC000001797709 194142115 /nfs/dbraw/zinc/14/21/15/194142115.db2.gz HXCXPONHDAOQCM-UHFFFAOYSA-N -1 0 460.379 6.332 50 0 JKAARM CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000002277650 194159096 /nfs/dbraw/zinc/15/90/96/194159096.db2.gz FRVLYMWGVLAWLJ-UHFFFAOYSA-N -1 0 471.534 6.209 50 0 JKAARM CCC(C)(C)c1ccc(OCCCC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c(C(C)(C)CC)c1 ZINC000003001623 194199415 /nfs/dbraw/zinc/19/94/15/194199415.db2.gz RFMUZTLAUKKPJK-UHFFFAOYSA-N -1 0 494.503 8.180 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)[O-])n(-c4ccccc4C)c(=O)c3sc2=S)cc1C ZINC000003026492 194211486 /nfs/dbraw/zinc/21/14/86/194211486.db2.gz ZBQHAJMTQONVHK-UHFFFAOYSA-N -1 0 469.613 5.069 50 0 JKAARM O=C([O-])c1ccc(CN(Cc2ccc(Br)cc2)C(=S)Nc2ccccc2Cl)cc1 ZINC000003035629 194214134 /nfs/dbraw/zinc/21/41/34/194214134.db2.gz IKDCALXLEFCDIX-UHFFFAOYSA-N -1 0 489.822 6.200 50 0 JKAARM CCc1ccccc1NC(=S)N(Cc1cccc(Br)c1)CC1CCC(C(=O)[O-])CC1 ZINC000003036502 194214235 /nfs/dbraw/zinc/21/42/35/194214235.db2.gz NKNIWQGDECNPDI-UHFFFAOYSA-N -1 0 489.479 6.102 50 0 JKAARM CCOC(=O)c1ccc(CN(C(=S)Nc2ccc(Cl)c(C)c2)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000003036387 194214271 /nfs/dbraw/zinc/21/42/71/194214271.db2.gz BLFLQKMQMQGFQK-OAQYLSRUSA-N -1 0 477.026 5.523 50 0 JKAARM Cc1cccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036517 194214275 /nfs/dbraw/zinc/21/42/75/194214275.db2.gz KQZLJMSSCBFKEM-UHFFFAOYSA-N -1 0 475.452 5.848 50 0 JKAARM Cc1cccc(C)c1NC(=S)N(Cc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003037331 194214284 /nfs/dbraw/zinc/21/42/84/194214284.db2.gz LBKPYITXOOOOII-UHFFFAOYSA-N -1 0 483.431 6.163 50 0 JKAARM COc1ccc(Cl)cc1NC(=S)N(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003037342 194214306 /nfs/dbraw/zinc/21/43/06/194214306.db2.gz IDPMDHBVEMMGJY-UHFFFAOYSA-N -1 0 475.397 6.099 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2ccccc2C)cc1OC ZINC000003036470 194214345 /nfs/dbraw/zinc/21/43/45/194214345.db2.gz ZUJHIDPCIFDRDB-UHFFFAOYSA-N -1 0 450.560 5.110 50 0 JKAARM CSc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000003037375 194214573 /nfs/dbraw/zinc/21/45/73/194214573.db2.gz JLROZTKGLLPFGT-UHFFFAOYSA-N -1 0 457.020 6.159 50 0 JKAARM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000003082419 194224567 /nfs/dbraw/zinc/22/45/67/194224567.db2.gz IOBSGTKZHKOKQG-UHFFFAOYSA-N -1 0 453.119 6.506 50 0 JKAARM Cc1ccc(NC(=S)NC2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000003277858 194260787 /nfs/dbraw/zinc/26/07/87/194260787.db2.gz QKOFOVLKJULSJR-UHFFFAOYSA-N -1 0 482.469 5.177 50 0 JKAARM O=C(Nc1ccccc1-c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003287769 194265493 /nfs/dbraw/zinc/26/54/93/194265493.db2.gz HQAKCBJGQKEQHJ-UHFFFAOYSA-N -1 0 486.549 5.178 50 0 JKAARM Cc1cc2nc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c(Nc3ccc(O)cc3)nc2cc1C ZINC000003309711 194276219 /nfs/dbraw/zinc/27/62/19/194276219.db2.gz FIJBPGXNGQAADF-UHFFFAOYSA-N -1 0 488.491 5.515 50 0 JKAARM Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003295790 194270366 /nfs/dbraw/zinc/27/03/66/194270366.db2.gz MOOBWPWXMWLBDH-UHFFFAOYSA-N -1 0 474.051 6.382 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)n1 ZINC000003320630 194280878 /nfs/dbraw/zinc/28/08/78/194280878.db2.gz HUJYFHYFWRGPRX-UHFFFAOYSA-N -1 0 486.597 5.055 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000003328176 194284126 /nfs/dbraw/zinc/28/41/26/194284126.db2.gz DTBHMUFBRFNXPF-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000003328314 194284211 /nfs/dbraw/zinc/28/42/11/194284211.db2.gz ZWSOWBQOQXWISS-UHFFFAOYSA-N -1 0 475.393 5.307 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000003328250 194284221 /nfs/dbraw/zinc/28/42/21/194284221.db2.gz OVCKUPZUDPKNLU-UHFFFAOYSA-N -1 0 495.811 5.652 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 ZINC000003328245 194284227 /nfs/dbraw/zinc/28/42/27/194284227.db2.gz NMKLMSJTVXGRRU-UHFFFAOYSA-N -1 0 469.350 5.682 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Cl)s1 ZINC000003328346 194284296 /nfs/dbraw/zinc/28/42/96/194284296.db2.gz YYGLAUIMVJXFBX-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Cl)cc2Cl)cc1 ZINC000003370231 194305143 /nfs/dbraw/zinc/30/51/43/194305143.db2.gz JMKDOLYWOKXHPG-UHFFFAOYSA-N -1 0 496.347 5.144 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1)c1cccs1 ZINC000003419298 194318157 /nfs/dbraw/zinc/31/81/57/194318157.db2.gz BKXJKEAQIRJJFR-UHFFFAOYSA-N -1 0 470.579 5.735 50 0 JKAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000003634513 194345075 /nfs/dbraw/zinc/34/50/75/194345075.db2.gz AKNZPLGRLJFZQL-ROUUACIJSA-N -1 0 455.576 5.413 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000003864984 194365270 /nfs/dbraw/zinc/36/52/70/194365270.db2.gz RFWWAGZRHAUCRO-GOSISDBHSA-N -1 0 494.183 5.144 50 0 JKAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000004199842 194384221 /nfs/dbraw/zinc/38/42/21/194384221.db2.gz AKNZPLGRLJFZQL-MSOLQXFVSA-N -1 0 455.576 5.413 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000004273446 194386699 /nfs/dbraw/zinc/38/66/99/194386699.db2.gz MDZKJHQSJHYOHJ-LLICELPBSA-N -1 0 472.710 6.204 50 0 endogenous,in-man JKAARM CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004534296 194391746 /nfs/dbraw/zinc/39/17/46/194391746.db2.gz JDTOWOURWBDELG-HSZRJFAPSA-N -1 0 463.599 5.690 50 0 JKAARM Cc1c2c(cc(OCc3cccc(-c4ccc(C(=O)[O-])cc4)c3)c1C)C[C@@H](C1CCCC1)C2=O ZINC000006718473 194434540 /nfs/dbraw/zinc/43/45/40/194434540.db2.gz KMKBEESNZAPKMP-SANMLTNESA-N -1 0 454.566 6.793 50 0 in-vitro JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000008670561 194473894 /nfs/dbraw/zinc/47/38/94/194473894.db2.gz MQTLYRIPLSBFOX-QHCPKHFHSA-N -1 0 484.581 5.452 50 0 JKAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000009601866 194804542 /nfs/dbraw/zinc/80/45/42/194804542.db2.gz ZREPGLOJGAARBD-OAQYLSRUSA-N -1 0 460.490 5.171 50 0 JKAARM Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(OCC(=O)[O-])cc2)Nc2ccccc2-3)cc1 ZINC000009601878 194804825 /nfs/dbraw/zinc/80/48/25/194804825.db2.gz KRICOMJYQPZYPE-XMMPIXPASA-N -1 0 486.553 5.106 50 0 JKAARM O=C([O-])c1cc(N(Cc2cccc3ccccc32)C(=O)c2ccccc2)ccc1N1CCOCC1 ZINC000009891855 195015450 /nfs/dbraw/zinc/01/54/50/195015450.db2.gz XXGKYKNEPYVEOT-UHFFFAOYSA-N -1 0 466.537 5.222 50 0 JKAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000009891859 195015537 /nfs/dbraw/zinc/01/55/37/195015537.db2.gz JTQSIGUZCYKPAC-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM O=C([O-])c1cc(NCc2cccc(OCc3ccccc3Cl)c2)ccc1N1CCOCC1 ZINC000009892672 195016562 /nfs/dbraw/zinc/01/65/62/195016562.db2.gz UYJLURZMIUHMJL-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1cccc(Cl)c1 ZINC000009892692 195016652 /nfs/dbraw/zinc/01/66/52/195016652.db2.gz ZUNJERBISVAZJZ-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000009892670 195016719 /nfs/dbraw/zinc/01/67/19/195016719.db2.gz NVZJSTIASPKONB-UHFFFAOYSA-N -1 0 496.991 5.465 50 0 JKAARM Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C(=O)[O-])c3)c1C2 ZINC000009955193 195035916 /nfs/dbraw/zinc/03/59/16/195035916.db2.gz XFGJSMZOKNVCKV-UHFFFAOYSA-N -1 0 483.549 5.578 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1F ZINC000012605067 195050113 /nfs/dbraw/zinc/05/01/13/195050113.db2.gz AAEFKJOFCYIOBI-OAHLLOKOSA-N -1 0 499.589 5.078 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1F ZINC000012605065 195050201 /nfs/dbraw/zinc/05/02/01/195050201.db2.gz AAEFKJOFCYIOBI-HNNXBMFYSA-N -1 0 499.589 5.078 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000012661345 195081068 /nfs/dbraw/zinc/08/10/68/195081068.db2.gz CSBNJXPGMPRBHA-UQBPGWFLSA-N -1 0 494.931 5.306 50 0 biogenic JKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 ZINC000020615506 195187601 /nfs/dbraw/zinc/18/76/01/195187601.db2.gz VPEDKIURRZJVOV-UHFFFAOYSA-N -1 0 463.362 5.714 50 0 JKAARM O=C([O-])c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020616686 195188452 /nfs/dbraw/zinc/18/84/52/195188452.db2.gz FASJQPAYYMGDEG-QYQHSDTDSA-N -1 0 452.825 5.114 50 0 JKAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)cc21 ZINC000020716175 195205900 /nfs/dbraw/zinc/20/59/00/195205900.db2.gz UPNDCZSZGOCULU-UHFFFAOYSA-N -1 0 495.432 5.883 50 0 JKAARM O=C(Nc1cc(C(F)(F)F)ccc1[S-])c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000020662485 195196046 /nfs/dbraw/zinc/19/60/46/195196046.db2.gz XKOGDAIRXGMABI-UHFFFAOYSA-N -1 0 482.409 5.975 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1cc(-c2ccccc2)on1 ZINC000021149522 195282245 /nfs/dbraw/zinc/28/22/45/195282245.db2.gz OQPLWXHFTUEMBO-UHFFFAOYSA-N -1 0 487.309 6.334 50 0 JKAARM Cc1cc(NC(=O)Nc2ccc(F)cc2F)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021357856 195297832 /nfs/dbraw/zinc/29/78/32/195297832.db2.gz HMDYDSDXXVACPS-UHFFFAOYSA-N -1 0 474.514 5.328 50 0 JKAARM Cc1ccccc1[C@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)CCC(=O)[O-] ZINC000062602341 195426092 /nfs/dbraw/zinc/42/60/92/195426092.db2.gz JWMNTVFYNUZJAR-AREMUKBSSA-N -1 0 477.564 6.061 50 0 JKAARM Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000096254751 130002949 /nfs/dbraw/zinc/00/29/49/130002949.db2.gz QPWYDAPQTHDVDU-SRZZPIQSSA-N -1 0 467.930 6.152 50 0 JKAARM C[C@@H]1C[C@@H](C)CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000102894484 130376850 /nfs/dbraw/zinc/37/68/50/130376850.db2.gz AZUBLUCUVBKMRJ-SNUQEOBHSA-N -1 0 477.417 6.131 50 0 JKAARM CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])c(OCC)c1)Nc1ccccc1-2 ZINC000009601822 517558134 /nfs/dbraw/zinc/55/81/34/517558134.db2.gz RJAIPWIGPGFJJS-QHCPKHFHSA-N -1 0 496.589 5.186 50 0 JKAARM CC(C)(C)OC(=O)NCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044831660 518827895 /nfs/dbraw/zinc/82/78/95/518827895.db2.gz CLFMIWUWBOOJLY-QHCPKHFHSA-N -1 0 482.577 5.063 50 0 JKAARM CC(C)(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146040 519038616 /nfs/dbraw/zinc/03/86/16/519038616.db2.gz ZARDLXCITBUFSQ-UHFFFAOYSA-N -1 0 487.419 5.800 50 0 JKAARM CC(C)C(=O)c1cn(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)[O-])cc12 ZINC000049110374 519535005 /nfs/dbraw/zinc/53/50/05/519535005.db2.gz BOEJDYFVYZETDG-HXUWFJFHSA-N -1 0 473.525 5.410 50 0 in-vitro JKAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000033169248 519714363 /nfs/dbraw/zinc/71/43/63/519714363.db2.gz YGGWWBTXQAYLFV-UHFFFAOYSA-N -1 0 471.991 5.684 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000033254040 520544325 /nfs/dbraw/zinc/54/43/25/520544325.db2.gz FVTQCCGIYORZCA-UHFFFAOYSA-N -1 0 468.575 5.001 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1OC ZINC000020492207 520807118 /nfs/dbraw/zinc/80/71/18/520807118.db2.gz YOTCSOHNGCWPIF-UHFFFAOYSA-N -1 0 468.307 5.160 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4C)s3)no2)cc1 ZINC000046086990 520848259 /nfs/dbraw/zinc/84/82/59/520848259.db2.gz YOKSHVHIXVENCH-UHFFFAOYSA-N -1 0 480.615 6.225 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCC(=O)c4ccccc4)s3)no2)cc1 ZINC000046086905 520849692 /nfs/dbraw/zinc/84/96/92/520849692.db2.gz QPBHYUSESSGFGW-UHFFFAOYSA-N -1 0 494.598 5.599 50 0 JKAARM CC1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)CC1 ZINC000022852074 521033695 /nfs/dbraw/zinc/03/36/95/521033695.db2.gz ADYYPZITQFBXQK-QGZVFWFLSA-N -1 0 473.396 5.340 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010620 521129633 /nfs/dbraw/zinc/12/96/33/521129633.db2.gz MGAPNEBIUFWAMM-UHFFFAOYSA-N -1 0 470.591 5.184 50 0 JKAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003321930 521141410 /nfs/dbraw/zinc/14/14/10/521141410.db2.gz QXWCBTWKCYVZTI-UHFFFAOYSA-N -1 0 499.390 5.335 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)s1 ZINC000033306562 521196250 /nfs/dbraw/zinc/19/62/50/521196250.db2.gz PKVOEAALNQVNCH-RMKNXTFCSA-N -1 0 481.983 5.026 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)s1 ZINC000033306561 521196411 /nfs/dbraw/zinc/19/64/11/521196411.db2.gz WGNVYHTULOPFCM-VMPITWQZSA-N -1 0 469.947 5.157 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882709 521203347 /nfs/dbraw/zinc/20/33/47/521203347.db2.gz LXQBJDGASMVQOO-FQEVSTJZSA-N -1 0 493.633 5.336 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882708 521203506 /nfs/dbraw/zinc/20/35/06/521203506.db2.gz LXQBJDGASMVQOO-HXUWFJFHSA-N -1 0 493.633 5.336 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000021882729 521204192 /nfs/dbraw/zinc/20/41/92/521204192.db2.gz UBLRINVDNIQROH-FQEVSTJZSA-N -1 0 479.606 5.027 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000021882728 521205158 /nfs/dbraw/zinc/20/51/58/521205158.db2.gz UBLRINVDNIQROH-HXUWFJFHSA-N -1 0 479.606 5.027 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000089269836 521299324 /nfs/dbraw/zinc/29/93/24/521299324.db2.gz MQRHDUREGZLUOP-HSZRJFAPSA-N -1 0 479.964 5.528 50 0 JKAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000035479636 521375555 /nfs/dbraw/zinc/37/55/55/521375555.db2.gz OBODIJLRNWGJEB-UHFFFAOYSA-N -1 0 493.629 5.655 50 0 JKAARM CCOC(=O)c1c(C)n(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000012369538 521394074 /nfs/dbraw/zinc/39/40/74/521394074.db2.gz ONMXDOFZXBVWQB-UHFFFAOYSA-N -1 0 495.000 6.084 50 0 JKAARM CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1c(Br)cc(Br)c2[O-] ZINC000002075162 521412307 /nfs/dbraw/zinc/41/23/07/521412307.db2.gz JGIYLIYWCPXYNZ-UHFFFAOYSA-N -1 0 499.180 5.561 50 0 JKAARM CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004662439 521448384 /nfs/dbraw/zinc/44/83/84/521448384.db2.gz HBRNVJPGPIDHOC-QXAKKESOSA-N -1 0 455.576 5.462 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000046141402 521554142 /nfs/dbraw/zinc/55/41/42/521554142.db2.gz VHOTVIUJPUVALF-UHFFFAOYSA-N -1 0 459.524 5.112 50 0 JKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000008605384 521619735 /nfs/dbraw/zinc/61/97/35/521619735.db2.gz IMPCJHDDDAGSIP-UHFFFAOYSA-N -1 0 465.980 5.363 50 0 JKAARM CCCN(CCC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 ZINC000033260509 521649716 /nfs/dbraw/zinc/64/97/16/521649716.db2.gz KTSDUPFCJZQEAE-UHFFFAOYSA-N -1 0 470.367 5.574 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000033654927 521730010 /nfs/dbraw/zinc/73/00/10/521730010.db2.gz FRFHITRCRPDCFU-RGEXLXHISA-N -1 0 497.982 6.215 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC000033497046 521730325 /nfs/dbraw/zinc/73/03/25/521730325.db2.gz WMKUORDFOAKEJF-JCMHNJIXSA-N -1 0 477.564 5.870 50 0 JKAARM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2cccc(C)c2)n1 ZINC000008612081 521787838 /nfs/dbraw/zinc/78/78/38/521787838.db2.gz XURZVWJPWMDSJY-UHFFFAOYSA-N -1 0 466.950 5.801 50 0 JKAARM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2)n1 ZINC000009431801 521788232 /nfs/dbraw/zinc/78/82/32/521788232.db2.gz SNNXRUWNOMPTAV-UHFFFAOYSA-N -1 0 482.949 5.501 50 0 JKAARM COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)ccc1Cl ZINC000016448617 521889053 /nfs/dbraw/zinc/88/90/53/521889053.db2.gz CYEIXIYUKRULBB-UHFFFAOYSA-N -1 0 493.368 5.142 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000001270690 522429521 /nfs/dbraw/zinc/42/95/21/522429521.db2.gz YPXRBDNNCPTQJX-OAHLLOKOSA-N -1 0 490.614 5.692 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000045992810 522437866 /nfs/dbraw/zinc/43/78/66/522437866.db2.gz MKXHAPWXDGNIRZ-UHFFFAOYSA-N -1 0 493.606 5.890 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1Cl ZINC000033299235 522814783 /nfs/dbraw/zinc/81/47/83/522814783.db2.gz WNEJLRAZJALUKP-UHFFFAOYSA-N -1 0 482.889 5.202 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1Cl ZINC000033290026 522815250 /nfs/dbraw/zinc/81/52/50/522815250.db2.gz RCEMVXNDXIYGLC-UHFFFAOYSA-N -1 0 459.014 5.268 50 0 JKAARM COCc1cc(C)nc2sc3c(c21)N[C@H](c1ccccc1C(=O)[O-])n1c2ccccc2nc1-3 ZINC000012445661 522920758 /nfs/dbraw/zinc/92/07/58/522920758.db2.gz AXJJPWVFQREZDS-QFIPXVFZSA-N -1 0 456.527 5.438 50 0 JKAARM CCn1c(CCc2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)nc2ccccc21 ZINC000033116544 523183645 /nfs/dbraw/zinc/18/36/45/523183645.db2.gz XSFXUJSOWAQECW-UHFFFAOYSA-N -1 0 490.448 5.466 50 0 JKAARM CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(NC(=O)/C=C(/C)C(=O)[O-])cc3)ccc21 ZINC000037018949 523275697 /nfs/dbraw/zinc/27/56/97/523275697.db2.gz FFGSTXAKDYNXSM-VKAVYKQESA-N -1 0 487.581 5.515 50 0 JKAARM COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000033028258 523758875 /nfs/dbraw/zinc/75/88/75/523758875.db2.gz NHEYPDMBBYGSFV-UHFFFAOYSA-N -1 0 479.602 5.047 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000046141409 523843418 /nfs/dbraw/zinc/84/34/18/523843418.db2.gz MJINWWFOLYWXCQ-UHFFFAOYSA-N -1 0 459.524 5.030 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010706 523843714 /nfs/dbraw/zinc/84/37/14/523843714.db2.gz HDSLYVUZTYEPLD-UHFFFAOYSA-N -1 0 470.591 5.102 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)c1 ZINC000009009297 524196751 /nfs/dbraw/zinc/19/67/51/524196751.db2.gz PKDCCWDGEZIKQS-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146426 524241671 /nfs/dbraw/zinc/24/16/71/524241671.db2.gz OVBYUWUOUDJYHG-UHFFFAOYSA-N -1 0 495.782 5.164 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)sc1C ZINC000033299285 524245375 /nfs/dbraw/zinc/24/53/75/524245375.db2.gz RULBSCOXBCPCMV-UHFFFAOYSA-N -1 0 452.863 5.193 50 0 JKAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)cc2C(=O)[O-])cc1 ZINC000045967842 524276035 /nfs/dbraw/zinc/27/60/35/524276035.db2.gz QKWSGWFJRMWSOU-UHFFFAOYSA-N -1 0 477.992 5.163 50 0 JKAARM COc1ccccc1C(=O)Nc1ccc2nc(N3CC[C@H](c4ccccc4C)C3)cc(C(=O)[O-])c2c1 ZINC000033260580 524358328 /nfs/dbraw/zinc/35/83/28/524358328.db2.gz FNFJHYJAALAZDG-IBGZPJMESA-N -1 0 481.552 5.496 50 0 JKAARM Cc1cccc(Cn2nc(C(C)(C)C)cc2-c2nnc(SCC(=O)[O-])n2C2CCCCC2)c1 ZINC000012370086 524495157 /nfs/dbraw/zinc/49/51/57/524495157.db2.gz NPSWWNXGQOAOFM-UHFFFAOYSA-N -1 0 467.639 5.478 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000033078592 524560324 /nfs/dbraw/zinc/56/03/24/524560324.db2.gz BIQONQVNCNGJEV-SFHVURJKSA-N -1 0 463.965 5.314 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])[C@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013896235 524595476 /nfs/dbraw/zinc/59/54/76/524595476.db2.gz GULRMEJABIDYNL-LSYYVWMOSA-N -1 0 488.584 5.942 50 0 JKAARM Cc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002412890 524621635 /nfs/dbraw/zinc/62/16/35/524621635.db2.gz QJWBUKRKJZOUTP-UHFFFAOYSA-N -1 0 473.385 5.658 50 0 JKAARM Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccc2OCC(=O)[O-])Nc2ccccc2-3)cc1 ZINC000002882531 524649020 /nfs/dbraw/zinc/64/90/20/524649020.db2.gz RNVQYFKBCVZXNT-DEOSSOPVSA-N -1 0 486.553 5.106 50 0 JKAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000033048502 524673951 /nfs/dbraw/zinc/67/39/51/524673951.db2.gz CWAUSIVQBCYUCP-UHFFFAOYSA-N -1 0 480.970 5.398 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c(OC)c1 ZINC000016215571 524695465 /nfs/dbraw/zinc/69/54/65/524695465.db2.gz XSFXPLQGBSCCGI-UHFFFAOYSA-N -1 0 464.337 5.059 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000002290148 524701243 /nfs/dbraw/zinc/70/12/43/524701243.db2.gz JZAYRXWDPJEXML-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014243544 524714586 /nfs/dbraw/zinc/71/45/86/524714586.db2.gz JXSVIVRDWWRQRT-LBWJMHIJSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002427800 524759027 /nfs/dbraw/zinc/75/90/27/524759027.db2.gz BHPFBXGAGINEGT-UHFFFAOYSA-N -1 0 493.803 6.443 50 0 JKAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)c1 ZINC000046141450 524870804 /nfs/dbraw/zinc/87/08/04/524870804.db2.gz OBMIADMDHTUNSM-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000022852543 525059284 /nfs/dbraw/zinc/05/92/84/525059284.db2.gz ZGMWEOIPDRSFJC-PSTGCABASA-N -1 0 479.389 5.262 50 0 JKAARM Cc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1Cl ZINC000022536910 525076253 /nfs/dbraw/zinc/07/62/53/525076253.db2.gz DEPVCSZDPXRRNC-UHFFFAOYSA-N -1 0 454.935 5.330 50 0 JKAARM Cc1ccccc1C1=CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000033253704 525086948 /nfs/dbraw/zinc/08/69/48/525086948.db2.gz STAXRHONBHRCOK-UHFFFAOYSA-N -1 0 482.989 5.441 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000006146762 525247040 /nfs/dbraw/zinc/24/70/40/525247040.db2.gz UIFBFFFHGOSQPN-UHFFFAOYSA-N -1 0 459.365 5.119 50 0 JKAARM Cc1ccccc1NC(=O)[C@@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000022756448 525257862 /nfs/dbraw/zinc/25/78/62/525257862.db2.gz QQBOHDOLFAVIRX-SANMLTNESA-N -1 0 496.588 6.418 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000008836037 525271094 /nfs/dbraw/zinc/27/10/94/525271094.db2.gz CSBNJXPGMPRBHA-CLOONOSVSA-N -1 0 494.931 5.306 50 0 biogenic JKAARM Cc1cc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)ccc1Br ZINC000033299220 525287469 /nfs/dbraw/zinc/28/74/69/525287469.db2.gz IELOZAIWJYCFIH-UHFFFAOYSA-N -1 0 467.288 5.294 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003209689 525330191 /nfs/dbraw/zinc/33/01/91/525330191.db2.gz KGEKJGGFHPNCRH-UHFFFAOYSA-N -1 0 475.393 5.307 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002327486 525330536 /nfs/dbraw/zinc/33/05/36/525330536.db2.gz ZCPLAAZUOPYDOM-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM Cc1ccccc1[C@@H]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)C1 ZINC000033260575 525384401 /nfs/dbraw/zinc/38/44/01/525384401.db2.gz AVUAMPSFYDCKAN-LJQANCHMSA-N -1 0 469.516 5.627 50 0 JKAARM Cc1ccccc1[C@H]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)C1 ZINC000033260576 525440805 /nfs/dbraw/zinc/44/08/05/525440805.db2.gz AVUAMPSFYDCKAN-IBGZPJMESA-N -1 0 469.516 5.627 50 0 JKAARM Cc1c(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000016050370 525519899 /nfs/dbraw/zinc/51/98/99/525519899.db2.gz DWLDHMPZAMWFMI-JZJYNLBNSA-N -1 0 490.534 6.741 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4OC)cc3)sc2c1 ZINC000033169203 525655712 /nfs/dbraw/zinc/65/57/12/525655712.db2.gz GOKSZPAPLPUSPC-UHFFFAOYSA-N -1 0 460.964 5.435 50 0 JKAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cccc(Cl)c2C)n(C)c(=O)n3C)cc1 ZINC000045941170 525670124 /nfs/dbraw/zinc/67/01/24/525670124.db2.gz FPCNDPRFMNSLQR-UHFFFAOYSA-N -1 0 488.034 5.099 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)N(C)c3ccc(F)cc3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012252236 525818509 /nfs/dbraw/zinc/81/85/09/525818509.db2.gz RCWCBBVAZQSKHV-UHFFFAOYSA-N -1 0 495.601 5.112 50 0 JKAARM Cc1ccc(-n2[n-]c(C(C)C)c(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)c2=O)cc1 ZINC000036084917 525927873 /nfs/dbraw/zinc/92/78/73/525927873.db2.gz JGKOPMJUJYININ-UHFFFAOYSA-N -1 0 490.401 6.692 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2oc1C(=O)N1CCCC1 ZINC000065010440 525941975 /nfs/dbraw/zinc/94/19/75/525941975.db2.gz KTTFROCEUYKIRM-UHFFFAOYSA-N -1 0 460.983 5.357 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010604 525942048 /nfs/dbraw/zinc/94/20/48/525942048.db2.gz IKMPVZVFPRJLOI-UHFFFAOYSA-N -1 0 454.592 5.402 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010592 525942187 /nfs/dbraw/zinc/94/21/87/525942187.db2.gz YGEVHXWQGXQJGL-UHFFFAOYSA-N -1 0 475.010 5.747 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2oc1C(=O)N1CCCCC1 ZINC000065010633 525942782 /nfs/dbraw/zinc/94/27/82/525942782.db2.gz CSHSBCLXPQMGGQ-UHFFFAOYSA-N -1 0 475.010 5.747 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2oc1C(=O)N1CCCCC1 ZINC000065010585 525945684 /nfs/dbraw/zinc/94/56/84/525945684.db2.gz HWCQVGZHLZRROO-UHFFFAOYSA-N -1 0 460.983 5.438 50 0 JKAARM CSc1cccc(NC(=S)[N-]c2ccccc2SCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000008629715 526138275 /nfs/dbraw/zinc/13/82/75/526138275.db2.gz WVEWQBAVISYCBY-UHFFFAOYSA-N -1 0 499.086 7.213 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1F ZINC000011916031 526242696 /nfs/dbraw/zinc/24/26/96/526242696.db2.gz YSFZZMFBUJTBNF-UHFFFAOYSA-N -1 0 498.466 5.790 50 0 JKAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(C(F)(F)F)c3)nc2c1 ZINC000012462622 526254203 /nfs/dbraw/zinc/25/42/03/526254203.db2.gz XLCFVYKMQUQDPB-UHFFFAOYSA-N -1 0 492.910 6.155 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627177 526270363 /nfs/dbraw/zinc/27/03/63/526270363.db2.gz DTPCNUHGVJIIKP-RBUKOAKNSA-N -1 0 476.404 5.150 50 0 JKAARM O=C([O-])[C@@H]1CCc2sc3nc(SCc4ccc(Cl)cc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002180944 526283654 /nfs/dbraw/zinc/28/36/54/526283654.db2.gz OECYVHHXBSYYHR-MRXNPFEDSA-N -1 0 468.987 5.507 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(Br)s1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243678 526306568 /nfs/dbraw/zinc/30/65/68/526306568.db2.gz ABNLVFDGUSJGFG-IBGZPJMESA-N -1 0 472.360 5.045 50 0 JKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)CC2 ZINC000034864481 526341374 /nfs/dbraw/zinc/34/13/74/526341374.db2.gz DFKHJQXLLDIVAL-CYVLTUHYSA-N -1 0 477.951 6.926 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1ccccc1Br ZINC000033685276 526341494 /nfs/dbraw/zinc/34/14/94/526341494.db2.gz OILSTANIHYOBMF-ZHZULCJRSA-N -1 0 485.381 6.252 50 0 JKAARM O=C([O-])c1cc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000021715268 526348387 /nfs/dbraw/zinc/34/83/87/526348387.db2.gz HKLZJTNJJYSXGT-SANMLTNESA-N -1 0 457.961 5.498 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc(NC(=O)c3ccccc3Cl)cc21 ZINC000033260590 526348696 /nfs/dbraw/zinc/34/86/96/526348696.db2.gz KQOUOVXJMLATNX-UHFFFAOYSA-N -1 0 486.959 5.165 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000033260812 526348956 /nfs/dbraw/zinc/34/89/56/526348956.db2.gz IIJWHOCHRXLPQM-UHFFFAOYSA-N -1 0 486.959 5.165 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000033253482 526352973 /nfs/dbraw/zinc/35/29/73/526352973.db2.gz KSFVUMKDUYNBIG-UHFFFAOYSA-N -1 0 490.556 5.532 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000033253485 526353641 /nfs/dbraw/zinc/35/36/41/526353641.db2.gz SEQVDMGRAJXNCS-UHFFFAOYSA-N -1 0 490.556 5.532 50 0 JKAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCC/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000033577363 526386502 /nfs/dbraw/zinc/38/65/02/526386502.db2.gz OEQFLBSQTBNHMR-PGMHBOJBSA-N -1 0 452.510 5.398 50 0 JKAARM O=C([O-])c1cccc(S(=O)(=O)NC[C@H](c2c3ccccc3[nH]c2-c2ccccc2)c2ccccc2)c1 ZINC000033048036 526394534 /nfs/dbraw/zinc/39/45/34/526394534.db2.gz RGVFMGUEEJXJHU-VWLOTQADSA-N -1 0 496.588 5.644 50 0 JKAARM O=C(c1ccc(S(=O)(=O)[O-])cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000095481741 526711537 /nfs/dbraw/zinc/71/15/37/526711537.db2.gz BVNCVADDZKIAMF-KOPYOMKSSA-N -1 0 472.566 5.370 50 0 JKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1-c1cc(C(F)(F)F)on1 ZINC000033299328 526875230 /nfs/dbraw/zinc/87/52/30/526875230.db2.gz BMUKMNXXIOYIKC-UHFFFAOYSA-N -1 0 450.891 5.801 50 0 JKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002783065 526881831 /nfs/dbraw/zinc/88/18/31/526881831.db2.gz IQXMTAGKSKCIEY-MOPGFXCFSA-N -1 0 454.592 5.332 50 0 JKAARM Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cn1C ZINC000033289273 527014754 /nfs/dbraw/zinc/01/47/54/527014754.db2.gz ACRXLKFRKVWMHH-UHFFFAOYSA-N -1 0 453.376 5.113 50 0 JKAARM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146950 527109403 /nfs/dbraw/zinc/10/94/03/527109403.db2.gz UZYKDNIXSTVEKI-UHFFFAOYSA-N -1 0 457.285 5.325 50 0 JKAARM O=S(=O)(/C=C/c1ccccc1)[N-]c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1 ZINC000006144556 527158284 /nfs/dbraw/zinc/15/82/84/527158284.db2.gz ZYQVARWELCUGNT-OUKQBFOZSA-N -1 0 498.320 6.673 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627261 527205020 /nfs/dbraw/zinc/20/50/20/527205020.db2.gz NZAICLFBDXZRIL-LJQANCHMSA-N -1 0 492.407 5.162 50 0 JKAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852752 527206899 /nfs/dbraw/zinc/20/68/99/527206899.db2.gz XGUANDBDUCMMTB-SANMLTNESA-N -1 0 495.652 5.301 50 0 JKAARM O=S(=O)([N-]c1ccccc1SCc1cccc(Cl)c1F)c1cc(Cl)sc1Cl ZINC000008618211 527256003 /nfs/dbraw/zinc/25/60/03/527256003.db2.gz LCYWJQISYSPYAO-UHFFFAOYSA-N -1 0 482.838 6.941 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000016545153 527258617 /nfs/dbraw/zinc/25/86/17/527258617.db2.gz ZUAJQVYLFYFWMK-UHFFFAOYSA-N -1 0 479.993 5.428 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000017209138 527259250 /nfs/dbraw/zinc/25/92/50/527259250.db2.gz XJHHVLYJUQGKQY-UHFFFAOYSA-N -1 0 473.327 5.076 50 0 JKAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000020394266 527523274 /nfs/dbraw/zinc/52/32/74/527523274.db2.gz QOFGFJFAZXUVIO-SANMLTNESA-N -1 0 461.525 5.514 50 0 JKAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C[C@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033709363 527545813 /nfs/dbraw/zinc/54/58/13/527545813.db2.gz BZBKBBJAVVSWHX-VZWFDDOASA-N -1 0 486.015 7.230 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000013303426 527572078 /nfs/dbraw/zinc/57/20/78/527572078.db2.gz LLZZKDDEAGYORC-FSHDWPLLSA-N -1 0 457.357 5.981 50 0 JKAARM O=C([O-])CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCO ZINC000025723210 527577281 /nfs/dbraw/zinc/57/72/81/527577281.db2.gz WCQMLLWIWAAQRG-UHFFFAOYSA-N -1 0 498.789 8.749 50 0 JKAARM O=C([O-])CCN(CCc1ccccc1)c1nc(-c2cccc(Br)c2)nc2ccccc21 ZINC000037383061 527589911 /nfs/dbraw/zinc/58/99/11/527589911.db2.gz CTYSFOXTXUDWII-UHFFFAOYSA-N -1 0 476.374 5.583 50 0 JKAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627181 553714916 /nfs/dbraw/zinc/71/49/16/553714916.db2.gz DTPCNUHGVJIIKP-OALUTQOASA-N -1 0 476.404 5.150 50 0 JKAARM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cn3ccsc3n2)c1 ZINC000000629449 553716682 /nfs/dbraw/zinc/71/66/82/553716682.db2.gz SOMFGPTZFMWHNG-UHFFFAOYSA-N -1 0 454.360 5.179 50 0 JKAARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000661267 553739559 /nfs/dbraw/zinc/73/95/59/553739559.db2.gz KZIBUPZZAYHOAS-PDGQHHTCSA-N -1 0 459.424 5.307 50 0 JKAARM COc1ccc(C(=O)Nc2cc(C)c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000000719274 553771203 /nfs/dbraw/zinc/77/12/03/553771203.db2.gz ZMVLZVNCSLJUPH-UHFFFAOYSA-N -1 0 473.978 5.571 50 0 JKAARM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)c4ccccc34)c2C(=O)C1 ZINC000000834444 553791438 /nfs/dbraw/zinc/79/14/38/553791438.db2.gz DGRFMIBTNJTHDA-UHFFFAOYSA-N -1 0 469.562 6.695 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000000939283 553875747 /nfs/dbraw/zinc/87/57/47/553875747.db2.gz KHGBBGXFMLBRBC-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000942851 553877813 /nfs/dbraw/zinc/87/78/13/553877813.db2.gz YSLQGMCBHFDPRO-UHFFFAOYSA-N -1 0 496.633 5.009 50 0 JKAARM CC(C)(C)[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944095 553878420 /nfs/dbraw/zinc/87/84/20/553878420.db2.gz XSDQVGQIZKDGDN-ZDUSSCGKSA-N -1 0 452.403 6.691 50 0 JKAARM O=C(Nc1cc(C(=O)c2ccco2)ccc1Cl)c1cc(Br)cc(Br)c1[O-] ZINC000000977253 553889599 /nfs/dbraw/zinc/88/95/99/553889599.db2.gz RYRDOELDTRWWIJ-UHFFFAOYSA-N -1 0 499.542 5.647 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000001167243 553920773 /nfs/dbraw/zinc/92/07/73/553920773.db2.gz AQSZNKAPVAYYBH-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])occ3-c1ccccc1 ZINC000002098248 554041440 /nfs/dbraw/zinc/04/14/40/554041440.db2.gz GGZQOPCAWIQMFY-QFIPXVFZSA-N -1 0 461.514 5.063 50 0 biogenic JKAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002101738 554042958 /nfs/dbraw/zinc/04/29/58/554042958.db2.gz HQSHRBUJRYTZHG-JOCHJYFZSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002113334 554051508 /nfs/dbraw/zinc/05/15/08/554051508.db2.gz KBVGQOPKBZOBBN-JOCHJYFZSA-N -1 0 475.541 5.434 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002113001 554051559 /nfs/dbraw/zinc/05/15/59/554051559.db2.gz SVYZUCPGSURQMN-UHFFFAOYSA-N -1 0 461.514 5.127 50 0 biogenic JKAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002113332 554051613 /nfs/dbraw/zinc/05/16/13/554051613.db2.gz KBVGQOPKBZOBBN-QFIPXVFZSA-N -1 0 475.541 5.434 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002114181 554052540 /nfs/dbraw/zinc/05/25/40/554052540.db2.gz LFJOSAXHSDEHDF-DEOSSOPVSA-N -1 0 499.494 5.008 50 0 biogenic JKAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002114673 554052884 /nfs/dbraw/zinc/05/28/84/554052884.db2.gz SGVHWQRSHRTFGC-JOCHJYFZSA-N -1 0 475.541 5.434 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1)occ3-c1ccc(F)cc1 ZINC000002117278 554053887 /nfs/dbraw/zinc/05/38/87/554053887.db2.gz NCWFQQVPYDRYAY-SANMLTNESA-N -1 0 485.467 5.138 50 0 biogenic JKAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002117273 554053925 /nfs/dbraw/zinc/05/39/25/554053925.db2.gz IWEFOQSBSSKWFI-NRFANRHFSA-N -1 0 481.932 5.470 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002119907 554055098 /nfs/dbraw/zinc/05/50/98/554055098.db2.gz XYPLPZRAHYLCSB-UHFFFAOYSA-N -1 0 461.514 5.045 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002126077 554058253 /nfs/dbraw/zinc/05/82/53/554058253.db2.gz ZLGJXOQFOWVJHX-BZQUYTCOSA-N -1 0 489.568 5.680 50 0 biogenic JKAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])c(C)c4cc32)cc1 ZINC000002138001 554062974 /nfs/dbraw/zinc/06/29/74/554062974.db2.gz KRICIHIHWBROPF-VWLOTQADSA-N -1 0 495.531 5.178 50 0 biogenic JKAARM Cc1cc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000002142855 554064764 /nfs/dbraw/zinc/06/47/64/554064764.db2.gz VAOWYJHLVUVUBH-UHFFFAOYSA-N -1 0 490.330 7.222 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002198570 554090151 /nfs/dbraw/zinc/09/01/51/554090151.db2.gz HTQPBYJCKLPMDF-UHFFFAOYSA-N -1 0 496.976 5.394 50 0 JKAARM CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1 ZINC000002219642 554099860 /nfs/dbraw/zinc/09/98/60/554099860.db2.gz QEECWERQPVQDHB-UHFFFAOYSA-N -1 0 467.319 5.543 50 0 JKAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)cc1 ZINC000002225450 554102959 /nfs/dbraw/zinc/10/29/59/554102959.db2.gz DKESQPHLJVLNKA-UHFFFAOYSA-N -1 0 470.963 5.078 50 0 JKAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002257063 554119596 /nfs/dbraw/zinc/11/95/96/554119596.db2.gz WIRRZFQEBKMZHQ-QGZVFWFLSA-N -1 0 468.781 5.022 50 0 JKAARM O=C([O-])c1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cc1 ZINC000002258245 554120429 /nfs/dbraw/zinc/12/04/29/554120429.db2.gz WEUWONXDGQFFQU-UHFFFAOYSA-N -1 0 468.987 5.580 50 0 JKAARM O=C([O-])c1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCCC4)cc1 ZINC000002260985 554121875 /nfs/dbraw/zinc/12/18/75/554121875.db2.gz JSLBBQCVJWJABM-UHFFFAOYSA-N -1 0 483.014 5.970 50 0 JKAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3ccccc3c2)cc1 ZINC000002262067 554122359 /nfs/dbraw/zinc/12/23/59/554122359.db2.gz CNIOWSJRNNAWFF-UHFFFAOYSA-N -1 0 483.553 5.286 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000002290360 554134687 /nfs/dbraw/zinc/13/46/87/554134687.db2.gz JJIIITNSCITHKJ-UHFFFAOYSA-N -1 0 457.368 5.611 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5ccccc5n(CC(C)C)c4=O)cc3)sc2c1 ZINC000002291340 554135663 /nfs/dbraw/zinc/13/56/63/554135663.db2.gz QREZHVUHKGIUTP-UHFFFAOYSA-N -1 0 483.593 6.201 50 0 JKAARM Cc1cc(Br)ccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002336031 554153746 /nfs/dbraw/zinc/15/37/46/554153746.db2.gz LOBRAZFRKRXMNM-UHFFFAOYSA-N -1 0 487.354 5.384 50 0 JKAARM CCCCOc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002346964 554159626 /nfs/dbraw/zinc/15/96/26/554159626.db2.gz WHGRQLCWISPAGL-UHFFFAOYSA-N -1 0 482.993 6.007 50 0 JKAARM CC(C)(C)c1oc2cc(Br)c(OCc3cccc(Br)c3)cc2c1C(=O)[O-] ZINC000002352419 554162184 /nfs/dbraw/zinc/16/21/84/554162184.db2.gz WKOJTHBMYVHDFZ-UHFFFAOYSA-N -1 0 482.168 6.533 50 0 JKAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002356117 554163964 /nfs/dbraw/zinc/16/39/64/554163964.db2.gz SEOMILFTFIEZPH-UHFFFAOYSA-N -1 0 452.923 5.030 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4-c4ccccc4C(=O)[O-])cc3)sc2c1 ZINC000002361492 554165917 /nfs/dbraw/zinc/16/59/17/554165917.db2.gz QGISGNOEIGJIQK-UHFFFAOYSA-N -1 0 464.546 6.889 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385856 554177531 /nfs/dbraw/zinc/17/75/31/554177531.db2.gz UAGBOWBNDBDJMF-QGZVFWFLSA-N -1 0 470.352 5.918 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385842 554177541 /nfs/dbraw/zinc/17/75/41/554177541.db2.gz LQGDRWACMZMSCD-JOCHJYFZSA-N -1 0 451.522 5.764 50 0 JKAARM CC(C)(C)Oc1ccc(C[C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002386822 554177874 /nfs/dbraw/zinc/17/78/74/554177874.db2.gz PAFSELQEYJTCCG-FQEVSTJZSA-N -1 0 473.569 5.788 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386918 554177923 /nfs/dbraw/zinc/17/79/23/554177923.db2.gz PGIMVGROPOKRNA-QFIPXVFZSA-N -1 0 456.325 5.528 50 0 JKAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002395704 554182617 /nfs/dbraw/zinc/18/26/17/554182617.db2.gz HSKKVKFBVGPFBZ-UHFFFAOYSA-N -1 0 489.384 5.880 50 0 JKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Br)cc3Cl)n2)c1[O-] ZINC000002402480 554186626 /nfs/dbraw/zinc/18/66/26/554186626.db2.gz HYYSDWMGYRQBNF-UHFFFAOYSA-N -1 0 457.711 6.219 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1 ZINC000002425163 554200910 /nfs/dbraw/zinc/20/09/10/554200910.db2.gz XXCQQVVUHZQFFG-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000002426139 554201485 /nfs/dbraw/zinc/20/14/85/554201485.db2.gz ZNVZGOQFEJBDFR-RUZDIDTESA-N -1 0 465.933 5.514 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccc(Br)cc21 ZINC000002428707 554203496 /nfs/dbraw/zinc/20/34/96/554203496.db2.gz KEZZWAXQXARTTF-UHFFFAOYSA-N -1 0 463.114 6.929 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000002429719 554204167 /nfs/dbraw/zinc/20/41/67/554204167.db2.gz DBGBHHIENGKDBR-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM O=C([O-])CCN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(F)cc4)n3)cc21 ZINC000002511317 554231795 /nfs/dbraw/zinc/23/17/95/554231795.db2.gz CALWDSVILMZCBD-UHFFFAOYSA-N -1 0 468.484 5.422 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569519 554236739 /nfs/dbraw/zinc/23/67/39/554236739.db2.gz YMEGJWTUWMVZPD-JOCHJYFZSA-N -1 0 455.432 5.240 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000002597786 554239901 /nfs/dbraw/zinc/23/99/01/554239901.db2.gz FUNIWNOQROVOQV-UHFFFAOYSA-N -1 0 490.412 6.456 50 0 JKAARM Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3)nc1SCC(=O)Nc1cccc(C(=O)[O-])c1)O2 ZINC000002687999 554283919 /nfs/dbraw/zinc/28/39/19/554283919.db2.gz SAIQAQCVDYISFQ-UHFFFAOYSA-N -1 0 483.549 5.578 50 0 JKAARM O=C([O-])c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2Cc2ccccc2O3)c1 ZINC000002692282 554288630 /nfs/dbraw/zinc/28/86/30/554288630.db2.gz KGOAMMKJVQZGLF-UHFFFAOYSA-N -1 0 487.512 5.408 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1sc2ccccc2c1Cl ZINC000002745955 554323758 /nfs/dbraw/zinc/32/37/58/554323758.db2.gz AHRNPUCOGRFJDT-UHFFFAOYSA-N -1 0 494.985 5.551 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002759616 554330911 /nfs/dbraw/zinc/33/09/11/554330911.db2.gz VOHSMKCPQCVCFX-MOPGFXCFSA-N -1 0 469.603 5.803 50 0 JKAARM O=C([O-])c1ccc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cc1 ZINC000002759876 554331098 /nfs/dbraw/zinc/33/10/98/554331098.db2.gz DKQCRKODTOGKEL-UHFFFAOYSA-N -1 0 461.315 5.293 50 0 JKAARM CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3ccc(C(=O)[O-])cc3)c3ccccc3n2)c1 ZINC000002777334 554340172 /nfs/dbraw/zinc/34/01/72/554340172.db2.gz WRLLFFXPRBBLEJ-UHFFFAOYSA-N -1 0 499.592 5.762 50 0 JKAARM CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3ccccc3C(=O)[O-])c3ccccc3n2)c1 ZINC000002789051 554345771 /nfs/dbraw/zinc/34/57/71/554345771.db2.gz 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JKAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002973892 554414455 /nfs/dbraw/zinc/41/44/55/554414455.db2.gz VDHWECXYFBGFEO-UHFFFAOYSA-N -1 0 494.842 5.352 50 0 JKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc(Br)cc1Cl ZINC000003085966 554425752 /nfs/dbraw/zinc/42/57/52/554425752.db2.gz PSMFEWMFOZFUSM-UHFFFAOYSA-N -1 0 492.367 6.667 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000003144206 554426987 /nfs/dbraw/zinc/42/69/87/554426987.db2.gz BRIWSNIWSPFJQD-UHFFFAOYSA-N -1 0 450.494 5.408 50 0 JKAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1Cl)N1CCc2ccccc2C1 ZINC000003229434 554434283 /nfs/dbraw/zinc/43/42/83/554434283.db2.gz FLMXTEAQSZAKLG-UHFFFAOYSA-N -1 0 495.815 5.646 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)c1C ZINC000003231481 554434600 /nfs/dbraw/zinc/43/46/00/554434600.db2.gz LEUYOPQTMORQSL-UHFFFAOYSA-N -1 0 463.515 5.137 50 0 JKAARM COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)[O-])cc4)c(N)c32)cc1 ZINC000003278299 554441482 /nfs/dbraw/zinc/44/14/82/554441482.db2.gz MDXKZZCYIBZSPH-UHFFFAOYSA-N -1 0 495.560 6.172 50 0 JKAARM Cc1cc2nc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c(Nc3ccccc3)nc2cc1C ZINC000003283141 554442407 /nfs/dbraw/zinc/44/24/07/554442407.db2.gz QKZGAMAOJOPGPF-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000003328272 554452191 /nfs/dbraw/zinc/45/21/91/554452191.db2.gz WLYVWNZBAKEUBB-UHFFFAOYSA-N -1 0 458.952 5.092 50 0 JKAARM Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3[O-])cn(-c3ccc(C)cc3)c2=O)cc1 ZINC000003361543 554458593 /nfs/dbraw/zinc/45/85/93/554458593.db2.gz CFUGETSTXCIBNS-UHFFFAOYSA-N -1 0 472.928 5.297 50 0 JKAARM Cc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)c1 ZINC000003632167 554469077 /nfs/dbraw/zinc/46/90/77/554469077.db2.gz FMGQEKAUZFYSAD-UHFFFAOYSA-N -1 0 480.387 5.057 50 0 JKAARM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006017205 554499730 /nfs/dbraw/zinc/49/97/30/554499730.db2.gz BEHYGSJDWJNPTA-UHFFFAOYSA-N -1 0 486.528 5.422 50 0 JKAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000006141849 554508477 /nfs/dbraw/zinc/50/84/77/554508477.db2.gz QCUANKROEAUDFV-LBPRGKRZSA-N -1 0 499.397 5.040 50 0 JKAARM O=C(Nc1cccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006147275 554511069 /nfs/dbraw/zinc/51/10/69/554511069.db2.gz BLSAUQJTRYBJKJ-UHFFFAOYSA-N -1 0 481.371 5.655 50 0 JKAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1 ZINC000006812411 554558019 /nfs/dbraw/zinc/55/80/19/554558019.db2.gz FSWYRLDCYUORIK-RGVLZGJSSA-N -1 0 496.928 5.282 50 0 JKAARM CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008426228 554581154 /nfs/dbraw/zinc/58/11/54/554581154.db2.gz XZGSVLRDJZLLAV-NMWGTECJSA-N -1 0 486.669 5.627 50 0 JKAARM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)c4ccccc34)c2C(=O)C1 ZINC000008438985 554590243 /nfs/dbraw/zinc/59/02/43/554590243.db2.gz 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5.575 50 0 JKAARM CCCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008836434 554736308 /nfs/dbraw/zinc/73/63/08/554736308.db2.gz BVDSFGDUKSFTSU-UHFFFAOYSA-N -1 0 494.548 5.270 50 0 JKAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000008836416 554736339 /nfs/dbraw/zinc/73/63/39/554736339.db2.gz GSQROMJOZNHPJE-UHFFFAOYSA-N -1 0 484.965 5.153 50 0 JKAARM COc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2c1 ZINC000008847676 554746069 /nfs/dbraw/zinc/74/60/69/554746069.db2.gz DZQOSKSANLNGQO-RMLRFSFXSA-N -1 0 483.549 5.537 50 0 JKAARM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000008857268 554753585 /nfs/dbraw/zinc/75/35/85/554753585.db2.gz KASLOVBYQNWTCJ-LJQANCHMSA-N -1 0 486.881 5.403 50 0 JKAARM CCC(C)(C)[C@@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000008870419 554765430 /nfs/dbraw/zinc/76/54/30/554765430.db2.gz PPOSJIFTJHNCCX-LJQANCHMSA-N -1 0 462.615 6.631 50 0 JKAARM 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Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009057101 554876323 /nfs/dbraw/zinc/87/63/23/554876323.db2.gz DVSLBDAAWVEUTF-LEAFIULHSA-N -1 0 472.516 5.225 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009075997 554887214 /nfs/dbraw/zinc/88/72/14/554887214.db2.gz RXXCHODPTODWQX-QYDYLWNGSA-N -1 0 490.559 5.377 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009096992 554895804 /nfs/dbraw/zinc/89/58/04/554895804.db2.gz USBJDUDSXWHMSZ-QHCPKHFHSA-N -1 0 484.581 5.533 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009096993 554895915 /nfs/dbraw/zinc/89/59/15/554895915.db2.gz USBJDUDSXWHMSZ-HSZRJFAPSA-N -1 0 484.581 5.533 50 0 JKAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000009113600 554900707 /nfs/dbraw/zinc/90/07/07/554900707.db2.gz MFCZYPUWKIUORD-DHZHZOJOSA-N -1 0 485.009 5.620 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c(C(=O)[O-])c1OC ZINC000009215735 554983403 /nfs/dbraw/zinc/98/34/03/554983403.db2.gz IYFAHPNSDSFLCK-NEKDWFFYSA-N -1 0 480.520 5.798 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 ZINC000009225143 554997306 /nfs/dbraw/zinc/99/73/06/554997306.db2.gz ZPDGRQVPZNJTFY-UHFFFAOYSA-N -1 0 454.935 5.162 50 0 JKAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000009228279 555001910 /nfs/dbraw/zinc/00/19/10/555001910.db2.gz CPUDCCCSSLJIBE-UHFFFAOYSA-N -1 0 455.580 5.004 50 0 JKAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c([O-])c(Br)c3)C2=O)cc1C ZINC000009260868 555035723 /nfs/dbraw/zinc/03/57/23/555035723.db2.gz JMCKRQKUMOJQOY-LZYBPNLTSA-N -1 0 495.782 5.100 50 0 JKAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000009261238 555036413 /nfs/dbraw/zinc/03/64/13/555036413.db2.gz GMCNHWKFYISKAZ-VCHYOVAHSA-N -1 0 457.269 5.045 50 0 JKAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000009278497 555049276 /nfs/dbraw/zinc/04/92/76/555049276.db2.gz YTQPNVBLSAXVDG-UHFFFAOYSA-N -1 0 469.897 5.831 50 0 JKAARM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccccc1Br ZINC000009288344 555062244 /nfs/dbraw/zinc/06/22/44/555062244.db2.gz PKMAMKHYYYKTRA-UHFFFAOYSA-N -1 0 492.167 5.081 50 0 JKAARM CN(Cc1nc2ccccc2s1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009319890 555094570 /nfs/dbraw/zinc/09/45/70/555094570.db2.gz OBJIPCNXRPKOEU-UHFFFAOYSA-N -1 0 478.020 5.084 50 0 JKAARM COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000009323297 555096522 /nfs/dbraw/zinc/09/65/22/555096522.db2.gz NEZOFHZVDBCJDU-OEAKJJBVSA-N -1 0 481.570 5.589 50 0 JKAARM CSc1cccc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)nc21 ZINC000009325761 555097327 /nfs/dbraw/zinc/09/73/27/555097327.db2.gz MMADXOVYMIPPAD-UHFFFAOYSA-N -1 0 469.613 5.380 50 0 JKAARM O=C(C=Cc1ccc(-c2ccccc2)s1)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000009337390 555105198 /nfs/dbraw/zinc/10/51/98/555105198.db2.gz CONFMRUZMBWKIP-WYMLVPIESA-N -1 0 483.618 5.955 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000009354778 555119212 /nfs/dbraw/zinc/11/92/12/555119212.db2.gz SRPGHYPJCUBTKB-UHFFFAOYSA-N -1 0 473.579 5.811 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000009361134 555123942 /nfs/dbraw/zinc/12/39/42/555123942.db2.gz QVNMYABDGIZNHE-UHFFFAOYSA-N -1 0 488.491 5.690 50 0 JKAARM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009367416 555129482 /nfs/dbraw/zinc/12/94/82/555129482.db2.gz WGAJBUSOZKGBFM-UHFFFAOYSA-N -1 0 491.594 5.213 50 0 JKAARM O=S(=O)([N-]c1ccc(Oc2ccc(Br)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000009371578 555133451 /nfs/dbraw/zinc/13/34/51/555133451.db2.gz VRRRXXGZUPTCJC-UHFFFAOYSA-N -1 0 473.175 6.349 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000009378613 555140372 /nfs/dbraw/zinc/14/03/72/555140372.db2.gz LMBOOACMMZJBGJ-UHFFFAOYSA-N -1 0 479.421 5.336 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=S)Nc3cc(C)cc(C)c3)ccc2OC)cc1 ZINC000009403837 555161900 /nfs/dbraw/zinc/16/19/00/555161900.db2.gz FCQRBTKHRSBEPC-UHFFFAOYSA-N -1 0 485.631 5.320 50 0 JKAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](Cc3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000009404596 555163107 /nfs/dbraw/zinc/16/31/07/555163107.db2.gz FFKBTXBIRJROGS-NRFANRHFSA-N -1 0 463.965 5.308 50 0 JKAARM CCc1ccc(-c2[nH]nc3nc(-c4cc(Br)ccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000009406690 555167407 /nfs/dbraw/zinc/16/74/07/555167407.db2.gz ZTNNFPWBSPRNAC-UHFFFAOYSA-N -1 0 452.308 5.324 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@@H](c2cccc(O)c2)Sc2ccccc2N1 ZINC000009419251 555186272 /nfs/dbraw/zinc/18/62/72/555186272.db2.gz DFIRGFXEWFQNMF-NNWMPZTLSA-N -1 0 491.956 5.232 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@H](c2cccc(O)c2)Sc2ccccc2N1 ZINC000009419250 555186310 /nfs/dbraw/zinc/18/63/10/555186310.db2.gz DFIRGFXEWFQNMF-DQVIVYRFSA-N -1 0 491.956 5.232 50 0 JKAARM Cc1ccnc(O[C@@H](C(=O)[O-])[C@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009434697 555205783 /nfs/dbraw/zinc/20/57/83/555205783.db2.gz XEIWZNDIXNFDDV-IGKIAQTJSA-N -1 0 474.557 5.633 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529544 555323761 /nfs/dbraw/zinc/32/37/61/555323761.db2.gz XIPADEDBMRCHMM-UHFFFAOYSA-N -1 0 494.661 5.847 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)Nc2ccc(OC(F)F)cc2)ccc1C ZINC000009540585 555333607 /nfs/dbraw/zinc/33/36/07/555333607.db2.gz MTLTUFMCMKPVTC-UHFFFAOYSA-N -1 0 493.557 5.215 50 0 JKAARM CCCO[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000013138475 555335539 /nfs/dbraw/zinc/33/55/39/555335539.db2.gz KAQLBFOQIMVWFJ-URXFXBBRSA-N -1 0 474.479 5.315 50 0 JKAARM COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000013138817 555336013 /nfs/dbraw/zinc/33/60/13/555336013.db2.gz FKTNVUAUDWJLBQ-UHFFFAOYSA-N -1 0 484.577 5.628 50 0 JKAARM O=C(Nc1ccc2c(c1)OCCCO2)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009634247 555339128 /nfs/dbraw/zinc/33/91/28/555339128.db2.gz DFOBQKBHWIMITL-UHFFFAOYSA-N -1 0 493.368 5.208 50 0 JKAARM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000013145932 555344078 /nfs/dbraw/zinc/34/40/78/555344078.db2.gz UVSUCGGWIZUOEW-UHFFFAOYSA-N -1 0 490.393 6.094 50 0 JKAARM O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000013148164 555348474 /nfs/dbraw/zinc/34/84/74/555348474.db2.gz NZJXIRUKHZOACM-UHFFFAOYSA-N -1 0 469.187 6.865 50 0 JKAARM Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000009557665 555351641 /nfs/dbraw/zinc/35/16/41/555351641.db2.gz AFNMNALKLOHSHO-QFIPXVFZSA-N -1 0 477.977 5.097 50 0 JKAARM CC(C)c1ccc(Oc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013150283 555355318 /nfs/dbraw/zinc/35/53/18/555355318.db2.gz UKCAAGXWKLMSAF-UHFFFAOYSA-N -1 0 453.951 6.000 50 0 JKAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCC(C)CC1)nc3-c1ccc(C(C)C)cc1 ZINC000009560312 555356483 /nfs/dbraw/zinc/35/64/83/555356483.db2.gz DOCGIXCDOQWIDC-UHFFFAOYSA-N -1 0 486.620 5.333 50 0 JKAARM COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009646119 555359148 /nfs/dbraw/zinc/35/91/48/555359148.db2.gz UNIMUMKLSROPQO-UHFFFAOYSA-N -1 0 495.782 5.164 50 0 JKAARM Cc1ccnc(O[C@H](C(=O)[O-])C(OCc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000009659645 555363067 /nfs/dbraw/zinc/36/30/67/555363067.db2.gz CMPQWRDNJUNPST-XMMPIXPASA-N -1 0 476.479 5.056 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000009660252 555363893 /nfs/dbraw/zinc/36/38/93/555363893.db2.gz QWDHLTWAAVZDIR-AREMUKBSSA-N -1 0 468.553 5.129 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCCSc2ccccc2)c1 ZINC000009661864 555366368 /nfs/dbraw/zinc/36/63/68/555366368.db2.gz NXCJARUEZJOENS-UHFFFAOYSA-N -1 0 456.589 5.007 50 0 JKAARM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3OC)cc2)n1 ZINC000009572559 555369755 /nfs/dbraw/zinc/36/97/55/555369755.db2.gz RQWSRHIMWQWJPB-UHFFFAOYSA-N -1 0 497.665 5.482 50 0 JKAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)cc1C ZINC000013346759 555377284 /nfs/dbraw/zinc/37/72/84/555377284.db2.gz MAOYQIUXFLIODL-UHFFFAOYSA-N -1 0 451.573 5.339 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccccc4Cl)ccc3s2)cc1 ZINC000013347443 555377572 /nfs/dbraw/zinc/37/75/72/555377572.db2.gz BYRARIUGVXUFGH-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cccc(Cl)c4C)ccc3s2)cc1 ZINC000013347508 555377619 /nfs/dbraw/zinc/37/76/19/555377619.db2.gz OEGIRNHTMZZJFQ-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM COc1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000013347429 555377654 /nfs/dbraw/zinc/37/76/54/555377654.db2.gz CUYLTZLVYGWKEM-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cc(C)ccc4C)ccc3s2)cc1 ZINC000013347471 555377703 /nfs/dbraw/zinc/37/77/03/555377703.db2.gz YUTRGZWFGLNCAM-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cc(F)ccc4F)ccc3s2)cc1 ZINC000013347547 555377876 /nfs/dbraw/zinc/37/78/76/555377876.db2.gz GZKRNNLAERBDLW-UHFFFAOYSA-N -1 0 474.514 5.328 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3s2)cc1 ZINC000013348940 555378562 /nfs/dbraw/zinc/37/85/62/555378562.db2.gz GHOQLFKJGFLZFI-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM COc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000013348919 555378550 /nfs/dbraw/zinc/37/85/50/555378550.db2.gz HANDYNLWDPORHO-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c(OC)c1 ZINC000013349036 555378907 /nfs/dbraw/zinc/37/89/07/555378907.db2.gz GBWJCHYAIWDHNV-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM CSc1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000013349297 555379159 /nfs/dbraw/zinc/37/91/59/555379159.db2.gz XMRRPJZXNIPNCL-UHFFFAOYSA-N -1 0 470.601 5.463 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4cccc(C)c4)cc3C)s2)cc1 ZINC000013349197 555379233 /nfs/dbraw/zinc/37/92/33/555379233.db2.gz MNSRANGXEZTIEC-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM COc1ccccc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349139 555379259 /nfs/dbraw/zinc/37/92/59/555379259.db2.gz PVKJRDHKDMTWKK-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4cccc(C)c4C)cc3C)s2)cc1 ZINC000013349169 555379312 /nfs/dbraw/zinc/37/93/12/555379312.db2.gz HNUPKRCWCNLYKW-UHFFFAOYSA-N -1 0 480.615 5.975 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1F ZINC000013349417 555379546 /nfs/dbraw/zinc/37/95/46/555379546.db2.gz HRGUGCWOQFCFIV-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM COc1cc(NC(=O)Nc2ccc(F)cc2F)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349548 555379861 /nfs/dbraw/zinc/37/98/61/555379861.db2.gz BEMSRKKUGNGUMS-UHFFFAOYSA-N -1 0 490.513 5.028 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nc(-c3ccc(C)cc3)co2)c1 ZINC000013359167 555385467 /nfs/dbraw/zinc/38/54/67/555385467.db2.gz HWVKDDXLLUWPPR-UHFFFAOYSA-N -1 0 454.935 5.780 50 0 JKAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1cccc(C(F)(F)F)c1 ZINC000013361396 555387043 /nfs/dbraw/zinc/38/70/43/555387043.db2.gz AUGRMJHHRXBMNZ-UHFFFAOYSA-N -1 0 492.504 5.760 50 0 JKAARM O=c1[nH]c2c(sc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c32)c([O-])c1Br ZINC000013401807 555395965 /nfs/dbraw/zinc/39/59/65/555395965.db2.gz MVUPAJODPCFXDM-UHFFFAOYSA-N -1 0 483.774 6.593 50 0 JKAARM O=C([O-])c1cc(Cl)c(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000013423513 555397468 /nfs/dbraw/zinc/39/74/68/555397468.db2.gz AKSFWJGJVLRYAJ-UHFFFAOYSA-N -1 0 478.372 5.661 50 0 JKAARM CC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000009589082 555402116 /nfs/dbraw/zinc/40/21/16/555402116.db2.gz IXOHTILRSTYTEK-UHFFFAOYSA-N -1 0 493.368 5.014 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009679533 555406426 /nfs/dbraw/zinc/40/64/26/555406426.db2.gz SUIHTGIPJBUETA-RUZDIDTESA-N -1 0 469.541 5.894 50 0 JKAARM CN(C(=O)C(=C([O-])c1ccc(Cl)cc1Cl)n1cc(Cl)ccc1=O)C1CCCCC1 ZINC000009601243 555425762 /nfs/dbraw/zinc/42/57/62/555425762.db2.gz FNDNVYWTPYRIID-LJQANCHMSA-N -1 0 455.769 5.024 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(C(C)C)cc4)cs3)cc2)no1 ZINC000009601661 555426664 /nfs/dbraw/zinc/42/66/64/555426664.db2.gz CTANDKATJXMQMB-UHFFFAOYSA-N -1 0 454.577 5.774 50 0 JKAARM Cc1ccc(C)c(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)c1 ZINC000009601662 555426704 /nfs/dbraw/zinc/42/67/04/555426704.db2.gz JITMBHVWDFUECG-UHFFFAOYSA-N -1 0 465.604 5.378 50 0 JKAARM O=C([O-])CSc1c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2nc2c1CCCC2 ZINC000009611657 555444045 /nfs/dbraw/zinc/44/40/45/555444045.db2.gz MZKNFTAWOKVNRP-UHFFFAOYSA-N -1 0 484.577 6.335 50 0 JKAARM CN(C)c1ccc(/C=C/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000009720921 555452778 /nfs/dbraw/zinc/45/27/78/555452778.db2.gz CDSVYHLVHOHWFP-HYABJVGKSA-N -1 0 483.593 5.811 50 0 JKAARM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)s1 ZINC000013522523 555486230 /nfs/dbraw/zinc/48/62/30/555486230.db2.gz IYCADEOIURSKGO-UHFFFAOYSA-N -1 0 496.941 5.022 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1CO[C@H]([C@@H](C)C(=O)[O-])C[C@@H]1C ZINC000009762247 555487417 /nfs/dbraw/zinc/48/74/17/555487417.db2.gz PFAGZEWYROFOAJ-GRKYNUQQSA-N -1 0 465.634 6.070 50 0 JKAARM COc1ccc(NC(=O)C(C)(C)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1Cl ZINC000013578778 555517094 /nfs/dbraw/zinc/51/70/94/555517094.db2.gz DNSOIYKXADKDMZ-UHFFFAOYSA-N -1 0 498.988 5.809 50 0 JKAARM COc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)c2)cc1 ZINC000019862809 555520779 /nfs/dbraw/zinc/52/07/79/555520779.db2.gz JTJMGJKYMSRFFR-UHFFFAOYSA-N -1 0 494.547 5.600 50 0 JKAARM C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000013618618 555537202 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Cc1ccc([P@@](=Nc2ccccc2C(=O)[O-])(N2CCN(c3ccccc3F)CC2)C(C)(C)C)o1 ZINC000012524347 555993502 /nfs/dbraw/zinc/99/35/02/555993502.db2.gz NYKWEMQTAYRBBF-UUWRZZSWSA-N -1 0 483.524 6.119 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C3\CCc4c3nc3ccccc3c4C(=O)[O-])cc2OC)cc1 ZINC000012529260 555998706 /nfs/dbraw/zinc/99/87/06/555998706.db2.gz GIMXDXSKJBNWBE-RCCKNPSSSA-N -1 0 495.531 5.794 50 0 JKAARM O=C(CCOc1ccccc1F)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012531013 556000957 /nfs/dbraw/zinc/00/09/57/556000957.db2.gz RGARYHQEOLQPLW-UHFFFAOYSA-N -1 0 483.348 5.341 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000023112065 556011266 /nfs/dbraw/zinc/01/12/66/556011266.db2.gz AYPLSQLSPQOIJZ-UHFFFAOYSA-N -1 0 477.007 5.016 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1C ZINC000012541686 556015825 /nfs/dbraw/zinc/01/58/25/556015825.db2.gz KYBPREGNIZQNGS-UHFFFAOYSA-N -1 0 477.586 5.247 50 0 JKAARM C[C@@H]1Cc2cc(-c3cc(C(=O)[N-]c4c5ccccc5oc4C(=O)c4ccc(Cl)cc4)no3)ccc2O1 ZINC000015833073 556018795 /nfs/dbraw/zinc/01/87/95/556018795.db2.gz MBFIFEPGKWWWRU-OAHLLOKOSA-N -1 0 498.922 6.548 50 0 JKAARM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000012544758 556020788 /nfs/dbraw/zinc/02/07/88/556020788.db2.gz IIGGPKQBVGUGNA-UHFFFAOYSA-N -1 0 451.426 5.030 50 0 JKAARM COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000012546668 556022939 /nfs/dbraw/zinc/02/29/39/556022939.db2.gz RQIMLQIVFKAIJT-UHFFFAOYSA-N -1 0 495.022 5.074 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157217 556025493 /nfs/dbraw/zinc/02/54/93/556025493.db2.gz DTCPAPUQYPGWND-QFIPXVFZSA-N -1 0 482.053 5.493 50 0 JKAARM CC(=O)c1cccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(C)cc4)c3=O)nc2C)c1 ZINC000015858747 556025867 /nfs/dbraw/zinc/02/58/67/556025867.db2.gz GSXYIOVBTILKFY-UHFFFAOYSA-N -1 0 460.559 5.005 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)Nc1ccc(Cl)cc1 ZINC000015858749 556025879 /nfs/dbraw/zinc/02/58/79/556025879.db2.gz ANRIGLGBJUKSSL-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)Nc1cccc(Cl)c1 ZINC000015858746 556025967 /nfs/dbraw/zinc/02/59/67/556025967.db2.gz CQVGCEHOLWWMJC-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(Br)cc1 ZINC000015858775 556025989 /nfs/dbraw/zinc/02/59/89/556025989.db2.gz ICIPRHAYXMORLD-UHFFFAOYSA-N -1 0 497.418 5.652 50 0 JKAARM CCOc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)cc1 ZINC000015858755 556026023 /nfs/dbraw/zinc/02/60/23/556026023.db2.gz ZDZYCNYSHOXDIE-UHFFFAOYSA-N -1 0 482.993 5.546 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1c(C)cccc1C ZINC000015858789 556026047 /nfs/dbraw/zinc/02/60/47/556026047.db2.gz JRXNWEMRGOHJIZ-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM Cc1ccccc1CSCc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)o1 ZINC000015862010 556034581 /nfs/dbraw/zinc/03/45/81/556034581.db2.gz MXFDUGIVPNPBJA-UHFFFAOYSA-N -1 0 487.628 5.255 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccc(F)cc4)cc3C)s2)cc1 ZINC000015862058 556034808 /nfs/dbraw/zinc/03/48/08/556034808.db2.gz GJGXKOPIQYQESJ-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccc(C)c(F)c4)cc3C)s2)cc1 ZINC000015862066 556034851 /nfs/dbraw/zinc/03/48/51/556034851.db2.gz SKNJXYJKONRCGA-UHFFFAOYSA-N -1 0 469.563 5.414 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccc(Br)c1 ZINC000015862109 556035239 /nfs/dbraw/zinc/03/52/39/556035239.db2.gz LEKXPEXQMFQNQF-UHFFFAOYSA-N -1 0 488.388 5.112 50 0 JKAARM Cc1ccc(C(C)(C)C)c(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1 ZINC000015862902 556036152 /nfs/dbraw/zinc/03/61/52/556036152.db2.gz YFSNQNUOAHVJLF-UHFFFAOYSA-N -1 0 482.993 5.042 50 0 JKAARM CN(Cc1ccccc1Cl)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000012554338 556038528 /nfs/dbraw/zinc/03/85/28/556038528.db2.gz XGKPSHOPGQZIJU-UHFFFAOYSA-N -1 0 463.990 5.227 50 0 JKAARM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000015870776 556050878 /nfs/dbraw/zinc/05/08/78/556050878.db2.gz HYIOZUPSHDAJKK-UHFFFAOYSA-N -1 0 455.530 5.311 50 0 JKAARM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000015870783 556050999 /nfs/dbraw/zinc/05/09/99/556050999.db2.gz OJINFWTVHYPESF-UHFFFAOYSA-N -1 0 455.530 5.311 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c(C)c1 ZINC000015911104 556064833 /nfs/dbraw/zinc/06/48/33/556064833.db2.gz RIEJKSQMPLLIRC-UHFFFAOYSA-N -1 0 474.630 6.397 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015911122 556065098 /nfs/dbraw/zinc/06/50/98/556065098.db2.gz NDLAWGKHTDCNTI-MRXNPFEDSA-N -1 0 464.566 6.135 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 ZINC000015911226 556065152 /nfs/dbraw/zinc/06/51/52/556065152.db2.gz CFDWLXZGBHUKLD-UHFFFAOYSA-N -1 0 477.348 5.929 50 0 JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015911124 556065168 /nfs/dbraw/zinc/06/51/68/556065168.db2.gz NDLAWGKHTDCNTI-INIZCTEOSA-N -1 0 464.566 6.135 50 0 JKAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1 ZINC000015911161 556065198 /nfs/dbraw/zinc/06/51/98/556065198.db2.gz OSRLJSMJNWQPKF-UHFFFAOYSA-N -1 0 481.021 6.434 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000015911198 556065209 /nfs/dbraw/zinc/06/52/09/556065209.db2.gz AUFRATZFBPNRRJ-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1C ZINC000015913527 556066113 /nfs/dbraw/zinc/06/61/13/556066113.db2.gz ZXBNNQLFQHZCHF-UHFFFAOYSA-N -1 0 479.385 5.292 50 0 JKAARM O=C([O-])c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 ZINC000015953269 556087102 /nfs/dbraw/zinc/08/71/02/556087102.db2.gz UIBGAZZSQZORDP-UHFFFAOYSA-N -1 0 484.375 5.047 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2cccc(C)c2)cc1OC ZINC000015962302 556093106 /nfs/dbraw/zinc/09/31/06/556093106.db2.gz DBGRUYGTATVMIO-UHFFFAOYSA-N -1 0 450.560 5.110 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(\CC(=O)[O-])c3nc4ccccc4s3)cc2)cc1 ZINC000012659633 556100469 /nfs/dbraw/zinc/10/04/69/556100469.db2.gz QZHWFJAFLDPYJN-XSFVSMFZSA-N -1 0 459.523 5.677 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000012661119 556101074 /nfs/dbraw/zinc/10/10/74/556101074.db2.gz RXRYPKODTJHOKM-RLWLMLJZSA-N -1 0 458.514 5.261 50 0 biogenic JKAARM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012788486 556112941 /nfs/dbraw/zinc/11/29/41/556112941.db2.gz JHWJISGMRNNOHQ-FQEVSTJZSA-N -1 0 491.432 5.193 50 0 JKAARM Cc1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000016035580 556118896 /nfs/dbraw/zinc/11/88/96/556118896.db2.gz KNFNJMHFVORPMV-UHFFFAOYSA-N -1 0 458.967 5.084 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000016154385 556127103 /nfs/dbraw/zinc/12/71/03/556127103.db2.gz YFMPYWHTUDEZSW-UHFFFAOYSA-N -1 0 478.393 5.025 50 0 JKAARM CN(Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025053282 556175420 /nfs/dbraw/zinc/17/54/20/556175420.db2.gz SUIWWBLWQZVXDE-UHFFFAOYSA-N -1 0 453.951 5.121 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 ZINC000016955711 556186810 /nfs/dbraw/zinc/18/68/10/556186810.db2.gz YTRALIHMJMPALA-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(Cl)cc2)c1 ZINC000016955736 556186913 /nfs/dbraw/zinc/18/69/13/556186913.db2.gz JWXWHWRDCPIQKM-UHFFFAOYSA-N -1 0 452.967 5.313 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017051029 556211937 /nfs/dbraw/zinc/21/19/37/556211937.db2.gz YNSHKGWIBZYEMK-UHFFFAOYSA-N -1 0 499.617 6.325 50 0 JKAARM CSc1nc2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc2s1 ZINC000017051026 556212038 /nfs/dbraw/zinc/21/20/38/556212038.db2.gz ODZXTZCSBNGYMR-UHFFFAOYSA-N -1 0 469.613 5.380 50 0 JKAARM C[C@@H](CNC(=O)CC(C)(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1)CSc1ccc(Cl)cc1 ZINC000017113776 556218586 /nfs/dbraw/zinc/21/85/86/556218586.db2.gz QQNYMODFTAANJN-INIZCTEOSA-N -1 0 494.082 5.013 50 0 JKAARM COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000013026726 556219236 /nfs/dbraw/zinc/21/92/36/556219236.db2.gz VFNMAJKGZNXTPW-UHFFFAOYSA-N -1 0 490.556 5.406 50 0 JKAARM Cc1ccccc1-n1c2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)[n-]c(=O)c2sc1=S ZINC000017143735 556225381 /nfs/dbraw/zinc/22/53/81/556225381.db2.gz WEQJAVXVYDXHSZ-INIZCTEOSA-N -1 0 496.683 5.043 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000025629239 556228153 /nfs/dbraw/zinc/22/81/53/556228153.db2.gz KKFVLVJTNDFPHI-QPXUXIHVSA-N -1 0 480.690 5.128 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000017156623 556229446 /nfs/dbraw/zinc/22/94/46/556229446.db2.gz JKLKVKJAECPOIJ-UHFFFAOYSA-N -1 0 482.915 5.217 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000017156627 556229453 /nfs/dbraw/zinc/22/94/53/556229453.db2.gz DNUNIWPLNHNOAV-UHFFFAOYSA-N -1 0 496.942 5.607 50 0 JKAARM O=C1C[C@@H](c2ccccc2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000017198377 556239156 /nfs/dbraw/zinc/23/91/56/556239156.db2.gz ZPDSSYWRIVKGJA-IBGZPJMESA-N -1 0 477.955 6.397 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000017205951 556240451 /nfs/dbraw/zinc/24/04/51/556240451.db2.gz BRGFIWBKRUZAMG-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000017206059 556240790 /nfs/dbraw/zinc/24/07/90/556240790.db2.gz DQPPDFYZROJOTB-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000017208045 556241071 /nfs/dbraw/zinc/24/10/71/556241071.db2.gz DGZANKJEZGICNP-UHFFFAOYSA-N -1 0 496.873 5.986 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000017207340 556241122 /nfs/dbraw/zinc/24/11/22/556241122.db2.gz LZAKTCUMWBSYFE-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl)c1cccs1 ZINC000017209173 556241453 /nfs/dbraw/zinc/24/14/53/556241453.db2.gz JZXAZGFNPRMQHF-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000017209237 556241511 /nfs/dbraw/zinc/24/15/11/556241511.db2.gz LETWOOBTYSQLFN-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4C(F)(F)F)cc3)nn2)CC1 ZINC000017246095 556246168 /nfs/dbraw/zinc/24/61/68/556246168.db2.gz HNALKKVXMANNCI-UHFFFAOYSA-N -1 0 476.524 5.200 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000017247013 556247102 /nfs/dbraw/zinc/24/71/02/556247102.db2.gz NAJIDCPNRQJBGV-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000017247208 556247189 /nfs/dbraw/zinc/24/71/89/556247189.db2.gz GXQHRIMIMJDHEH-UHFFFAOYSA-N -1 0 474.464 5.381 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000017249189 556247476 /nfs/dbraw/zinc/24/74/76/556247476.db2.gz JJHSTCVZNRKSGM-UHFFFAOYSA-N -1 0 478.427 5.212 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000017248925 556247610 /nfs/dbraw/zinc/24/76/10/556247610.db2.gz CISIFOQKSBYWHL-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2Cl)cc1C ZINC000017249612 556247795 /nfs/dbraw/zinc/24/77/95/556247795.db2.gz GBZHHHSAEHANCU-UHFFFAOYSA-N -1 0 452.967 5.313 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)c(C)c2)c1 ZINC000017250526 556247906 /nfs/dbraw/zinc/24/79/06/556247906.db2.gz DFZVAIQFBXADLN-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000017249943 556247916 /nfs/dbraw/zinc/24/79/16/556247916.db2.gz FEBMDAZBEZSJIT-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Br)c1)c1ccc(F)cc1 ZINC000017252679 556248293 /nfs/dbraw/zinc/24/82/93/556248293.db2.gz JFOVGGHTDGTCIL-UHFFFAOYSA-N -1 0 473.327 5.076 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2Cl)cc1 ZINC000017251599 556248317 /nfs/dbraw/zinc/24/83/17/556248317.db2.gz CQEJAAHILSNNHK-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000017315621 556257808 /nfs/dbraw/zinc/25/78/08/556257808.db2.gz DVBQZXAWRUYYLG-UHFFFAOYSA-N -1 0 494.661 5.847 50 0 JKAARM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018031680 556277904 /nfs/dbraw/zinc/27/79/04/556277904.db2.gz ILOGOOOAUQKWMJ-ZRBLBEILSA-N -1 0 477.358 5.063 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 ZINC000027582566 556300097 /nfs/dbraw/zinc/30/00/97/556300097.db2.gz YCKKCRNBRPTMLY-UHFFFAOYSA-N -1 0 465.509 6.518 50 0 JKAARM Cc1cccc(CSc2nnc([N-]C(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)s2)c1 ZINC000027989780 556311755 /nfs/dbraw/zinc/31/17/55/556311755.db2.gz OWJVAGOROLPCCP-UHFFFAOYSA-N -1 0 462.600 5.925 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 ZINC000028286905 556327666 /nfs/dbraw/zinc/32/76/66/556327666.db2.gz OLNFECHHILEQOW-QGZVFWFLSA-N -1 0 493.519 6.224 50 0 JKAARM O=C([N-]c1nc(-c2ccc(Br)o2)ns1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000028293768 556329653 /nfs/dbraw/zinc/32/96/53/556329653.db2.gz ATMSSTJLDHVZEI-UHFFFAOYSA-N -1 0 471.336 5.347 50 0 JKAARM CCc1cc2c(=O)c(Oc3ccc(I)cc3)c(C(F)(F)F)oc2cc1[O-] ZINC000019800100 556377290 /nfs/dbraw/zinc/37/72/90/556377290.db2.gz KDFYFRXUDFQCAR-UHFFFAOYSA-N -1 0 476.188 5.477 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000067912745 560049410 /nfs/dbraw/zinc/04/94/10/560049410.db2.gz HFGSQOYIOKBQOW-PFZDICDWSA-N -1 0 472.710 6.060 50 0 biogenic,in-vitro JKAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000001156877 562919777 /nfs/dbraw/zinc/91/97/77/562919777.db2.gz WTCOWVDNYUVILS-UHFFFAOYSA-N -1 0 471.391 5.512 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000008605274 562946685 /nfs/dbraw/zinc/94/66/85/562946685.db2.gz JSKMAZARQKNGOU-UHFFFAOYSA-N -1 0 465.980 5.281 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000008673973 562950378 /nfs/dbraw/zinc/95/03/78/562950378.db2.gz ZDJIIEWXAOCGJX-UHFFFAOYSA-N -1 0 454.457 6.327 50 0 JKAARM O=C([O-])CC/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1 ZINC000034836420 563116682 /nfs/dbraw/zinc/11/66/82/563116682.db2.gz IKRFYXITZMEOMH-VKAVYKQESA-N -1 0 462.958 6.607 50 0 JKAARM O=C([O-])CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(Oc2ccccc2)cc1 ZINC000043199998 563168476 /nfs/dbraw/zinc/16/84/76/563168476.db2.gz AVSDLGNMCGTBHT-UHFFFAOYSA-N -1 0 461.561 7.225 50 0 JKAARM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3cccnc31)c1ccccc21 ZINC000008439309 569589854 /nfs/dbraw/zinc/58/98/54/569589854.db2.gz ZLOJHUIJUBUOES-UHFFFAOYSA-N -1 0 490.537 5.047 50 0 JKAARM CCCc1oc2c(cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)c3ccccc23)c1C(=O)OCC ZINC000008439339 569589901 /nfs/dbraw/zinc/58/99/01/569589901.db2.gz XUYYJEWMPPWGDF-UHFFFAOYSA-N -1 0 481.526 5.214 50 0 JKAARM CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000008454851 569591544 /nfs/dbraw/zinc/59/15/44/569591544.db2.gz HBRNVJPGPIDHOC-YTQUADARSA-N -1 0 455.576 5.462 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)c(C(=O)[O-])c3)CC2)c1C ZINC000058058542 569601937 /nfs/dbraw/zinc/60/19/37/569601937.db2.gz HYOOZJSFHJVXGU-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)c(C(=O)[O-])c3)CC2)c1C ZINC000058058538 569602006 /nfs/dbraw/zinc/60/20/06/569602006.db2.gz FUXZUFYOLFGMKW-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962034 569602712 /nfs/dbraw/zinc/60/27/12/569602712.db2.gz KTKVMHGIBUESIR-UHFFFAOYSA-N -1 0 479.385 5.519 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2ccc(N(Cc3ccccc3)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000032962084 569602905 /nfs/dbraw/zinc/60/29/05/569602905.db2.gz ITWREDAYYNFOCN-UHFFFAOYSA-N -1 0 486.593 5.701 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000032962158 569603043 /nfs/dbraw/zinc/60/30/43/569603043.db2.gz LEKARNXCAJRFGY-UHFFFAOYSA-N -1 0 466.603 5.555 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1N1CCCCCCC1 ZINC000032962173 569603081 /nfs/dbraw/zinc/60/30/81/569603081.db2.gz BCXFNAQDXJQDLU-UHFFFAOYSA-N -1 0 470.635 6.004 50 0 JKAARM C[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Br)cc4)ccc3n2)C1 ZINC000033010295 569616701 /nfs/dbraw/zinc/61/67/01/569616701.db2.gz VKBQLSPHZGTQNX-AWEZNQCLSA-N -1 0 468.351 5.184 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5C)ccc4n3)CC2)c1C ZINC000033010341 569616714 /nfs/dbraw/zinc/61/67/14/569616714.db2.gz GCKUKWHGLUBHQZ-UHFFFAOYSA-N -1 0 494.595 5.437 50 0 JKAARM Cc1ccccc1[C@@H]1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 ZINC000033010316 569616731 /nfs/dbraw/zinc/61/67/31/569616731.db2.gz WZBRYMGLQRSYAU-LJQANCHMSA-N -1 0 485.971 6.141 50 0 JKAARM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCN(c5cccc(C)c5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010438 569616776 /nfs/dbraw/zinc/61/67/76/569616776.db2.gz RVVDTHWUMDFQGH-UHFFFAOYSA-N -1 0 494.595 5.058 50 0 JKAARM CC(C)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557963 569618437 /nfs/dbraw/zinc/61/84/37/569618437.db2.gz FBYNLPMCLQHPKE-JOCHJYFZSA-N -1 0 467.974 5.795 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cc(Br)ccc1F ZINC000064796514 569630142 /nfs/dbraw/zinc/63/01/42/569630142.db2.gz XBTANMKIGDDRHC-ZDUSSCGKSA-N -1 0 464.287 5.628 50 0 JKAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589502 569621008 /nfs/dbraw/zinc/62/10/08/569621008.db2.gz OZUWUAJZJUYIPO-UHFFFAOYSA-N -1 0 467.928 5.065 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000033078591 569621563 /nfs/dbraw/zinc/62/15/63/569621563.db2.gz BIQONQVNCNGJEV-GOSISDBHSA-N -1 0 463.965 5.314 50 0 JKAARM O=C1S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000033293721 569622413 /nfs/dbraw/zinc/62/24/13/569622413.db2.gz SYXCGECALPWAHK-VGOFMYFVSA-N -1 0 487.144 5.293 50 0 JKAARM O=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000033349389 569625000 /nfs/dbraw/zinc/62/50/00/569625000.db2.gz BBLJRHNNINEPFV-AWNIVKPZSA-N -1 0 489.572 5.812 50 0 JKAARM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000033429918 569626256 /nfs/dbraw/zinc/62/62/56/569626256.db2.gz UKXGHNWBPSNSHT-BUVRLJJBSA-N -1 0 489.549 5.599 50 0 JKAARM Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000064774731 569626999 /nfs/dbraw/zinc/62/69/99/569626999.db2.gz PZHJXASBTNTXAS-GOSISDBHSA-N -1 0 499.596 5.233 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000064774713 569627035 /nfs/dbraw/zinc/62/70/35/569627035.db2.gz USCCSDNRROWFLD-IBGZPJMESA-N -1 0 479.606 5.027 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1OC(C)C ZINC000064795834 569630037 /nfs/dbraw/zinc/63/00/37/569630037.db2.gz PHRYROUIIIHKON-MRXNPFEDSA-N -1 0 471.962 6.037 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)ccc1OC(C)C ZINC000064795732 569630063 /nfs/dbraw/zinc/63/00/63/569630063.db2.gz QYWNQLIBJFDOSD-INIZCTEOSA-N -1 0 471.962 6.037 50 0 JKAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1OC1CCCC1 ZINC000064795414 569630079 /nfs/dbraw/zinc/63/00/79/569630079.db2.gz RJQXGNYDYFAYBO-GOSISDBHSA-N -1 0 463.555 5.917 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c(OC)c1OC ZINC000064795614 569630082 /nfs/dbraw/zinc/63/00/82/569630082.db2.gz HPUWENYLWRAACZ-CQSZACIVSA-N -1 0 473.934 5.267 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC ZINC000064796413 569630131 /nfs/dbraw/zinc/63/01/31/569630131.db2.gz ZBRFNVCLRDPTNJ-KRWDZBQOSA-N -1 0 469.534 5.914 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC(C)C ZINC000064796541 569630148 /nfs/dbraw/zinc/63/01/48/569630148.db2.gz LQNOOQWFRZSNCM-KRWDZBQOSA-N -1 0 469.534 5.912 50 0 JKAARM CCCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000064796349 569630159 /nfs/dbraw/zinc/63/01/59/569630159.db2.gz OAXXQNBJRHLLPY-KRWDZBQOSA-N -1 0 469.534 5.914 50 0 JKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064796039 569630170 /nfs/dbraw/zinc/63/01/70/569630170.db2.gz FXKIIKOJESYWLL-QGZVFWFLSA-N -1 0 451.544 5.693 50 0 JKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC ZINC000064796405 569630176 /nfs/dbraw/zinc/63/01/76/569630176.db2.gz IJIBHZMMFNNLRO-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(F)c(Br)c1 ZINC000064796509 569630180 /nfs/dbraw/zinc/63/01/80/569630180.db2.gz BOPSKQCCZOGLSF-GFCCVEGCSA-N -1 0 464.287 5.628 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC ZINC000064796388 569630181 /nfs/dbraw/zinc/63/01/81/569630181.db2.gz MYVWALNCHHSXII-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OCC(C)C)c(OC)c2)CC(=O)N3)cc1 ZINC000064796969 569630242 /nfs/dbraw/zinc/63/02/42/569630242.db2.gz HSYXKVPGSCENQS-GOSISDBHSA-N -1 0 481.570 5.639 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OCC(C)C)c(OC)c2)CC(=O)N3)cc1 ZINC000064796964 569630254 /nfs/dbraw/zinc/63/02/54/569630254.db2.gz HSYXKVPGSCENQS-SFHVURJKSA-N -1 0 481.570 5.639 50 0 JKAARM CCCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC ZINC000064797175 569630340 /nfs/dbraw/zinc/63/03/40/569630340.db2.gz NJNRLWZALRPHFM-KRWDZBQOSA-N -1 0 467.543 5.393 50 0 JKAARM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797318 569630381 /nfs/dbraw/zinc/63/03/81/569630381.db2.gz HNUMCFIUYJQAAC-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cc(Br)ccc1F ZINC000064797567 569630387 /nfs/dbraw/zinc/63/03/87/569630387.db2.gz IKXBWOGEGDODLF-ZDUSSCGKSA-N -1 0 464.287 5.628 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OC(C)C ZINC000064797503 569630389 /nfs/dbraw/zinc/63/03/89/569630389.db2.gz XDXFEWVFAZTKLV-INIZCTEOSA-N -1 0 455.507 5.522 50 0 JKAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1OC(C)C ZINC000064797686 569630512 /nfs/dbraw/zinc/63/05/12/569630512.db2.gz HLDWYIGZKQPEBU-INIZCTEOSA-N -1 0 455.507 5.522 50 0 JKAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(NC2CCCCC2)n1 ZINC000064802032 569631795 /nfs/dbraw/zinc/63/17/95/569631795.db2.gz SNZMXNPDHIKFJT-UHFFFAOYSA-N -1 0 455.559 5.213 50 0 JKAARM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)n2)cc1 ZINC000064814514 569632215 /nfs/dbraw/zinc/63/22/15/569632215.db2.gz KCLCODQQDDAMHB-UHFFFAOYSA-N -1 0 481.528 5.660 50 0 JKAARM CCC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2Br)C1 ZINC000034721234 569652461 /nfs/dbraw/zinc/65/24/61/569652461.db2.gz CGGOICWGPIKSBN-MTMYEVCSSA-N -1 0 464.403 7.235 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1Cl ZINC000065060145 569655222 /nfs/dbraw/zinc/65/52/22/569655222.db2.gz WHQHADOOMCWWPK-UHFFFAOYSA-N -1 0 467.012 5.713 50 0 JKAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098112 569661814 /nfs/dbraw/zinc/66/18/14/569661814.db2.gz IAIPVBCXPVLISH-UHFFFAOYSA-N -1 0 453.879 5.198 50 0 JKAARM O=C([O-])c1cc(-n2c(=O)c3ccccc3nc2/C=C/c2cccc3ccccc23)ccc1Cl ZINC000034858371 569667648 /nfs/dbraw/zinc/66/76/48/569667648.db2.gz IGWJKQAUMJSMFA-NTCAYCPXSA-N -1 0 452.897 6.061 50 0 JKAARM COc1ccc(/C=C2\SC(=O)N(CCCCCC(=O)Nc3ccccc3C(=O)[O-])C2=S)cc1 ZINC000034869751 569668294 /nfs/dbraw/zinc/66/82/94/569668294.db2.gz KYZAEJNAKPKGDV-HKWRFOASSA-N -1 0 484.599 5.430 50 0 JKAARM COc1cc(OC)c(OC)cc1/C=C1/C[C@@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000034877781 569668630 /nfs/dbraw/zinc/66/86/30/569668630.db2.gz LJSLOSKOJSRSPV-UWKDKTGGSA-N -1 0 461.558 6.108 50 0 JKAARM O=C(c1ccc(S(=O)(=O)[O-])cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000034914577 569671737 /nfs/dbraw/zinc/67/17/37/569671737.db2.gz BVNCVADDZKIAMF-RKVPQODOSA-N -1 0 472.566 5.370 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccc(C(F)(F)F)n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000065542083 569675852 /nfs/dbraw/zinc/67/58/52/569675852.db2.gz LLIRTUDFABOFDB-UHFFFAOYSA-N -1 0 498.486 5.216 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(N)c12 ZINC000067207076 569678222 /nfs/dbraw/zinc/67/82/22/569678222.db2.gz FGOFXRROFDMXQR-UHFFFAOYSA-N -1 0 487.647 5.556 50 0 JKAARM Cc1c(C(=O)Nc2cccc(Cl)c2)sc2[n-]c(=S)n(CCc3ccccc3)c(=O)c12 ZINC000067334671 569687552 /nfs/dbraw/zinc/68/75/52/569687552.db2.gz QYRNJCFHTLDXFT-UHFFFAOYSA-N -1 0 455.992 5.577 50 0 JKAARM Cc1ccccc1C1=CCN(c2ncc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])CC1 ZINC000035397807 569688360 /nfs/dbraw/zinc/68/83/60/569688360.db2.gz JNIRPHKNHHNWFF-UHFFFAOYSA-N -1 0 498.004 5.145 50 0 JKAARM CCCC(=O)Nc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422726 569692925 /nfs/dbraw/zinc/69/29/25/569692925.db2.gz JNBUKFFNOMTFJK-MHZLTWQESA-N -1 0 492.019 5.688 50 0 JKAARM C[C@@H]1C[C@@H](C(=O)[O-])[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000070471843 569695206 /nfs/dbraw/zinc/69/52/06/569695206.db2.gz FZRIRHAXJWMMFP-UWVYDUIGSA-N -1 0 456.711 6.945 50 0 JKAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000035451194 569696702 /nfs/dbraw/zinc/69/67/02/569696702.db2.gz RNHVNISFRUINFI-UHFFFAOYSA-N -1 0 489.963 5.185 50 0 JKAARM CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000071769500 569697802 /nfs/dbraw/zinc/69/78/02/569697802.db2.gz JZFSMVXQUWRSIW-QDIOPSDKSA-N -1 0 456.711 7.234 50 0 JKAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4C)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000071924252 569699280 /nfs/dbraw/zinc/69/92/80/569699280.db2.gz HSHLNECWHZDFHD-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000071924248 569699292 /nfs/dbraw/zinc/69/92/92/569699292.db2.gz DGSHAEZJBAAFEO-DEOSSOPVSA-N -1 0 484.581 5.533 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3N[C@H](c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2)c(=O)s1 ZINC000035622407 569705518 /nfs/dbraw/zinc/70/55/18/569705518.db2.gz RTQDQQBPTMNTMW-INIZCTEOSA-N -1 0 499.470 5.459 50 0 JKAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3)C1)c2-c1ccccc1 ZINC000079047054 569706738 /nfs/dbraw/zinc/70/67/38/569706738.db2.gz WPFFQMGOEBGOPR-DEOSSOPVSA-N -1 0 479.536 5.046 50 0 JKAARM CCOc1cc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc(Br)c1OCC ZINC000085425879 569710879 /nfs/dbraw/zinc/71/08/79/569710879.db2.gz SQVXDIYEHMFLBA-LICLKQGHSA-N -1 0 491.363 5.027 50 0 JKAARM C=CCCN1C(=O)NC(=Cc2c(-c3ccc(Cl)cc3Cl)[n-]n(-c3ccccc3C)c2=O)C1=O ZINC000035829548 569712997 /nfs/dbraw/zinc/71/29/97/569712997.db2.gz RONBPJJFMVGGKQ-UYRXBGFRSA-N -1 0 483.355 5.329 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)c1C ZINC000035829501 569713116 /nfs/dbraw/zinc/71/31/16/569713116.db2.gz GVXNPLGMFXWDAT-HAHDFKILSA-N -1 0 482.515 5.094 50 0 JKAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000089457551 569718424 /nfs/dbraw/zinc/71/84/24/569718424.db2.gz ZYQXIABDZGCILG-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM CCOc1cc(CNc2cccc(C(=O)[O-])c2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000095472056 569723537 /nfs/dbraw/zinc/72/35/37/569723537.db2.gz VEPZKQYXJLMAPG-UHFFFAOYSA-N -1 0 494.802 7.243 50 0 JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(F)c(F)c3F)CC(=O)O4)c2=O)cc1 ZINC000095480029 569724637 /nfs/dbraw/zinc/72/46/37/569724637.db2.gz KZCFFJJSTJOZNF-CQSZACIVSA-N -1 0 468.383 5.033 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000095946196 569730910 /nfs/dbraw/zinc/73/09/10/569730910.db2.gz WQXXJRKVKDILAI-OAQYLSRUSA-N -1 0 469.497 5.051 50 0 JKAARM COC(=O)C[C@H](c1ccc(Br)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096113725 569732897 /nfs/dbraw/zinc/73/28/97/569732897.db2.gz AEKRXLDADGKGAT-QGZVFWFLSA-N -1 0 495.325 5.329 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114378 569733396 /nfs/dbraw/zinc/73/33/96/569733396.db2.gz WGHBXSYBQRMGOI-NRFANRHFSA-N -1 0 496.515 5.728 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(OCC(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114767 569733847 /nfs/dbraw/zinc/73/38/47/569733847.db2.gz SVQMNDKDWKIRAF-QHCPKHFHSA-N -1 0 488.536 5.601 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115002 569733987 /nfs/dbraw/zinc/73/39/87/569733987.db2.gz WNDFPQUKRIACSV-LJQANCHMSA-N -1 0 482.488 5.826 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116351 569735341 /nfs/dbraw/zinc/73/53/41/569735341.db2.gz JNOXWRXGIWZDCM-HSZRJFAPSA-N -1 0 496.515 5.728 50 0 biogenic JKAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000035958434 569736267 /nfs/dbraw/zinc/73/62/67/569736267.db2.gz ILBSJMXROGDXKN-MMRAYRKESA-N -1 0 453.347 5.082 50 0 JKAARM Cc1ccccc1C(=O)N(C(=O)c1ccccc1C(=O)[O-])c1cc(Br)cc2cccnc21 ZINC000096562287 569741008 /nfs/dbraw/zinc/74/10/08/569741008.db2.gz GDDFGRQCCUYCRU-UHFFFAOYSA-N -1 0 489.325 5.491 50 0 JKAARM O=C([O-])c1cc(NCCOC2c3ccccc3CCc3ccccc32)c2c(Cl)cc(Cl)cc2n1 ZINC000096576784 569741537 /nfs/dbraw/zinc/74/15/37/569741537.db2.gz RONKYKHXFNBQHE-UHFFFAOYSA-N -1 0 493.390 6.557 50 0 JKAARM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000096791722 569743089 /nfs/dbraw/zinc/74/30/89/569743089.db2.gz RHKJBKFWHYYCKC-VJGNERBWSA-N -1 0 486.568 5.315 50 0 JKAARM CC(=O)C(Cc1c(Cl)cccc1Cl)=C([O-])c1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000100325753 569757427 /nfs/dbraw/zinc/75/74/27/569757427.db2.gz ODBNKTGACIPYAO-AWEZNQCLSA-N -1 0 457.144 5.512 50 0 JKAARM Cc1cc(-c2c(C)[n-]n(-c3nc(-c4sccc4Cl)cs3)c2=O)n(-c2ccccc2)n1 ZINC000100332228 569757609 /nfs/dbraw/zinc/75/76/09/569757609.db2.gz PHBDAGXJZRTQEA-UHFFFAOYSA-N -1 0 453.980 5.886 50 0 JKAARM Cc1cc(-c2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c2=O)n(-c2ccccc2)n1 ZINC000100334551 569757711 /nfs/dbraw/zinc/75/77/11/569757711.db2.gz FIJRWSISYQTAME-UHFFFAOYSA-N -1 0 482.396 6.478 50 0 JKAARM Cc1cc(-c2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)n(-c2ccc(Cl)cc2Cl)n1 ZINC000100334426 569757723 /nfs/dbraw/zinc/75/77/23/569757723.db2.gz LEPNVHCBVJKTTQ-UHFFFAOYSA-N -1 0 482.396 6.478 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000100426036 569760190 /nfs/dbraw/zinc/76/01/90/569760190.db2.gz AQURXAZLEXEGHY-ONOMSOESSA-N -1 0 481.552 5.805 50 0 JKAARM CCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100464459 569761733 /nfs/dbraw/zinc/76/17/33/569761733.db2.gz ORKKZDQQJSNWOV-UHFFFAOYSA-N -1 0 477.630 5.684 50 0 JKAARM O=C(C(=C([O-])c1cccs1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1)C(F)(F)F ZINC000100544150 569764180 /nfs/dbraw/zinc/76/41/80/569764180.db2.gz AANPADBWYJHSEW-FCHUYYIVSA-N -1 0 453.485 6.685 50 0 JKAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000100658416 569766269 /nfs/dbraw/zinc/76/62/69/569766269.db2.gz QNBNRYVLRRBSNY-UHFFFAOYSA-N -1 0 483.593 6.345 50 0 JKAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000100658421 569766277 /nfs/dbraw/zinc/76/62/77/569766277.db2.gz GSZGMXRGLPDDAR-UHFFFAOYSA-N -1 0 497.620 6.735 50 0 JKAARM CC(C)Cn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100704913 569767231 /nfs/dbraw/zinc/76/72/31/569767231.db2.gz HCYXYPFHZNRZGK-UHFFFAOYSA-N -1 0 477.630 5.540 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000100721607 569767572 /nfs/dbraw/zinc/76/75/72/569767572.db2.gz DARHRRKLYKFAEK-LBNVMWSVSA-N -1 0 477.516 5.375 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036360925 569772708 /nfs/dbraw/zinc/77/27/08/569772708.db2.gz ZWUQRLJPUCZOCB-OAQYLSRUSA-N -1 0 459.310 5.001 50 0 JKAARM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn32)cc1 ZINC000100865768 569772850 /nfs/dbraw/zinc/77/28/50/569772850.db2.gz PGBFXJODYDVMSP-JOCHJYFZSA-N -1 0 477.977 5.097 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)/N=c2\sc3c(c(C)ccc3Cl)n2C)cc1 ZINC000100909023 569775057 /nfs/dbraw/zinc/77/50/57/569775057.db2.gz HTPPBQXZEJFUKZ-BZZOAKBMSA-N -1 0 486.018 5.052 50 0 JKAARM O=c1nc(-c2ccc(OC(F)F)cc2)[n-]c2c1sc1nc(C(F)F)cc(-c3ccccc3)c12 ZINC000036611344 569777439 /nfs/dbraw/zinc/77/74/39/569777439.db2.gz BGPCLOYIUSHCHZ-UHFFFAOYSA-N -1 0 471.435 6.406 50 0 JKAARM Cc1cc(C(F)(F)F)nc2sc3c([n-]c(-c4ccc(Cc5ccccc5)s4)nc3=O)c21 ZINC000036611372 569777522 /nfs/dbraw/zinc/77/75/22/569777522.db2.gz IRCSZCZQZBFQME-UHFFFAOYSA-N -1 0 457.502 6.592 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101017666 569779551 /nfs/dbraw/zinc/77/95/51/569779551.db2.gz HSQOUQCFHLDRPX-QFIPXVFZSA-N -1 0 477.977 5.097 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000101172908 569785994 /nfs/dbraw/zinc/78/59/94/569785994.db2.gz WVHHZBXERBMTER-GZBFPUCASA-N -1 0 498.748 7.804 50 0 JKAARM COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000101178242 569786271 /nfs/dbraw/zinc/78/62/71/569786271.db2.gz TXGYZICECONAGD-URAOTHONSA-N -1 0 496.563 6.110 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)cc3)C2)c([O-])[nH]c1=S ZINC000101495173 569800085 /nfs/dbraw/zinc/80/00/85/569800085.db2.gz LQCXGCKLMUIWFI-HXUWFJFHSA-N -1 0 467.616 5.778 50 0 JKAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S ZINC000101494889 569800116 /nfs/dbraw/zinc/80/01/16/569800116.db2.gz SWHFUDVWUMDZEB-MRXNPFEDSA-N -1 0 474.405 5.269 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101495352 569800294 /nfs/dbraw/zinc/80/02/94/569800294.db2.gz UYCIXHGAVYINJC-JOCHJYFZSA-N -1 0 479.671 6.893 50 0 JKAARM CC(C)c1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495294 569800394 /nfs/dbraw/zinc/80/03/94/569800394.db2.gz LSSZIPCLMDCACN-HXUWFJFHSA-N -1 0 451.617 5.640 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101495469 569800405 /nfs/dbraw/zinc/80/04/05/569800405.db2.gz JMGPOMKVNAUASZ-FQEVSTJZSA-N -1 0 481.599 5.498 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101495233 569800448 /nfs/dbraw/zinc/80/04/48/569800448.db2.gz GEQLCYLTWRTJAS-OAQYLSRUSA-N -1 0 481.643 6.168 50 0 JKAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495460 569800486 /nfs/dbraw/zinc/80/04/86/569800486.db2.gz JQSVMVKNLCFUOE-XMMPIXPASA-N -1 0 499.592 5.215 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101495351 569800520 /nfs/dbraw/zinc/80/05/20/569800520.db2.gz UYCIXHGAVYINJC-QFIPXVFZSA-N -1 0 479.671 6.893 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000101501495 569800832 /nfs/dbraw/zinc/80/08/32/569800832.db2.gz XHXUWKJGNWRSKB-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccccc1C ZINC000101501440 569800888 /nfs/dbraw/zinc/80/08/88/569800888.db2.gz JMLHKUDMZNZTNL-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000101501398 569800902 /nfs/dbraw/zinc/80/09/02/569800902.db2.gz ACTCNFPCYIYYMV-UHFFFAOYSA-N -1 0 456.930 5.374 50 0 JKAARM COc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccccc4Cl)c3=O)nc2C)c(OC)c1 ZINC000101505609 569801170 /nfs/dbraw/zinc/80/11/70/569801170.db2.gz CUWZGWWSAJKLOD-UHFFFAOYSA-N -1 0 498.992 5.165 50 0 JKAARM CCOc1ccccc1NC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000101505289 569801194 /nfs/dbraw/zinc/80/11/94/569801194.db2.gz NYQCOVGWYYBAGW-UHFFFAOYSA-N -1 0 468.966 5.243 50 0 JKAARM COc1cccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)c1 ZINC000101505401 569801201 /nfs/dbraw/zinc/80/12/01/569801201.db2.gz YEQLMIFRRZNMNU-UHFFFAOYSA-N -1 0 468.966 5.156 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101517922 569801286 /nfs/dbraw/zinc/80/12/86/569801286.db2.gz LPICGENYYNKSJE-QFIPXVFZSA-N -1 0 477.977 5.097 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101524278 569801306 /nfs/dbraw/zinc/80/13/06/569801306.db2.gz QWPSCIZLZZVNBW-HSZRJFAPSA-N -1 0 492.004 5.405 50 0 JKAARM CCCc1c(OCCCOc2cccc(Sc3ccc(C(=O)[O-])cc3)c2)ccc(C(C)=O)c1O ZINC000038361920 569801367 /nfs/dbraw/zinc/80/13/67/569801367.db2.gz SBHUTFSYGBHIGF-UHFFFAOYSA-N -1 0 480.582 6.245 50 0 JKAARM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766645 569804814 /nfs/dbraw/zinc/80/48/14/569804814.db2.gz QNGUMYWJPUCYBV-DEOSSOPVSA-N -1 0 489.641 6.229 50 0 JKAARM O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000101766667 569804854 /nfs/dbraw/zinc/80/48/54/569804854.db2.gz IBJVGOHBTUTGPR-LJQANCHMSA-N -1 0 453.589 5.167 50 0 JKAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@@H](c4cccs4)C3)c2=O)c1 ZINC000101766819 569804945 /nfs/dbraw/zinc/80/49/45/569804945.db2.gz DSJWGWPXLGOSRS-OAQYLSRUSA-N -1 0 475.595 5.268 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101767096 569804986 /nfs/dbraw/zinc/80/49/86/569804986.db2.gz GBFDEFSCHARRBH-OAQYLSRUSA-N -1 0 497.642 5.787 50 0 JKAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@H](c4cccs4)C3)c2=O)c1 ZINC000101766812 569805068 /nfs/dbraw/zinc/80/50/68/569805068.db2.gz DSJWGWPXLGOSRS-NRFANRHFSA-N -1 0 475.595 5.268 50 0 JKAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000101894586 569807655 /nfs/dbraw/zinc/80/76/55/569807655.db2.gz CSCRORLZNMBXCM-COVQPCOOSA-N -1 0 472.589 5.547 50 0 JKAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1cccc2ccccc21 ZINC000039959770 569812564 /nfs/dbraw/zinc/81/25/64/569812564.db2.gz RAPMNQVPJSSLIN-NRFANRHFSA-N -1 0 451.522 5.622 50 0 JKAARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102523802 569813859 /nfs/dbraw/zinc/81/38/59/569813859.db2.gz AMWVGTBSLOIBQC-YKGWIAGDSA-N -1 0 480.564 6.410 50 0 JKAARM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102728029 569817927 /nfs/dbraw/zinc/81/79/27/569817927.db2.gz UQKHXXIFTXJVDW-BHDDXSALSA-N -1 0 453.325 5.353 50 0 JKAARM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102737936 569819002 /nfs/dbraw/zinc/81/90/02/569819002.db2.gz RHKJBKFWHYYCKC-ZONZVBGPSA-N -1 0 486.568 5.315 50 0 JKAARM CCn1c(=O)c2ccc(C(=O)N([C@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc2[n-]c1=S ZINC000102775277 569823534 /nfs/dbraw/zinc/82/35/34/569823534.db2.gz AILXMMFCKASQRE-CYBMUJFWSA-N -1 0 461.509 5.090 50 0 JKAARM CCn1c(=O)c2ccc(C(=O)N([C@@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc2[n-]c1=S ZINC000102775274 569823618 /nfs/dbraw/zinc/82/36/18/569823618.db2.gz AILXMMFCKASQRE-ZDUSSCGKSA-N -1 0 461.509 5.090 50 0 JKAARM COc1ccc2[nH]c(C)c(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1 ZINC000040566527 569830212 /nfs/dbraw/zinc/83/02/12/569830212.db2.gz SRRMFPYHTJBBIA-AREMUKBSSA-N -1 0 470.525 5.019 50 0 JKAARM CCCCC[C@H](C)Cn1c(SCc2cc(=O)n3nc[n-]c3n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000102986957 569830505 /nfs/dbraw/zinc/83/05/05/569830505.db2.gz IHTQTYRRKAMRQE-SFHVURJKSA-N -1 0 493.681 5.482 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3F)c(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2=O)c1 ZINC000103152963 569833489 /nfs/dbraw/zinc/83/34/89/569833489.db2.gz BUZPOPXYZDXWGC-UHFFFAOYSA-N -1 0 497.957 7.265 50 0 JKAARM Cc1cccc(C(=O)Nc2ccc(C3C(=O)N(c4ccccc4)N=C3c3cccc(C)c3)cc2)c1 ZINC000103174522 569833601 /nfs/dbraw/zinc/83/36/01/569833601.db2.gz KWFAMGLQKNCFKG-UHFFFAOYSA-N -1 0 459.549 6.781 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000043727089 569838339 /nfs/dbraw/zinc/83/83/39/569838339.db2.gz LGTRHQZPAVTYED-DNHJLFCISA-N -1 0 480.564 5.258 50 0 JKAARM CCCc1c(OCCOc2cccc(Sc3ccc(C(=O)[O-])cc3)c2)ccc(C(C)=O)c1O ZINC000045068833 569839937 /nfs/dbraw/zinc/83/99/37/569839937.db2.gz ZIWODEVKKRPIMT-UHFFFAOYSA-N -1 0 466.555 5.855 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000104082653 569840572 /nfs/dbraw/zinc/84/05/72/569840572.db2.gz UTCYFHTZJRINDC-AFJIDDCJSA-N -1 0 484.527 6.241 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N(C)c2ccc(Cl)c(Cl)c2)c1 ZINC000048311207 569845679 /nfs/dbraw/zinc/84/56/79/569845679.db2.gz ASPUHIAVRWKXHI-UHFFFAOYSA-N -1 0 473.385 5.814 50 0 JKAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[C@@]2(O)C(=O)[O-] ZINC000106937063 569855897 /nfs/dbraw/zinc/85/58/97/569855897.db2.gz BUTZQISUUIVKIG-CAKYRVLISA-N -1 0 491.950 5.585 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c(O)c(CCc4c([O-])c5cc(F)cc6c5n(c4=O)[C@@H](C)CC6)c(O)c1c23 ZINC000106947444 569855967 /nfs/dbraw/zinc/85/59/67/569855967.db2.gz RPGQPWPKHXVZDL-KGLIPLIRSA-N -1 0 491.534 5.892 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000107177717 569856343 /nfs/dbraw/zinc/85/63/43/569856343.db2.gz LGTRHQZPAVTYED-YDXRHMNESA-N -1 0 480.564 5.258 50 0 JKAARM O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000136255716 569864591 /nfs/dbraw/zinc/86/45/91/569864591.db2.gz VDJMILZIOPAUCW-GBESFXJTSA-N -1 0 478.879 5.471 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000136639292 569864750 /nfs/dbraw/zinc/86/47/50/569864750.db2.gz XAWGCHOHQDTCLG-QKNQBKEWSA-N -1 0 457.288 5.184 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000137756618 569865146 /nfs/dbraw/zinc/86/51/46/569865146.db2.gz BTMFSNWJQHGSAJ-PCCBWWKXSA-N -1 0 457.288 5.184 50 0 JKAARM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137840946 569865274 /nfs/dbraw/zinc/86/52/74/569865274.db2.gz PCHRNFDRVIKOHO-BHDDXSALSA-N -1 0 453.325 5.353 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)c1 ZINC000169682912 569871011 /nfs/dbraw/zinc/87/10/11/569871011.db2.gz MRRXYEYSIFOGFP-MBZYPRJPSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM COc1cccc2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000170612590 569872834 /nfs/dbraw/zinc/87/28/34/569872834.db2.gz IPHQZOIGCHKTCX-IBGZPJMESA-N -1 0 486.355 5.483 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170615369 569872936 /nfs/dbraw/zinc/87/29/36/569872936.db2.gz RUKCMZQTTMAJBL-XMMPIXPASA-N -1 0 484.581 5.452 50 0 JKAARM COc1cccc2cc([C@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170614141 569872955 /nfs/dbraw/zinc/87/29/55/569872955.db2.gz ZTMFGDBJRHICLO-GOSISDBHSA-N -1 0 472.328 5.093 50 0 JKAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2csc(Nc3ccccc3Cl)n2)c1 ZINC000206872692 569874739 /nfs/dbraw/zinc/87/47/39/569874739.db2.gz VVLNOYRBQYEVBB-UHFFFAOYSA-N -1 0 460.968 5.613 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000217451177 569880042 /nfs/dbraw/zinc/88/00/42/569880042.db2.gz CVJHNVSDGABJKP-UAPYVXQJSA-N -1 0 473.525 5.064 50 0 JKAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000226327304 570037480 /nfs/dbraw/zinc/03/74/80/570037480.db2.gz UFNYYECZSDLHPB-UHFFFAOYSA-N -1 0 467.086 5.274 50 0 JKAARM CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226899939 570039244 /nfs/dbraw/zinc/03/92/44/570039244.db2.gz ZQKZWPWZSLAQMV-JIMJEQGWSA-N -1 0 466.562 5.613 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000230010148 570043365 /nfs/dbraw/zinc/04/33/65/570043365.db2.gz ZDJLGAQDLXRNTG-PWRODBHTSA-N -1 0 483.749 5.154 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C ZINC000230066417 570044269 /nfs/dbraw/zinc/04/42/69/570044269.db2.gz HSZFOQSMGNAIJM-CXSAHOSLSA-N -1 0 465.634 6.213 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000230199894 570046089 /nfs/dbraw/zinc/04/60/89/570046089.db2.gz YPMQQNQXZRJTNB-XZSZPMDUSA-N -1 0 496.632 5.727 50 0 JKAARM COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000230477930 570046404 /nfs/dbraw/zinc/04/64/04/570046404.db2.gz ZBOYJODMIAUJHH-SANMLTNESA-N -1 0 475.585 5.697 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccc(Br)cc1 ZINC000241869026 570053482 /nfs/dbraw/zinc/05/34/82/570053482.db2.gz STVGXIHRBYAVSP-KRWDZBQOSA-N -1 0 470.150 5.298 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2C1 ZINC000245255904 570060249 /nfs/dbraw/zinc/06/02/49/570060249.db2.gz MIJYXULNPSFWEK-HZQRXPNDSA-N -1 0 456.711 7.234 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000245255912 570060261 /nfs/dbraw/zinc/06/02/61/570060261.db2.gz MIJYXULNPSFWEK-XENLZXDWSA-N -1 0 456.711 7.234 50 0 JKAARM CCOc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 ZINC000245309704 570063071 /nfs/dbraw/zinc/06/30/71/570063071.db2.gz FPSDNMWJSNNGOE-XPWALMASSA-N -1 0 483.351 5.443 50 0 JKAARM CC(=O)O[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]2C(=O)[O-])C(=O)C1 ZINC000248295694 570077470 /nfs/dbraw/zinc/07/74/70/570077470.db2.gz XAJFPZPUIZSONS-SUGZGUSUSA-N -1 0 462.671 6.283 50 0 JKAARM O=C([O-])CSC1=NC(=Nc2ccc(Cl)cc2)C2(CCCCC2)N1c1ccccc1Cl ZINC000252590587 570084067 /nfs/dbraw/zinc/08/40/67/570084067.db2.gz ATLOTHQGSVZZMO-UHFFFAOYSA-N -1 0 462.402 6.420 50 0 JKAARM Cc1cc(N=NC(C)c2cccc(N)c2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000252591873 570084180 /nfs/dbraw/zinc/08/41/80/570084180.db2.gz BCLGNXAWFYCVKB-UHFFFAOYSA-N -1 0 491.187 5.101 50 0 JKAARM COc1ccc(N2C(SCC(=O)[O-])=NC(=Nc3ccc(Cl)cc3)C23CCCCC3)cc1 ZINC000252617701 570086858 /nfs/dbraw/zinc/08/68/58/570086858.db2.gz KYNLKCPZIDZNDR-UHFFFAOYSA-N -1 0 457.983 5.776 50 0 JKAARM O=C([O-])[C@@H](CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC000252618085 570086892 /nfs/dbraw/zinc/08/68/92/570086892.db2.gz LDLVXDRLQAPFMV-SFHVURJKSA-N -1 0 473.445 5.059 50 0 JKAARM O=C([O-])Cn1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000252625361 570088318 /nfs/dbraw/zinc/08/83/18/570088318.db2.gz QIEDPFOXYMLHQS-SMQJIGSPSA-N -1 0 453.523 5.535 50 0 JKAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc(F)cc6)coc5c43)o2)cc1 ZINC000253398505 570096238 /nfs/dbraw/zinc/09/62/38/570096238.db2.gz CEMJQVUURWOOAL-FQEVSTJZSA-N -1 0 496.446 5.998 50 0 biogenic JKAARM O=C1C[C@@H](c2ccnc3ccccc32)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253398275 570096241 /nfs/dbraw/zinc/09/62/41/570096241.db2.gz CAURDBJBZNIANF-SFHVURJKSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM O=C1C[C@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253401224 570096539 /nfs/dbraw/zinc/09/65/39/570096539.db2.gz FLGLRJWTRKAETA-GOSISDBHSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM CSc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1 ZINC000253401281 570096552 /nfs/dbraw/zinc/09/65/52/570096552.db2.gz FMOLJAPKVSTRIH-QGZVFWFLSA-N -1 0 464.926 5.982 50 0 biogenic JKAARM O=C1C[C@@H](c2ccc3ncccc3c2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253401230 570096560 /nfs/dbraw/zinc/09/65/60/570096560.db2.gz FLGLRJWTRKAETA-SFHVURJKSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000253403416 570096944 /nfs/dbraw/zinc/09/69/44/570096944.db2.gz HDUIRSKQILPXNF-OAQYLSRUSA-N -1 0 492.483 6.168 50 0 biogenic JKAARM O=C(C[C@@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCCCC1 ZINC000253408210 570097428 /nfs/dbraw/zinc/09/74/28/570097428.db2.gz KMZGWHAQIXJEAF-NRFANRHFSA-N -1 0 485.536 5.111 50 0 biogenic JKAARM O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253410171 570097572 /nfs/dbraw/zinc/09/75/72/570097572.db2.gz MXHMSSXPBFHUFL-INIZCTEOSA-N -1 0 476.868 5.031 50 0 biogenic JKAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1OC ZINC000253413782 570098329 /nfs/dbraw/zinc/09/83/29/570098329.db2.gz VQKIVQJEIITPIO-MRXNPFEDSA-N -1 0 478.884 5.277 50 0 biogenic JKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497601 570100338 /nfs/dbraw/zinc/10/03/38/570100338.db2.gz WLNARFZDISHUGS-KWMONSPJSA-N -1 0 486.737 7.804 50 0 biogenic JKAARM O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253623675 570105254 /nfs/dbraw/zinc/10/52/54/570105254.db2.gz FMCAAZWYLLYYCW-MRXNPFEDSA-N -1 0 485.879 5.514 50 0 biogenic JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C ZINC000257347076 570152062 /nfs/dbraw/zinc/15/20/62/570152062.db2.gz RIXNFYQZWDGQAE-IAQYCRETSA-N -1 0 498.748 7.804 50 0 JKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCC(=O)[O-])[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000257358975 570153801 /nfs/dbraw/zinc/15/38/01/570153801.db2.gz XSDQBBRWWRPKEO-AYLDYTOFSA-N -1 0 476.654 5.620 50 0 JKAARM O=C([O-])c1ccccc1-c1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)o1 ZINC000263585665 570171253 /nfs/dbraw/zinc/17/12/53/570171253.db2.gz LFFQLWCWHKXXGN-NRFANRHFSA-N -1 0 462.505 6.122 50 0 biogenic JKAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1cc(C(F)(F)F)ccc1S[C@H](c1ccc3nccnc3c1)C2 ZINC000299784928 570176636 /nfs/dbraw/zinc/17/66/36/570176636.db2.gz PVOHWVRYVOEVLE-NRFANRHFSA-N -1 0 483.471 5.196 50 0 JKAARM COc1ccc([C@@H]2Cc3c(C(=O)[O-])c(=O)cc(C)n3-c3cc(C(F)(F)F)ccc3S2)cc1 ZINC000299783533 570176688 /nfs/dbraw/zinc/17/66/88/570176688.db2.gz ZEAPKPJIYHHEJT-FQEVSTJZSA-N -1 0 461.461 5.261 50 0 JKAARM COc1ccccc1[C@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2cc(C(F)(F)F)ccc2S1 ZINC000299798679 570177317 /nfs/dbraw/zinc/17/73/17/570177317.db2.gz UEJVETKAARVGOG-HXUWFJFHSA-N -1 0 461.461 5.261 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2c([C@H]3CCC(=O)N3Cc3ccc(F)cc3)c3ccccc3n2C)cc1 ZINC000334163628 570185241 /nfs/dbraw/zinc/18/52/41/570185241.db2.gz ZFQDMEQFSUDYLQ-XMMPIXPASA-N -1 0 491.588 5.290 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000031519772 291598316 /nfs/dbraw/zinc/59/83/16/291598316.db2.gz WCGUUGGRBIKTOS-JJRJTKKCSA-N -1 0 456.711 7.090 50 0 biogenic,in-vitro JKAARM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1)c1cccc2nonc21 ZINC000001029814 194005427 /nfs/dbraw/zinc/00/54/27/194005427.db2.gz DUYXJVMWLVKDFN-UHFFFAOYSA-N -1 0 484.965 5.912 50 0 JKAARM O=S(=O)([N-]c1ncccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000001043439 194008421 /nfs/dbraw/zinc/00/84/21/194008421.db2.gz JFGIIOUPINSVSL-UHFFFAOYSA-N -1 0 488.190 5.531 50 0 JKAARM CCCc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001043441 194008494 /nfs/dbraw/zinc/00/84/94/194008494.db2.gz XEVXPARNOVMYAZ-UHFFFAOYSA-N -1 0 451.375 5.721 50 0 JKAARM CCOC(=O)c1c(C)oc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000001047144 194008924 /nfs/dbraw/zinc/00/89/24/194008924.db2.gz RKPLMGHQDDDABU-UHFFFAOYSA-N -1 0 483.464 5.440 50 0 JKAARM Cc1nc(SCc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1Oc1cccc(C(F)(F)F)c1 ZINC000001047976 194009013 /nfs/dbraw/zinc/00/90/13/194009013.db2.gz XUKXUADPMHTQOU-UHFFFAOYSA-N -1 0 460.399 6.201 50 0 JKAARM CCOC(=O)c1c(C)oc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000001047145 194009039 /nfs/dbraw/zinc/00/90/39/194009039.db2.gz HTFHMCBFBVSUKV-UHFFFAOYSA-N -1 0 467.465 5.560 50 0 JKAARM COC(=O)c1ccc(CSc2ccccc2[N-]C(=S)Nc2cccc(C(F)(F)F)c2)o1 ZINC000001048545 194009352 /nfs/dbraw/zinc/00/93/52/194009352.db2.gz NIKAGQFKGNGHBO-UHFFFAOYSA-N -1 0 466.506 6.186 50 0 JKAARM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000001049447 194009586 /nfs/dbraw/zinc/00/95/86/194009586.db2.gz ZZYVBNVILLTGBA-UHFFFAOYSA-N -1 0 486.977 5.187 50 0 JKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000001075738 194017910 /nfs/dbraw/zinc/01/79/10/194017910.db2.gz WYXGFXYHBPSISG-UHFFFAOYSA-N -1 0 469.777 6.008 50 0 JKAARM Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)ccc1Br ZINC000001075718 194017946 /nfs/dbraw/zinc/01/79/46/194017946.db2.gz XTZHNYXRJJJIPX-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1Cl ZINC000001057556 194011415 /nfs/dbraw/zinc/01/14/15/194011415.db2.gz UWPZHYWDTBJDTR-UHFFFAOYSA-N -1 0 450.947 5.855 50 0 JKAARM Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)ccc1Br ZINC000001059462 194012041 /nfs/dbraw/zinc/01/20/41/194012041.db2.gz HRVBHMFTODVWEX-UHFFFAOYSA-N -1 0 493.810 5.772 50 0 JKAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1Cl ZINC000001064645 194013422 /nfs/dbraw/zinc/01/34/22/194013422.db2.gz KWBUOVIAVCAJTM-UHFFFAOYSA-N -1 0 463.740 5.081 50 0 JKAARM Cc1[nH]c2ccccc2c1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001065247 194013793 /nfs/dbraw/zinc/01/37/93/194013793.db2.gz UQFMVWUPNNGDJG-INIZCTEOSA-N -1 0 452.190 5.520 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cncs2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000001113194 194028399 /nfs/dbraw/zinc/02/83/99/194028399.db2.gz LIZAOLFIAVLFJU-UHFFFAOYSA-N -1 0 493.488 5.475 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1C ZINC000001077547 194018735 /nfs/dbraw/zinc/01/87/35/194018735.db2.gz QACAURZPPZPIOH-UHFFFAOYSA-N -1 0 482.911 6.029 50 0 JKAARM CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000001078499 194019322 /nfs/dbraw/zinc/01/93/22/194019322.db2.gz APWVQSFBNVOZFN-UHFFFAOYSA-N -1 0 486.977 5.187 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(Cl)cc3)nc2c1 ZINC000001078723 194019648 /nfs/dbraw/zinc/01/96/48/194019648.db2.gz SHSKPPVNROWPSZ-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM CC(C)OC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000001082894 194020884 /nfs/dbraw/zinc/02/08/84/194020884.db2.gz LXNJUMBYEUVMGV-LBPRGKRZSA-N -1 0 472.426 5.001 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)no1 ZINC000001116389 194030285 /nfs/dbraw/zinc/03/02/85/194030285.db2.gz UHCYCHHRWKDDJI-HSZRJFAPSA-N -1 0 479.583 5.256 50 0 JKAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCCCC2)c1 ZINC000001123164 194034787 /nfs/dbraw/zinc/03/47/87/194034787.db2.gz ZZXZIHFVLGWKTF-YADHBBJMSA-N -1 0 463.578 5.067 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)no1 ZINC000001130227 194038705 /nfs/dbraw/zinc/03/87/05/194038705.db2.gz SWPMRKIHQAAZTB-UHFFFAOYSA-N -1 0 492.395 5.096 50 0 JKAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000001130727 194038981 /nfs/dbraw/zinc/03/89/81/194038981.db2.gz CZOUAMIXOSIGOC-UHFFFAOYSA-N -1 0 488.565 5.424 50 0 JKAARM COc1cc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc(OC)c1OC ZINC000001165495 194057311 /nfs/dbraw/zinc/05/73/11/194057311.db2.gz WRMKKPCGARQORO-UHFFFAOYSA-N -1 0 492.347 5.154 50 0 JKAARM O=C([O-])c1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)c1 ZINC000001149296 194049697 /nfs/dbraw/zinc/04/96/97/194049697.db2.gz WONWATWGCIUMMQ-UHFFFAOYSA-N -1 0 479.492 5.142 50 0 JKAARM CCc1cc2c(cc1OC(=O)C(C)(C)C)oc(CCCC(=O)[O-])c(-c1nc3ccccc3n1C)c2=O ZINC000001155601 194052678 /nfs/dbraw/zinc/05/26/78/194052678.db2.gz CGAMFRPBEDCRSK-UHFFFAOYSA-N -1 0 490.556 5.268 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000001161268 194054946 /nfs/dbraw/zinc/05/49/46/194054946.db2.gz TXLFUTMVOGJQQB-INIZCTEOSA-N -1 0 491.034 5.577 50 0 JKAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1)c1ccccc1 ZINC000001196873 194067775 /nfs/dbraw/zinc/06/77/75/194067775.db2.gz BGUZLSODRLLPRW-UHFFFAOYSA-N -1 0 455.750 5.700 50 0 JKAARM O=S(=O)([N-]c1nccs1)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000001180495 194063024 /nfs/dbraw/zinc/06/30/24/194063024.db2.gz DZZZWMZBDVOBAJ-UHFFFAOYSA-N -1 0 494.001 5.951 50 0 JKAARM COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000001296339 194081954 /nfs/dbraw/zinc/08/19/54/194081954.db2.gz ZDHJQRYQPJQATA-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000001388554 194113739 /nfs/dbraw/zinc/11/37/39/194113739.db2.gz BRRKRGOVJDRDJR-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM Cc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000001388496 194113836 /nfs/dbraw/zinc/11/38/36/194113836.db2.gz FUWVPGUNJZPQPF-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001391913 194114256 /nfs/dbraw/zinc/11/42/56/194114256.db2.gz XIFYOYNGKSQHIM-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 JKAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001391899 194114313 /nfs/dbraw/zinc/11/43/13/194114313.db2.gz BASOKBGRYUAUME-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 JKAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000001391898 194114412 /nfs/dbraw/zinc/11/44/12/194114412.db2.gz NKUKXBQIYFLTGD-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 JKAARM Cc1ccccc1NC(=O)c1ccc(OC(=S)[N-]c2ccc(I)cc2)cc1 ZINC000001434835 194120280 /nfs/dbraw/zinc/12/02/80/194120280.db2.gz JTOWJPOCNRVIAC-UHFFFAOYSA-N -1 0 488.350 5.628 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccccc2F)cc1 ZINC000001409029 194116380 /nfs/dbraw/zinc/11/63/80/194116380.db2.gz FONMMFZSDPCAHI-KEEVHDRGSA-N -1 0 498.554 6.549 50 0 JKAARM O=C([O-])CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000001416010 194117172 /nfs/dbraw/zinc/11/71/72/194117172.db2.gz JUKSUNYIADUDOH-WSVATBPTSA-N -1 0 477.394 5.282 50 0 JKAARM O=C(Nc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001426011 194119149 /nfs/dbraw/zinc/11/91/49/194119149.db2.gz KCGSJYWHUZKLLO-UHFFFAOYSA-N -1 0 454.857 5.412 50 0 JKAARM Cc1cccc(NC(=O)c2ccc(OC(=S)[N-]c3ccc(Br)cc3)cc2)c1C ZINC000001438863 194120479 /nfs/dbraw/zinc/12/04/79/194120479.db2.gz JQINEURSXRBLIX-UHFFFAOYSA-N -1 0 455.377 6.094 50 0 JKAARM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000001490484 194126079 /nfs/dbraw/zinc/12/60/79/194126079.db2.gz DRSJLVGDSNWQBI-SFHVURJKSA-N -1 0 474.340 5.103 50 0 JKAARM CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C(C)(C)CC)c1 ZINC000001609166 194129332 /nfs/dbraw/zinc/12/93/32/194129332.db2.gz DHEJKONKJWLHGP-UHFFFAOYSA-N -1 0 475.673 7.510 50 0 JKAARM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001773544 194137559 /nfs/dbraw/zinc/13/75/59/194137559.db2.gz JRHOYFBLVXFJBR-UHFFFAOYSA-N -1 0 473.620 5.039 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2ccc(Br)cc21 ZINC000001790024 194140940 /nfs/dbraw/zinc/14/09/40/194140940.db2.gz IZXNVEGAAIKSKQ-UHFFFAOYSA-N -1 0 463.114 6.929 50 0 JKAARM COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(C(=O)[O-])cc2)CCCC4)cc1 ZINC000001804762 194143461 /nfs/dbraw/zinc/14/34/61/194143461.db2.gz TWUHBIHMYOADRI-UHFFFAOYSA-N -1 0 478.595 5.325 50 0 JKAARM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Br)cc(Br)c1[O-] ZINC000001920346 194155600 /nfs/dbraw/zinc/15/56/00/194155600.db2.gz SJICCMSSBADYFL-UHFFFAOYSA-N -1 0 497.570 6.615 50 0 JKAARM Cc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(-c2ccccc2)c1C(=O)[O-] ZINC000002197114 194158070 /nfs/dbraw/zinc/15/80/70/194158070.db2.gz FLJFZKOURMBWOB-UHFFFAOYSA-N -1 0 489.597 5.206 50 0 JKAARM O=C([O-])c1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002240562 194158679 /nfs/dbraw/zinc/15/86/79/194158679.db2.gz KDRUERVLJQMQQW-UHFFFAOYSA-N -1 0 489.340 5.179 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)c(Cl)c1Cl ZINC000002842225 194166301 /nfs/dbraw/zinc/16/63/01/194166301.db2.gz FEBGUENSSIISSI-UHFFFAOYSA-N -1 0 468.427 6.404 50 0 JKAARM Cc1cc(-n2c3nc(SCC(=O)[O-])n(-c4ccc(F)cc4)c(=O)c3sc2=S)ccc1Cl ZINC000003026660 194211528 /nfs/dbraw/zinc/21/15/28/194211528.db2.gz DKKTUKCVWLELRJ-UHFFFAOYSA-N -1 0 493.994 5.245 50 0 JKAARM CCOc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(C)c(C)c4)c3nc2SCC(=O)[O-])cc1 ZINC000003026507 194211559 /nfs/dbraw/zinc/21/15/59/194211559.db2.gz APHJRLOVAQVEOZ-UHFFFAOYSA-N -1 0 499.639 5.160 50 0 JKAARM Cc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(C)c(C)c4)c3nc2SCC(=O)[O-])cc1 ZINC000003034287 194213732 /nfs/dbraw/zinc/21/37/32/194213732.db2.gz DQHZEACZSJSHSH-UHFFFAOYSA-N -1 0 469.613 5.069 50 0 JKAARM Cc1ccccc1NC(=S)N(Cc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003035641 194214051 /nfs/dbraw/zinc/21/40/51/194214051.db2.gz NNCXGQYJBTXZKC-UHFFFAOYSA-N -1 0 469.404 5.855 50 0 JKAARM COc1cccc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000003035643 194214150 /nfs/dbraw/zinc/21/41/50/194214150.db2.gz LDVHBJDZWVLSNK-UHFFFAOYSA-N -1 0 485.403 5.555 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2cc(C)cc(C)c2)cc1OC ZINC000003036472 194214273 /nfs/dbraw/zinc/21/42/73/194214273.db2.gz AEFLTQORPSAZJS-UHFFFAOYSA-N -1 0 464.587 5.418 50 0 JKAARM COc1ccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000003036499 194214282 /nfs/dbraw/zinc/21/42/82/194214282.db2.gz ZPNJPDNXPHNZMD-UHFFFAOYSA-N -1 0 491.451 5.548 50 0 JKAARM COc1ccccc1NC(=S)N(Cc1cccc(Br)c1)CC1CCC(C(=O)[O-])CC1 ZINC000003037363 194214459 /nfs/dbraw/zinc/21/44/59/194214459.db2.gz HYAZKYUSZJDSDI-UHFFFAOYSA-N -1 0 491.451 5.548 50 0 JKAARM Cc1cc(C)c(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000003037377 194214534 /nfs/dbraw/zinc/21/45/34/194214534.db2.gz VTFXGNSJKHQYSI-UHFFFAOYSA-N -1 0 453.007 6.363 50 0 JKAARM Cc1cccc([N-]C(=S)Oc2cccc(C(=O)Nc3ccc(Br)cc3)c2)c1C ZINC000003088515 194224603 /nfs/dbraw/zinc/22/46/03/194224603.db2.gz NHPIKBCUHGIJDK-UHFFFAOYSA-N -1 0 455.377 6.094 50 0 JKAARM O=C([O-])c1cc(Br)cc(Br)c1NC(=O)c1sc2ccccc2c1Cl ZINC000003046291 194216853 /nfs/dbraw/zinc/21/68/53/194216853.db2.gz KRYJJNWCLQDEEA-UHFFFAOYSA-N -1 0 489.572 6.030 50 0 JKAARM COc1ccc(N2C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(C(=O)[O-])cc5)cc4)cc3C2=O)cc1 ZINC000003130064 194229540 /nfs/dbraw/zinc/22/95/40/194229540.db2.gz MMXOQOCFBDVPHU-UHFFFAOYSA-N -1 0 493.471 5.217 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003133397 194230161 /nfs/dbraw/zinc/23/01/61/194230161.db2.gz SILRVYRNRJKJMT-UHFFFAOYSA-N -1 0 455.967 5.164 50 0 aggregator JKAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000003169819 194233662 /nfs/dbraw/zinc/23/36/62/194233662.db2.gz BXOZOUACSIKVIF-UHFFFAOYSA-N -1 0 485.396 5.822 50 0 JKAARM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC000003190271 194236725 /nfs/dbraw/zinc/23/67/25/194236725.db2.gz GRPPLTVZUQVNQK-NRFANRHFSA-N -1 0 494.503 8.179 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Sc2nc3ccccc3s2)cc1 ZINC000003193567 194237420 /nfs/dbraw/zinc/23/74/20/194237420.db2.gz WURXOFNRYXUHBN-UHFFFAOYSA-N -1 0 464.597 5.500 50 0 JKAARM O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003241891 194248779 /nfs/dbraw/zinc/24/87/79/194248779.db2.gz BJKVRRXRCNFILF-UHFFFAOYSA-N -1 0 490.195 6.353 50 0 JKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003261174 194255308 /nfs/dbraw/zinc/25/53/08/194255308.db2.gz GPWXQXRAAXXRMF-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM O=C([O-])/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003265452 194256413 /nfs/dbraw/zinc/25/64/13/194256413.db2.gz XCFGEWGIQADPMT-HEHNFIMWSA-N -1 0 453.585 5.215 50 0 JKAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 ZINC000003279580 194261339 /nfs/dbraw/zinc/26/13/39/194261339.db2.gz VCYLZDLWDVKDLS-UHFFFAOYSA-N -1 0 468.554 5.327 50 0 JKAARM Cc1cc2nc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c(Nc3cccc(O)c3)nc2cc1C ZINC000003283024 194262742 /nfs/dbraw/zinc/26/27/42/194262742.db2.gz BDPBXOLVTASAAR-UHFFFAOYSA-N -1 0 488.491 5.515 50 0 JKAARM Cc1cc2nc([N-]S(=O)(=O)c3cccc(Cl)c3)c(Nc3ccccc3C)nc2cc1C ZINC000003283332 194262920 /nfs/dbraw/zinc/26/29/20/194262920.db2.gz ZRTQNINZWBQCPP-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM O=C([O-])CSc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003310835 194276720 /nfs/dbraw/zinc/27/67/20/194276720.db2.gz CKHDXJYAWCVKRM-UHFFFAOYSA-N -1 0 481.462 5.802 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000003294046 194269047 /nfs/dbraw/zinc/26/90/47/194269047.db2.gz AZZXFSGIRVTSMC-UHFFFAOYSA-N -1 0 493.354 5.040 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)cc1C ZINC000003328203 194284011 /nfs/dbraw/zinc/28/40/11/194284011.db2.gz UZQCSSSLJTZVKV-UHFFFAOYSA-N -1 0 489.420 5.615 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000003328324 194284254 /nfs/dbraw/zinc/28/42/54/194284254.db2.gz BBVJKHISHOLIKN-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000003348369 194294765 /nfs/dbraw/zinc/29/47/65/194294765.db2.gz USDJVLTZYZBPRT-UHFFFAOYSA-N -1 0 470.904 5.145 50 0 JKAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cc(Br)ccc1Br ZINC000003379040 194309117 /nfs/dbraw/zinc/30/91/17/194309117.db2.gz VUBRRRFWMSEKJA-UHFFFAOYSA-N -1 0 459.081 5.031 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635629 194345210 /nfs/dbraw/zinc/34/52/10/194345210.db2.gz NORADKFZOAXIAO-UHFFFAOYSA-N -1 0 451.935 5.250 50 0 JKAARM Cc1oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2c1C(=O)OCc1ccccc1 ZINC000003656734 194353460 /nfs/dbraw/zinc/35/34/60/194353460.db2.gz WYNCUIWTBQLMIW-UHFFFAOYSA-N -1 0 472.522 5.447 50 0 JKAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003671066 194358575 /nfs/dbraw/zinc/35/85/75/194358575.db2.gz ZWBXTJCIFAJSLD-LWCGHFMUSA-N -1 0 459.501 6.133 50 0 JKAARM FC(F)Sc1ccccc1[N-]C(=S)NNc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000003771020 194361268 /nfs/dbraw/zinc/36/12/68/194361268.db2.gz LWPWTDXRDZDLSG-UHFFFAOYSA-N -1 0 464.177 6.323 50 0 JKAARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000003884682 194366698 /nfs/dbraw/zinc/36/66/98/194366698.db2.gz FAYJGQSXLTYDBI-XDJHFCHBSA-N -1 0 467.550 6.173 50 0 JKAARM O=C([O-])C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004242027 194385801 /nfs/dbraw/zinc/38/58/01/194385801.db2.gz FKTSFHXFCVESHF-OAHLLOKOSA-N -1 0 455.432 5.028 50 0 JKAARM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc4ccccc4c3)c3ccccc23)c1C(=O)OC(C)C ZINC000008438962 194447382 /nfs/dbraw/zinc/44/73/82/194447382.db2.gz FSIBCRQRNPFDSW-UHFFFAOYSA-N -1 0 473.550 6.414 50 0 JKAARM COc1ccccc1C(=O)NC([N-]c1nc2ccc(C(C)C)cc2s1)(C(F)(F)F)C(F)(F)F ZINC000009016168 194506310 /nfs/dbraw/zinc/50/63/10/194506310.db2.gz PHHUVQHYALWIOW-UHFFFAOYSA-N -1 0 491.457 6.091 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000009129694 194559296 /nfs/dbraw/zinc/55/92/96/194559296.db2.gz PBYBKILGUBKWGJ-DEOSSOPVSA-N -1 0 482.540 5.373 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000009129695 194559431 /nfs/dbraw/zinc/55/94/31/194559431.db2.gz PBYBKILGUBKWGJ-XMMPIXPASA-N -1 0 482.540 5.373 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc(C(C)C)cc34)cc2)c1C ZINC000009409306 194753700 /nfs/dbraw/zinc/75/37/00/194753700.db2.gz RLOPKTYELCIJTR-UHFFFAOYSA-N -1 0 467.547 5.143 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCC(=O)[O-])Nc1ccccc1-2 ZINC000009601808 194804476 /nfs/dbraw/zinc/80/44/76/194804476.db2.gz QDKHZWGVWKPXSC-QFIPXVFZSA-N -1 0 466.563 5.178 50 0 JKAARM COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)cc1OC ZINC000009592577 194790553 /nfs/dbraw/zinc/79/05/53/194790553.db2.gz FHKIXUXHBZXMRV-UHFFFAOYSA-N -1 0 457.408 5.130 50 0 JKAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)o1 ZINC000009805609 194971409 /nfs/dbraw/zinc/97/14/09/194971409.db2.gz ZBSQVQRHOKWCKO-JAIQZWGSSA-N -1 0 453.903 5.843 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000009858049 194998697 /nfs/dbraw/zinc/99/86/97/194998697.db2.gz MQSUBPMDAFLGBZ-UHFFFAOYSA-N -1 0 473.602 5.473 50 0 JKAARM O=C([O-])c1cc(NCc2c(OCc3ccccc3)ccc3ccccc32)ccc1N1CCOCC1 ZINC000009891860 195015407 /nfs/dbraw/zinc/01/54/07/195015407.db2.gz RAFPCTNDFWXWSJ-UHFFFAOYSA-N -1 0 468.553 5.566 50 0 JKAARM O=C([O-])c1cc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000009891856 195015462 /nfs/dbraw/zinc/01/54/62/195015462.db2.gz QVOMZKFMUQVNAX-UHFFFAOYSA-N -1 0 487.383 5.719 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000009891865 195015496 /nfs/dbraw/zinc/01/54/96/195015496.db2.gz XQZNQXKPVCNCFI-UHFFFAOYSA-N -1 0 487.383 5.719 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)ccc1N1CCOCC1 ZINC000009892680 195016537 /nfs/dbraw/zinc/01/65/37/195016537.db2.gz BMDOWRLSZXMXJX-UHFFFAOYSA-N -1 0 470.928 5.205 50 0 JKAARM O=C([O-])c1cc(NCc2ccc(OCc3ccccc3Cl)cc2)ccc1N1CCOCC1 ZINC000009892660 195016556 /nfs/dbraw/zinc/01/65/56/195016556.db2.gz NVDVVVPEBLCNKR-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM O=C([O-])c1cc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1N1CCOCC1 ZINC000009906123 195017854 /nfs/dbraw/zinc/01/78/54/195017854.db2.gz IBMWUCUAIHSMLV-UHFFFAOYSA-N -1 0 487.383 5.719 50 0 JKAARM COc1ccc(C=Cc2nc(-c3ccccc3O)n(CC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000009927398 195024742 /nfs/dbraw/zinc/02/47/42/195024742.db2.gz OWLUOSGQPPPVRW-OVCLIPMQSA-N -1 0 490.357 5.475 50 0 JKAARM Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C(=O)[O-])cc4)n2)Cc2cccc(C)c2O3)cc1 ZINC000009955189 195035889 /nfs/dbraw/zinc/03/58/89/195035889.db2.gz HXSLDZGSSRWMLZ-UHFFFAOYSA-N -1 0 497.576 5.886 50 0 JKAARM Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000009934462 195027072 /nfs/dbraw/zinc/02/70/72/195027072.db2.gz PAVKBZGRDFTFCM-MTJSOVHGSA-N -1 0 490.537 5.245 50 0 JKAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000012605123 195050557 /nfs/dbraw/zinc/05/05/57/195050557.db2.gz YAXXTMQUXVGTSQ-UHFFFAOYSA-N -1 0 491.363 5.009 50 0 JKAARM COc1ccc(C2=NN(c3nc(-c4ccccc4)c(CC(=O)[O-])s3)[C@H](c3ccco3)C2)cc1 ZINC000012642773 195072114 /nfs/dbraw/zinc/07/21/14/195072114.db2.gz CFGHRAUIXLZNBY-FQEVSTJZSA-N -1 0 459.527 5.395 50 0 aggregator JKAARM COc1ccc(C2=NN(c3ccccc3)[C@@H](c3cn(CCC(=O)[O-])nc3-c3ccccc3)C2)cc1 ZINC000012661197 195081082 /nfs/dbraw/zinc/08/10/82/195081082.db2.gz FHWVFLUAZIPTFQ-AREMUKBSSA-N -1 0 466.541 5.389 50 0 JKAARM COc1ccc(C2=NN(c3ccccc3)[C@H](c3cn(CCC(=O)[O-])nc3-c3ccccc3)C2)cc1 ZINC000012661199 195081135 /nfs/dbraw/zinc/08/11/35/195081135.db2.gz FHWVFLUAZIPTFQ-SANMLTNESA-N -1 0 466.541 5.389 50 0 JKAARM O=C([O-])c1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000012731910 195099005 /nfs/dbraw/zinc/09/90/05/195099005.db2.gz GMCNHWKFYISKAZ-ZDLGFXPLSA-N -1 0 457.269 5.045 50 0 JKAARM COc1cc(C=C(Cl)c2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000012755816 195108452 /nfs/dbraw/zinc/10/84/52/195108452.db2.gz VXFPVIMTXKGQHD-YVLHZVERSA-N -1 0 496.972 5.890 50 0 JKAARM CC(=O)N(c1nc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cs1)c1ccc(F)cc1F ZINC000012762978 195112001 /nfs/dbraw/zinc/11/20/01/195112001.db2.gz GMHNALBHBYWWBN-GXDHUFHOSA-N -1 0 485.537 6.121 50 0 JKAARM O=C([O-])Cn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1cccs1 ZINC000012817570 195147845 /nfs/dbraw/zinc/14/78/45/195147845.db2.gz SUVFGUHZKAVSKK-UHFFFAOYSA-N -1 0 467.359 5.345 50 0 JKAARM Cc1cc(F)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012822898 195150004 /nfs/dbraw/zinc/15/00/04/195150004.db2.gz BQGCQTLCNOXYQB-UHFFFAOYSA-N -1 0 467.349 5.423 50 0 JKAARM COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)c1 ZINC000020604426 195180548 /nfs/dbraw/zinc/18/05/48/195180548.db2.gz GBLHJTUXWUZMGW-UHFFFAOYSA-N -1 0 457.408 5.130 50 0 JKAARM CCOc1cccc2cc(C(=O)Nc3ccc(OC)cc3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616688 195188401 /nfs/dbraw/zinc/18/84/01/195188401.db2.gz QYFPMFJIWKJMBR-FVDSYPCUSA-N -1 0 458.470 5.023 50 0 JKAARM COc1ccc(NC(=S)N(Cc2ccccc2C)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000020679336 195203491 /nfs/dbraw/zinc/20/34/91/195203491.db2.gz GHPOVVYZFAFSRG-UHFFFAOYSA-N -1 0 461.027 5.747 50 0 JKAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020718980 195206352 /nfs/dbraw/zinc/20/63/52/195206352.db2.gz LZNPCDMFCBZUGJ-RUZDIDTESA-N -1 0 486.959 5.449 50 0 JKAARM Cc1ccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccccc4)nc3c(C)c2)cc1 ZINC000021357850 195297828 /nfs/dbraw/zinc/29/78/28/195297828.db2.gz GPHAZANOLDTVOE-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5ccc(Br)cc5s4)sc3c2s1 ZINC000062007430 195419713 /nfs/dbraw/zinc/41/97/13/195419713.db2.gz AGWLABJCDVDSFH-UHFFFAOYSA-N -1 0 465.448 6.744 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000095946195 129944853 /nfs/dbraw/zinc/94/48/53/129944853.db2.gz WQXXJRKVKDILAI-NRFANRHFSA-N -1 0 469.497 5.051 50 0 JKAARM O=C([O-])CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Sc1ccc(Cl)cc1 ZINC000096174849 129982074 /nfs/dbraw/zinc/98/20/74/129982074.db2.gz VAULNRMHUJFUGY-JOCHJYFZSA-N -1 0 477.434 7.277 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1ccc(OC(F)F)cc1 ZINC000096399861 130077221 /nfs/dbraw/zinc/07/72/21/130077221.db2.gz UYLJILRWLQUMJU-ZHZULCJRSA-N -1 0 472.491 6.091 50 0 JKAARM C[C@@H]1C[C@H](C)CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000102894486 130376802 /nfs/dbraw/zinc/37/68/02/130376802.db2.gz AZUBLUCUVBKMRJ-FHSNZYRGSA-N -1 0 477.417 6.131 50 0 JKAARM C[C@@H]1C[C@H](C)CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000102894266 130376858 /nfs/dbraw/zinc/37/68/58/130376858.db2.gz SSPJSNKQBGSNTM-QWQRMKEZSA-N -1 0 487.423 5.586 50 0 JKAARM [O-]c1c([C@H](c2ccccc2Cl)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000022851885 518203675 /nfs/dbraw/zinc/20/36/75/518203675.db2.gz YMSUQRMDVLJSRI-FQEVSTJZSA-N -1 0 462.962 5.558 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)cc1 ZINC000046141429 518385645 /nfs/dbraw/zinc/38/56/45/518385645.db2.gz XPNZCWOBMNHYDE-UHFFFAOYSA-N -1 0 473.963 5.430 50 0 JKAARM CC(=O)c1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000013347433 518439263 /nfs/dbraw/zinc/43/92/63/518439263.db2.gz UHOAPBXUPASCNP-UHFFFAOYSA-N -1 0 480.571 5.252 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)c1 ZINC000065008679 518446577 /nfs/dbraw/zinc/44/65/77/518446577.db2.gz FUXDCUHCDROFIR-UHFFFAOYSA-N -1 0 451.573 5.127 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)c1 ZINC000046141455 518447340 /nfs/dbraw/zinc/44/73/40/518447340.db2.gz XRPUEMXCBHUIAR-UHFFFAOYSA-N -1 0 473.963 5.430 50 0 JKAARM CC(C)(C)Oc1ccc(C[C@@H](CCC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000014632603 518891545 /nfs/dbraw/zinc/89/15/45/518891545.db2.gz AJWCIRXNJMVOMI-OAQYLSRUSA-N -1 0 487.596 6.179 50 0 JKAARM CC(C)(C)c1cc([C@@H](c2ccc(O)cc2)c2c([O-])c3ccccc3oc2=O)cc(C(C)(C)C)c1O ZINC000006143155 519005811 /nfs/dbraw/zinc/00/58/11/519005811.db2.gz NUNBBMQIIVBESY-XMMPIXPASA-N -1 0 472.581 6.685 50 0 biogenic JKAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000069740033 519731795 /nfs/dbraw/zinc/73/17/95/519731795.db2.gz DAGUCLUFVBYYHG-UHFFFAOYSA-N -1 0 478.357 5.005 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000014089757 519757238 /nfs/dbraw/zinc/75/72/38/519757238.db2.gz YJBVHJIKNLBFDX-KOZCISAUSA-N -1 0 498.748 7.660 50 0 JKAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)N32)cc1 ZINC000011766883 519839754 /nfs/dbraw/zinc/83/97/54/519839754.db2.gz USWCTGIYKDAKAX-AOYPEHQESA-N -1 0 479.536 5.472 50 0 JKAARM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(-c3ccccc3)cc2)n1)C(=O)[O-] ZINC000040861880 520134709 /nfs/dbraw/zinc/13/47/09/520134709.db2.gz MLNIGXYHGQLWLD-FQEVSTJZSA-N -1 0 456.011 7.056 50 0 in-vitro JKAARM CC1(C)C[C@@H](C(=O)[O-])[C@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000070466442 520513842 /nfs/dbraw/zinc/51/38/42/520513842.db2.gz AOWMBRPPHGNFDX-CPZVLLQXSA-N -1 0 456.711 7.090 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253628 520543818 /nfs/dbraw/zinc/54/38/18/520543818.db2.gz REFGAHZGMZLUMW-UHFFFAOYSA-N -1 0 474.529 5.271 50 0 JKAARM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2nc(SCc3ccccc3)nc2N1 ZINC000033085476 520808942 /nfs/dbraw/zinc/80/89/42/520808942.db2.gz IVKHMSFFWPINEH-HSZRJFAPSA-N -1 0 497.580 5.196 50 0 JKAARM CCCCOc1ccc(-c2nc3sc4c(c3c(SCC(=O)[O-])n2)CC(C)(C)OC4)cc1 ZINC000002213976 520853309 /nfs/dbraw/zinc/85/33/09/520853309.db2.gz VPTAUFFRIPRUIK-UHFFFAOYSA-N -1 0 458.605 5.565 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000033048533 520863318 /nfs/dbraw/zinc/86/33/18/520863318.db2.gz KNIZQTREMBNBJV-UHFFFAOYSA-N -1 0 458.683 5.321 50 0 JKAARM CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000002094351 520980857 /nfs/dbraw/zinc/98/08/57/520980857.db2.gz HVVFCWVHDHCVLN-SFHVURJKSA-N -1 0 487.379 5.395 50 0 JKAARM CCN(CCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053676 520995841 /nfs/dbraw/zinc/99/58/41/520995841.db2.gz LBNZYTIWHPQPAB-UHFFFAOYSA-N -1 0 460.618 6.378 50 0 JKAARM CC1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Br)cc4)ccc3n2)CC1 ZINC000033260505 521037356 /nfs/dbraw/zinc/03/73/56/521037356.db2.gz PLBBGJWUJBMRQT-UHFFFAOYSA-N -1 0 468.351 5.184 50 0 JKAARM CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000016691755 521115178 /nfs/dbraw/zinc/11/51/78/521115178.db2.gz MCNSMCANRKSWLR-UHFFFAOYSA-N -1 0 458.967 5.409 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000020168150 521370455 /nfs/dbraw/zinc/37/04/55/521370455.db2.gz PJCJKCAHPFHKGV-PNGKTBNWSA-N -1 0 455.576 5.284 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(C)cc1C ZINC000033253831 521373550 /nfs/dbraw/zinc/37/35/50/521373550.db2.gz ITIGEVORHLCWDM-UHFFFAOYSA-N -1 0 452.576 5.137 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253332 521375666 /nfs/dbraw/zinc/37/56/66/521375666.db2.gz QSDQQQZSTLNHEA-UHFFFAOYSA-N -1 0 466.603 5.510 50 0 JKAARM CCOC(=O)c1c2nc3ccccc3nc2n(C2CCCCC2)c1[N-]S(=O)(=O)c1ccccc1 ZINC000006142877 521420315 /nfs/dbraw/zinc/42/03/15/521420315.db2.gz NNIYCQPXWKTHST-UHFFFAOYSA-N -1 0 478.574 5.067 50 0 JKAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297782 521521552 /nfs/dbraw/zinc/52/15/52/521521552.db2.gz QZBRUWQZSRDJGX-UHFFFAOYSA-N -1 0 450.607 5.147 50 0 JKAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000002596801 521547295 /nfs/dbraw/zinc/54/72/95/521547295.db2.gz LMGHEKJUJRFPQY-UHFFFAOYSA-N -1 0 482.949 5.004 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065010998 521554467 /nfs/dbraw/zinc/55/44/67/521554467.db2.gz PYIANBFPVJBTOJ-UHFFFAOYSA-N -1 0 484.618 5.574 50 0 JKAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1CSc1nc2ccccc2s1 ZINC000002225399 521573349 /nfs/dbraw/zinc/57/33/49/521573349.db2.gz XNPXIKYILFXHPO-UHFFFAOYSA-N -1 0 479.612 5.909 50 0 JKAARM CCSc1c(-c2ccccc2)nc2c(Br)cc(Br)cc2c1C(=O)[O-] ZINC000002138472 521732982 /nfs/dbraw/zinc/73/29/82/521732982.db2.gz DYDSTZZKSQRTCO-UHFFFAOYSA-N -1 0 467.182 6.237 50 0 JKAARM COC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 ZINC000020395044 521764980 /nfs/dbraw/zinc/76/49/80/521764980.db2.gz XASCAWRZQVFJSP-MOPGFXCFSA-N -1 0 455.576 5.513 50 0 JKAARM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2cccc(Cl)c2)n1 ZINC000009431800 521787353 /nfs/dbraw/zinc/78/73/53/521787353.db2.gz INKMJCNWDALHHW-UHFFFAOYSA-N -1 0 487.368 6.146 50 0 JKAARM CCc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010606 521912106 /nfs/dbraw/zinc/91/21/06/521912106.db2.gz ZGBPRSOGRCQKMM-UHFFFAOYSA-N -1 0 454.592 5.347 50 0 JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000006110782 522037697 /nfs/dbraw/zinc/03/76/97/522037697.db2.gz GJOPWEUNSMHLLH-INIZCTEOSA-N -1 0 466.994 6.341 50 0 JKAARM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000016448848 522059488 /nfs/dbraw/zinc/05/94/88/522059488.db2.gz XFCGNQUGGXYOFF-UHFFFAOYSA-N -1 0 493.368 5.142 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1Cl ZINC000065004612 522814940 /nfs/dbraw/zinc/81/49/40/522814940.db2.gz DEZSLIUSNWMUDF-UHFFFAOYSA-N -1 0 468.984 5.532 50 0 JKAARM COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccccc1C(=O)[O-])n1c2ccccc2nc1-3 ZINC000012445659 522919788 /nfs/dbraw/zinc/91/97/88/522919788.db2.gz AXJJPWVFQREZDS-JOCHJYFZSA-N -1 0 456.527 5.438 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4Cl)s3)no2)cc1OC ZINC000046086954 523100079 /nfs/dbraw/zinc/10/00/79/523100079.db2.gz FMXPBJDDZPBHDS-UHFFFAOYSA-N -1 0 488.978 5.408 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccc(C)cc4)s3)no2)cc1OC ZINC000046086403 523100741 /nfs/dbraw/zinc/10/07/41/523100741.db2.gz RJPHOKWXENSMGY-UHFFFAOYSA-N -1 0 468.560 5.063 50 0 JKAARM COc1ccc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)[O-])c(OC)c1 ZINC000033502253 523410684 /nfs/dbraw/zinc/41/06/84/523410684.db2.gz LTEVLAHZIBGUID-STZFKDTASA-N -1 0 466.537 5.507 50 0 JKAARM COc1ccc(Br)c(C(=O)Nc2ccc(N3[C@H](C)CCC[C@@H]3C)c(C(=O)[O-])c2)c1 ZINC000008616562 523479969 /nfs/dbraw/zinc/47/99/69/523479969.db2.gz NCDGUFQKXNBPBN-OKILXGFUSA-N -1 0 461.356 5.176 50 0 JKAARM CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)[N-]c4c(F)c(F)c(F)c(F)c4F)oc3ccc2O1 ZINC000020418246 523554886 /nfs/dbraw/zinc/55/48/86/523554886.db2.gz ZSUYRGZTYHMGGL-JOCHJYFZSA-N -1 0 453.363 5.823 50 0 JKAARM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000012525924 523627034 /nfs/dbraw/zinc/62/70/34/523627034.db2.gz MKWJRMCJBJQFAN-HXUWFJFHSA-N -1 0 470.616 5.016 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065098005 523843320 /nfs/dbraw/zinc/84/33/20/523843320.db2.gz QPLQXKDENWVQCP-UHFFFAOYSA-N -1 0 461.952 5.236 50 0 JKAARM CN1c2ccc(Br)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036353711 524032113 /nfs/dbraw/zinc/03/21/13/524032113.db2.gz OHHRUKBAVOXFOX-QFIPXVFZSA-N -1 0 483.343 5.130 50 0 JKAARM Cc1ccc(C)c(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)[O-])CC2)c1 ZINC000033078567 524128556 /nfs/dbraw/zinc/12/85/56/524128556.db2.gz RSWNMWQAPGTAOC-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM COc1ccc(C[C@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016293434 524144220 /nfs/dbraw/zinc/14/42/20/524144220.db2.gz FBNYIIFSTAZMPA-AREMUKBSSA-N -1 0 493.947 5.037 50 0 JKAARM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000013945753 524179474 /nfs/dbraw/zinc/17/94/74/524179474.db2.gz GPPNHSKMVLXQIK-UHFFFAOYSA-N -1 0 460.530 5.261 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2coc(-c3ccccc3)n2)c1 ZINC000014776585 524194182 /nfs/dbraw/zinc/19/41/82/524194182.db2.gz BRQWLXSMFMZUJT-UHFFFAOYSA-N -1 0 462.527 5.116 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)cc2)c1 ZINC000006146689 524194653 /nfs/dbraw/zinc/19/46/53/524194653.db2.gz JXCRAGOBJRFNBW-UHFFFAOYSA-N -1 0 459.365 5.119 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1 ZINC000033116493 524251777 /nfs/dbraw/zinc/25/17/77/524251777.db2.gz AYVZVCFAODLICT-UHFFFAOYSA-N -1 0 487.990 5.320 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(c2ccccn2)C2CCCCC2)c1C ZINC000006131005 524253382 /nfs/dbraw/zinc/25/33/82/524253382.db2.gz VJFXVSCYHLPFNG-UHFFFAOYSA-N -1 0 491.657 6.096 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCC2CCCCC2)(c2ccccc2)c2ccccc2)n1 ZINC000013898487 524593878 /nfs/dbraw/zinc/59/38/78/524593878.db2.gz YJAGPKXEACHSFM-AREMUKBSSA-N -1 0 474.601 5.856 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013896231 524595045 /nfs/dbraw/zinc/59/50/45/524595045.db2.gz GULRMEJABIDYNL-LEAFIULHSA-N -1 0 488.584 5.942 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccn2)C2CCCCC2)ccc1C ZINC000006131006 524642217 /nfs/dbraw/zinc/64/22/17/524642217.db2.gz YWVMAURHJYHWGJ-UHFFFAOYSA-N -1 0 479.602 5.179 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065011026 524642654 /nfs/dbraw/zinc/64/26/54/524642654.db2.gz YJOFFJMUCINYKH-UHFFFAOYSA-N -1 0 470.591 5.184 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1Cl ZINC000065010689 524683895 /nfs/dbraw/zinc/68/38/95/524683895.db2.gz FRXGOMBBPCIUJS-UHFFFAOYSA-N -1 0 491.009 5.447 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)cc1OC ZINC000046141300 524686241 /nfs/dbraw/zinc/68/62/41/524686241.db2.gz WXLZPYFYRGENEE-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000013558221 524714426 /nfs/dbraw/zinc/71/44/26/524714426.db2.gz MUCRYNWJQNHDJH-OADIDDRXSA-N -1 0 454.695 7.298 50 0 biogenic,in-vitro JKAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC(C)C)ccc3n2)CC1 ZINC000033260699 524737610 /nfs/dbraw/zinc/73/76/10/524737610.db2.gz XWNFCRPQOXEZLD-UHFFFAOYSA-N -1 0 480.996 5.206 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000022704984 524754118 /nfs/dbraw/zinc/75/41/18/524754118.db2.gz JSIKYHUXEPUCIA-OAHLLOKOSA-N -1 0 468.962 5.718 50 0 JKAARM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000020367438 524771734 /nfs/dbraw/zinc/77/17/34/524771734.db2.gz CCXTXCLNPQKASZ-UHFFFAOYSA-N -1 0 475.195 5.110 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)c(C)c4)co3)cc2)c1 ZINC000013360703 524878804 /nfs/dbraw/zinc/87/88/04/524878804.db2.gz AAIQWAFAMOMRRS-UHFFFAOYSA-N -1 0 464.543 5.443 50 0 JKAARM C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006152475 524930660 /nfs/dbraw/zinc/93/06/60/524930660.db2.gz WKDSOIPUCFMXLK-IBGZPJMESA-N -1 0 496.679 5.884 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006146629 525001831 /nfs/dbraw/zinc/00/18/31/525001831.db2.gz XVRDHTLKMPKGDO-UHFFFAOYSA-N -1 0 453.322 5.494 50 0 JKAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)[O-] ZINC000045967662 525063791 /nfs/dbraw/zinc/06/37/91/525063791.db2.gz ZGFXCFQGSPSWJJ-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252438 525075887 /nfs/dbraw/zinc/07/58/87/525075887.db2.gz RLSNDDDMIZMZQR-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)c1 ZINC000021882768 525247015 /nfs/dbraw/zinc/24/70/15/525247015.db2.gz TWQQTIOKLAKJNY-UHFFFAOYSA-N -1 0 499.596 5.153 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)cc1C ZINC000002880259 525295633 /nfs/dbraw/zinc/29/56/33/525295633.db2.gz FIZHYZRBWULMFR-UHFFFAOYSA-N -1 0 483.804 6.317 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3Br)ccc2Cl)c(C)c1 ZINC000005941732 525299677 /nfs/dbraw/zinc/29/96/77/525299677.db2.gz DFGDGMDLAFAREP-UHFFFAOYSA-N -1 0 493.810 5.772 50 0 JKAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1ccc(F)cc1 ZINC000006143030 525331517 /nfs/dbraw/zinc/33/15/17/525331517.db2.gz BARKHGYUECRPCL-LLVKDONJSA-N -1 0 473.378 5.486 50 0 JKAARM Cc1c(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000033480249 525514404 /nfs/dbraw/zinc/51/44/04/525514404.db2.gz GVNXWWUSLUHDHR-MNDPQUGUSA-N -1 0 484.552 6.633 50 0 JKAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000012252690 525634365 /nfs/dbraw/zinc/63/43/65/525634365.db2.gz WHJPMOCHTYZKNF-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc5ccc(Cl)cc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000018168571 525791926 /nfs/dbraw/zinc/79/19/26/525791926.db2.gz LERZCIHDFOKRCY-FQEVSTJZSA-N -1 0 491.982 6.705 50 0 JKAARM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008807 525888153 /nfs/dbraw/zinc/88/81/53/525888153.db2.gz CATZKWAREDMHGG-UHFFFAOYSA-N -1 0 462.959 5.112 50 0 JKAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012408677 525930093 /nfs/dbraw/zinc/93/00/93/525930093.db2.gz FSJRXUBXQCFWHR-UHFFFAOYSA-N -1 0 475.961 5.140 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010590 525942035 /nfs/dbraw/zinc/94/20/35/525942035.db2.gz XJOOIAVSDQMKJY-UHFFFAOYSA-N -1 0 475.010 5.747 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010654 525942867 /nfs/dbraw/zinc/94/28/67/525942867.db2.gz LILHNWLJLCLRPV-UHFFFAOYSA-N -1 0 468.619 5.710 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2oc1C(=O)N1CCCCCC1 ZINC000065010960 525942912 /nfs/dbraw/zinc/94/29/12/525942912.db2.gz DRPKOODWJAVTGK-UHFFFAOYSA-N -1 0 468.619 5.792 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2oc1C(=O)N1CCCC1 ZINC000065010482 525943323 /nfs/dbraw/zinc/94/33/23/525943323.db2.gz LMCWAQHNNVBWST-UHFFFAOYSA-N -1 0 460.983 5.357 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2oc1C(=O)N1CCCCCC1 ZINC000065011016 525943587 /nfs/dbraw/zinc/94/35/87/525943587.db2.gz IFGACFHBOYVQDC-UHFFFAOYSA-N -1 0 454.592 5.483 50 0 JKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc3)sc2c1 ZINC000008617992 526242523 /nfs/dbraw/zinc/24/25/23/526242523.db2.gz SBTMBBAGQKPHBU-UHFFFAOYSA-N -1 0 483.829 7.033 50 0 JKAARM [O-]c1c([C@@H](c2ccccc2F)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852119 526331037 /nfs/dbraw/zinc/33/10/37/526331037.db2.gz TZXNTVVUAUHPPH-HSZRJFAPSA-N -1 0 488.588 5.940 50 0 JKAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851971 526331051 /nfs/dbraw/zinc/33/10/51/526331051.db2.gz OOXFRYMSXWZRMA-NRFANRHFSA-N -1 0 492.004 5.321 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1ccc(-c2ccccc2)cc1 ZINC000033611706 526341620 /nfs/dbraw/zinc/34/16/20/526341620.db2.gz BCPXWDUCDZARMO-DIBXZPPDSA-N -1 0 482.583 7.156 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000015912160 526341745 /nfs/dbraw/zinc/34/17/45/526341745.db2.gz NXBPDDKSKCJUAB-MNDPQUGUSA-N -1 0 458.521 6.058 50 0 JKAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492121 526342538 /nfs/dbraw/zinc/34/25/38/526342538.db2.gz AWBWMGHRSUMSMP-UHFFFAOYSA-N -1 0 473.124 5.515 50 0 JKAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492315 526342588 /nfs/dbraw/zinc/34/25/88/526342588.db2.gz HTAZGIPJTMCJLK-UHFFFAOYSA-N -1 0 460.234 5.354 50 0 JKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2c(Br)cc(Br)cc12 ZINC000002138415 526342808 /nfs/dbraw/zinc/34/28/08/526342808.db2.gz WEGRQSGPVVMZKL-UHFFFAOYSA-N -1 0 485.957 5.888 50 0 JKAARM O=C([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3Br)[nH]2)cc1 ZINC000002921351 526359931 /nfs/dbraw/zinc/35/99/31/526359931.db2.gz GELUFFIZPVCGQI-UHFFFAOYSA-N -1 0 498.174 6.634 50 0 JKAARM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccccc4)cc2)C3=O)cc1 ZINC000004113442 526377468 /nfs/dbraw/zinc/37/74/68/526377468.db2.gz HOBRXFZWSFPAHR-UHFFFAOYSA-N -1 0 478.460 5.230 50 0 JKAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccc(Br)cc2)c1 ZINC000016115671 526391191 /nfs/dbraw/zinc/39/11/91/526391191.db2.gz IYSXLQUAOPZRLO-UDWIEESQSA-N -1 0 499.748 5.210 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)s2)c1NC(=O)C1CC1 ZINC000033306644 526459089 /nfs/dbraw/zinc/45/90/89/526459089.db2.gz IINWGJYGBHMRIH-ZRDIBKRKSA-N -1 0 471.604 5.488 50 0 JKAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1C ZINC000033306738 526477050 /nfs/dbraw/zinc/47/70/50/526477050.db2.gz QADUVPZAJLLYRW-UHFFFAOYSA-N -1 0 454.415 5.244 50 0 JKAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000033120988 526556757 /nfs/dbraw/zinc/55/67/57/526556757.db2.gz BWVLQPDVIFHKNV-UHFFFAOYSA-N -1 0 472.570 5.216 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)sc1C(=O)N1CCCCC1 ZINC000065117119 526624027 /nfs/dbraw/zinc/62/40/27/526624027.db2.gz ZJTDWZLPPSDPBA-UHFFFAOYSA-N -1 0 475.661 5.224 50 0 JKAARM O=C(c1ccc(S(=O)(=O)[O-])cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000095481742 526711993 /nfs/dbraw/zinc/71/19/93/526711993.db2.gz BVNCVADDZKIAMF-XQEAGORVSA-N -1 0 472.566 5.370 50 0 JKAARM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000008648599 526842731 /nfs/dbraw/zinc/84/27/31/526842731.db2.gz QTMYODVFMUAUDV-UHFFFAOYSA-N -1 0 491.783 6.909 50 0 JKAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]C(=S)N=[S@](C)(=O)c1ccc(Cl)cc1 ZINC000020442953 526844043 /nfs/dbraw/zinc/84/40/43/526844043.db2.gz AJJYMSNQEOYVKQ-SSEXGKCCSA-N -1 0 486.377 5.268 50 0 JKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1-c1cc(C(F)(F)F)on1 ZINC000033299329 526875548 /nfs/dbraw/zinc/87/55/48/526875548.db2.gz WVSUABIDZMTGAK-UHFFFAOYSA-N -1 0 450.891 5.801 50 0 JKAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000020435902 527017882 /nfs/dbraw/zinc/01/78/82/527017882.db2.gz JZFPMFOCNMYFBK-UHFFFAOYSA-N -1 0 455.363 5.185 50 0 JKAARM NC(=O)c1c([N-]C(NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 ZINC000002050116 527020630 /nfs/dbraw/zinc/02/06/30/527020630.db2.gz YTLILPFXMGWRJP-UHFFFAOYSA-N -1 0 499.864 5.042 50 0 JKAARM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006146948 527109282 /nfs/dbraw/zinc/10/92/82/527109282.db2.gz CEOHSVFROWXMKU-UHFFFAOYSA-N -1 0 490.195 6.353 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023156971 527205087 /nfs/dbraw/zinc/20/50/87/527205087.db2.gz MWXKEQRATKFLCY-LJQANCHMSA-N -1 0 474.417 5.023 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626420 527205607 /nfs/dbraw/zinc/20/56/07/527205607.db2.gz CHOMAMFINJPFQZ-OAQYLSRUSA-N -1 0 487.456 6.156 50 0 JKAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627123 527206605 /nfs/dbraw/zinc/20/66/05/527206605.db2.gz MMMQRBSMSLCAMX-LJQANCHMSA-N -1 0 474.417 5.023 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023156969 527207133 /nfs/dbraw/zinc/20/71/33/527207133.db2.gz MWXKEQRATKFLCY-IBGZPJMESA-N -1 0 474.417 5.023 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1cccs1 ZINC000033120984 527247701 /nfs/dbraw/zinc/24/77/01/527247701.db2.gz MRJJUSAIJYDKBT-UHFFFAOYSA-N -1 0 459.596 5.673 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000009009347 527259034 /nfs/dbraw/zinc/25/90/34/527259034.db2.gz FYCTWXCWHANYPQ-UHFFFAOYSA-N -1 0 493.803 6.003 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl ZINC000017246140 527259164 /nfs/dbraw/zinc/25/91/64/527259164.db2.gz HYHOHNXAJGSYIT-UHFFFAOYSA-N -1 0 489.340 5.210 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000002436245 527259196 /nfs/dbraw/zinc/25/91/96/527259196.db2.gz FQPWXTFNAKEQLN-UHFFFAOYSA-N -1 0 488.594 5.815 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000017207964 527259464 /nfs/dbraw/zinc/25/94/64/527259464.db2.gz GJQXXYXMAXHEGU-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000020394263 527522943 /nfs/dbraw/zinc/52/29/43/527522943.db2.gz QOFGFJFAZXUVIO-AREMUKBSSA-N -1 0 461.525 5.514 50 0 JKAARM O=C([O-])C1(c2cccc3ccccc32)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000044122502 527560370 /nfs/dbraw/zinc/56/03/70/527560370.db2.gz LWIHHXOSAQLJHG-UHFFFAOYSA-N -1 0 477.560 6.207 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc5ccccc5c4)c(Cl)c1=O)(C3)C2 ZINC000016545853 527569857 /nfs/dbraw/zinc/56/98/57/527569857.db2.gz YYDPCZNAYOEUGS-PISAZTPISA-N -1 0 463.965 5.564 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccc(F)cc4Cl)c(Cl)c1=O)(C3)C2 ZINC000013520228 527570327 /nfs/dbraw/zinc/57/03/27/527570327.db2.gz NINIJFNJRWWWII-KCTCVGQSSA-N -1 0 480.367 5.072 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccccc3Cl)CCC[C@@H]2[C@H]1c1ccccc1Cl ZINC000033742222 527571698 /nfs/dbraw/zinc/57/16/98/527571698.db2.gz ALXMPPFYNAVIHA-TWNBJZMYSA-N -1 0 457.357 5.981 50 0 JKAARM O=C([O-])Cc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000023002849 527640648 /nfs/dbraw/zinc/64/06/48/527640648.db2.gz GSRZURGJJVIDGJ-UHFFFAOYSA-N -1 0 455.491 6.003 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002564728 527647958 /nfs/dbraw/zinc/64/79/58/527647958.db2.gz QNVHCYWPXIGFGN-JOCHJYFZSA-N -1 0 456.325 5.528 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc2)c1C ZINC000000634084 553720043 /nfs/dbraw/zinc/72/00/43/553720043.db2.gz YCEJFOSSJLJUAW-UHFFFAOYSA-N -1 0 459.911 5.053 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2)n1 ZINC000000643763 553724917 /nfs/dbraw/zinc/72/49/17/553724917.db2.gz SECJHZYRKYNZGB-UHFFFAOYSA-N -1 0 469.567 5.209 50 0 JKAARM Cc1c(C)c(NC(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000000719225 553770972 /nfs/dbraw/zinc/77/09/72/553770972.db2.gz DDWSYVAVUIFQIP-UHFFFAOYSA-N -1 0 450.343 5.401 50 0 JKAARM Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000000719265 553771221 /nfs/dbraw/zinc/77/12/21/553771221.db2.gz FSEWSACCMMQZHO-UHFFFAOYSA-N -1 0 450.343 5.401 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000000728465 553774840 /nfs/dbraw/zinc/77/48/40/553774840.db2.gz KSSSTCBGGJYWJG-UHFFFAOYSA-N -1 0 460.946 5.981 50 0 JKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000000758828 553777986 /nfs/dbraw/zinc/77/79/86/553777986.db2.gz KPRRHMGCDIQGDW-UHFFFAOYSA-N -1 0 476.576 5.599 50 0 JKAARM O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000000762964 553778255 /nfs/dbraw/zinc/77/82/55/553778255.db2.gz MQDXJDFUBJJHIB-UHFFFAOYSA-N -1 0 471.749 5.406 50 0 JKAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000000784904 553780738 /nfs/dbraw/zinc/78/07/38/553780738.db2.gz SNHNZCMOSVVRHT-OLILMLBXSA-N -1 0 497.551 5.505 50 0 JKAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000000784901 553780761 /nfs/dbraw/zinc/78/07/61/553780761.db2.gz SNHNZCMOSVVRHT-AFJIDDCJSA-N -1 0 497.551 5.505 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(-c4ccc(C)cc4)cc3)cc2)c1C ZINC000000864982 553804085 /nfs/dbraw/zinc/80/40/85/553804085.db2.gz DADBQTWTGDRNPM-UHFFFAOYSA-N -1 0 491.569 5.085 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000939282 553875817 /nfs/dbraw/zinc/87/58/17/553875817.db2.gz AMORGZSIAMHTFW-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM O=C([N-]S(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 ZINC000000987823 553893985 /nfs/dbraw/zinc/89/39/85/553893985.db2.gz FZWYQSFCLNVFLX-UHFFFAOYSA-N -1 0 488.805 5.703 50 0 JKAARM O=C([N-]S(=O)(=O)c1cnccc1Sc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000000987778 553894077 /nfs/dbraw/zinc/89/40/77/553894077.db2.gz DUMZBKOHTCOYEQ-UHFFFAOYSA-N -1 0 473.790 5.312 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)cc1C ZINC000001062206 553903472 /nfs/dbraw/zinc/90/34/72/553903472.db2.gz VMTUUZHMTBREFE-UHFFFAOYSA-N -1 0 463.386 5.972 50 0 JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@@H](c4ccco4)C3)c(-c3ccccc3)c2c1 ZINC000001077320 553904529 /nfs/dbraw/zinc/90/45/29/553904529.db2.gz UAPUFADEBJNDIG-OAQYLSRUSA-N -1 0 469.497 5.051 50 0 JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000001270692 553939436 /nfs/dbraw/zinc/93/94/36/553939436.db2.gz YPXRBDNNCPTQJX-HNNXBMFYSA-N -1 0 490.614 5.692 50 0 JKAARM O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000001920041 554004915 /nfs/dbraw/zinc/00/49/15/554004915.db2.gz RZWJXYDQRITRDD-UHFFFAOYSA-N -1 0 493.173 8.204 50 0 JKAARM O=C(Nc1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000001919880 554004999 /nfs/dbraw/zinc/00/49/99/554004999.db2.gz CHWKQPBTHUPXCK-UHFFFAOYSA-N -1 0 499.575 6.598 50 0 in-vitro JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002107861 554047647 /nfs/dbraw/zinc/04/76/47/554047647.db2.gz ZCLULMKLHSYXEH-QFIPXVFZSA-N -1 0 495.959 5.171 50 0 biogenic JKAARM Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(C(=O)[O-])cc2)Nc2ccccc2-3)cc1 ZINC000002113848 554052240 /nfs/dbraw/zinc/05/22/40/554052240.db2.gz GDJSUWKILGVFCJ-QFIPXVFZSA-N -1 0 456.527 5.341 50 0 JKAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000002114197 554052582 /nfs/dbraw/zinc/05/25/82/554052582.db2.gz FDPKNDPIJLVNRD-MHZLTWQESA-N -1 0 481.504 5.308 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002114405 554052600 /nfs/dbraw/zinc/05/26/00/554052600.db2.gz DAGOAVSUQGITBR-UHFFFAOYSA-N -1 0 475.541 5.435 50 0 biogenic JKAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002114672 554052897 /nfs/dbraw/zinc/05/28/97/554052897.db2.gz SGVHWQRSHRTFGC-QFIPXVFZSA-N -1 0 475.541 5.434 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])occ3C(C)(C)C ZINC000002115717 554053191 /nfs/dbraw/zinc/05/31/91/554053191.db2.gz OFUVVQPMUPIKHX-NRFANRHFSA-N -1 0 495.959 5.153 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002118307 554054226 /nfs/dbraw/zinc/05/42/26/554054226.db2.gz AWJZOZKJBPDQNT-ZLOXQWCVSA-N -1 0 479.504 5.120 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002118356 554054473 /nfs/dbraw/zinc/05/44/73/554054473.db2.gz HFJCNLSSRQHZIB-QHCPKHFHSA-N -1 0 489.568 5.680 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002120802 554055632 /nfs/dbraw/zinc/05/56/32/554055632.db2.gz IVZUZOQBVDDKLQ-SANMLTNESA-N -1 0 495.531 5.616 50 0 biogenic JKAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002123685 554057373 /nfs/dbraw/zinc/05/73/73/554057373.db2.gz QPZDTKKDUPVARU-NRFANRHFSA-N -1 0 461.514 5.043 50 0 biogenic JKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc12 ZINC000002125433 554058027 /nfs/dbraw/zinc/05/80/27/554058027.db2.gz LKNVYLSSXUYCFK-UHFFFAOYSA-N -1 0 495.959 5.780 50 0 biogenic JKAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002153335 554071089 /nfs/dbraw/zinc/07/10/89/554071089.db2.gz NEMNQSJWPJSODF-UHFFFAOYSA-N -1 0 487.552 5.373 50 0 biogenic JKAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc12 ZINC000002153995 554071474 /nfs/dbraw/zinc/07/14/74/554071474.db2.gz FUONMYWBQDHFJE-UHFFFAOYSA-N -1 0 461.514 5.127 50 0 biogenic JKAARM COc1ccc(/C=C/C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1 ZINC000002158373 554073474 /nfs/dbraw/zinc/07/34/74/554073474.db2.gz JWOVJJNUSJMRKF-NYYWCZLTSA-N -1 0 458.333 5.536 50 0 JKAARM CCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002196986 554089659 /nfs/dbraw/zinc/08/96/59/554089659.db2.gz QBQNWFGLNFHCPI-UHFFFAOYSA-N -1 0 482.993 6.007 50 0 JKAARM CCOC(=O)c1sc([N-]c2ncc(C(=O)OCC)c(CSc3ccc(Cl)cc3)n2)nc1C ZINC000002204167 554092168 /nfs/dbraw/zinc/09/21/68/554092168.db2.gz RRGWRINVTFCAOV-UHFFFAOYSA-N -1 0 493.010 5.284 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2Cl)cc1 ZINC000002273786 554128196 /nfs/dbraw/zinc/12/81/96/554128196.db2.gz ZOYLXNNOCCOXRM-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000002274869 554128537 /nfs/dbraw/zinc/12/85/37/554128537.db2.gz ZBZYIZJFKKDYNA-UHFFFAOYSA-N -1 0 473.327 5.076 50 0 JKAARM COc1ccc(-c2nnc(Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c3ccccc32)cc1 ZINC000002291590 554135704 /nfs/dbraw/zinc/13/57/04/554135704.db2.gz AAQNIDPVFJWWOB-UHFFFAOYSA-N -1 0 489.582 5.306 50 0 JKAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002359189 554165059 /nfs/dbraw/zinc/16/50/59/554165059.db2.gz IDIQKSGHYPXZBE-UHFFFAOYSA-N -1 0 482.949 5.004 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc2ccc(Cl)cc21 ZINC000002377219 554174064 /nfs/dbraw/zinc/17/40/64/554174064.db2.gz CIQFAVNHTGRZCV-UHFFFAOYSA-N -1 0 452.215 7.186 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002384079 554176810 /nfs/dbraw/zinc/17/68/10/554176810.db2.gz VCSOWSBEOWHRTM-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002384757 554176998 /nfs/dbraw/zinc/17/69/98/554176998.db2.gz JAUKCFULLJFBFN-VWLOTQADSA-N -1 0 459.542 5.398 50 0 in-vitro JKAARM O=C([O-])[C@H](Cc1ccc(Oc2ccc(O)cc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386068 554177523 /nfs/dbraw/zinc/17/75/23/554177523.db2.gz LFDWCUHMDBIXPE-NDEPHWFRSA-N -1 0 495.531 5.719 50 0 JKAARM O=C([O-])C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385888 554177543 /nfs/dbraw/zinc/17/75/43/554177543.db2.gz SHSVTUCIAQWRSI-GOSISDBHSA-N -1 0 469.459 5.630 50 0 JKAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002407220 554189523 /nfs/dbraw/zinc/18/95/23/554189523.db2.gz GYVLQDOJMOHBOP-UHFFFAOYSA-N -1 0 482.949 5.004 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002415939 554195062 /nfs/dbraw/zinc/19/50/62/554195062.db2.gz GFLDESQVUUEMKA-UHFFFAOYSA-N -1 0 490.614 5.522 50 0 JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002416491 554195331 /nfs/dbraw/zinc/19/53/31/554195331.db2.gz YJZWPHXTJFKHGZ-UHFFFAOYSA-N -1 0 482.978 5.141 50 0 JKAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002445480 554212573 /nfs/dbraw/zinc/21/25/73/554212573.db2.gz BJBLAMXXHBPUDD-UHFFFAOYSA-N -1 0 478.961 5.325 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000002503187 554229999 /nfs/dbraw/zinc/22/99/99/554229999.db2.gz RSWWFKCEWIPUHN-UHFFFAOYSA-N -1 0 476.539 5.004 50 0 JKAARM Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)c2)cc1 ZINC000002511318 554231808 /nfs/dbraw/zinc/23/18/08/554231808.db2.gz AXXSCCODRAGWDW-UHFFFAOYSA-N -1 0 482.511 5.730 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002556732 554235976 /nfs/dbraw/zinc/23/59/76/554235976.db2.gz VSGACONKQRJFGX-NDEPHWFRSA-N -1 0 463.533 5.888 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560906 554236008 /nfs/dbraw/zinc/23/60/08/554236008.db2.gz SYOBJKCXNRQOGA-MUUNZHRXSA-N -1 0 491.543 5.452 50 0 JKAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575634 554236992 /nfs/dbraw/zinc/23/69/92/554236992.db2.gz UAGBOWBNDBDJMF-KRWDZBQOSA-N -1 0 470.352 5.918 50 0 JKAARM COc1ccc2[nH]c(C)c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1 ZINC000002583092 554237658 /nfs/dbraw/zinc/23/76/58/554237658.db2.gz SRRMFPYHTJBBIA-SANMLTNESA-N -1 0 470.525 5.019 50 0 JKAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)[O-] ZINC000002584026 554237917 /nfs/dbraw/zinc/23/79/17/554237917.db2.gz WTLSDEYZKFJXFT-SANMLTNESA-N -1 0 473.569 5.741 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000002585899 554238196 /nfs/dbraw/zinc/23/81/96/554238196.db2.gz CUOIPSCYWJDJNE-JOCHJYFZSA-N -1 0 455.432 5.760 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000002585892 554238209 /nfs/dbraw/zinc/23/82/09/554238209.db2.gz YOGSOMNKKBEWAJ-QFIPXVFZSA-N -1 0 455.432 5.760 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Cl)c1Cl ZINC000002585874 554238279 /nfs/dbraw/zinc/23/82/79/554238279.db2.gz JBFKUGQWZXNAMM-NRFANRHFSA-N -1 0 456.325 6.048 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000002589182 554238426 /nfs/dbraw/zinc/23/84/26/554238426.db2.gz ROHOTOANXFIWCH-UHFFFAOYSA-N -1 0 493.803 6.443 50 0 JKAARM O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002661018 554274495 /nfs/dbraw/zinc/27/44/95/554274495.db2.gz INDZNDKWJQCJGS-UHFFFAOYSA-N -1 0 490.031 5.481 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002759615 554330915 /nfs/dbraw/zinc/33/09/15/554330915.db2.gz VOHSMKCPQCVCFX-OALUTQOASA-N -1 0 469.603 5.803 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002759192 554330925 /nfs/dbraw/zinc/33/09/25/554330925.db2.gz ZXQJHUDEFZFWLW-UXHICEINSA-N -1 0 469.603 5.704 50 0 JKAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002783063 554342717 /nfs/dbraw/zinc/34/27/17/554342717.db2.gz IQXMTAGKSKCIEY-RTBURBONSA-N -1 0 454.592 5.332 50 0 JKAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000002801977 554353713 /nfs/dbraw/zinc/35/37/13/554353713.db2.gz MLHOAQFSUKUJPY-UHFFFAOYSA-N -1 0 461.930 5.380 50 0 JKAARM Cc1nn(C[C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1Cl ZINC000002809373 554359345 /nfs/dbraw/zinc/35/93/45/554359345.db2.gz NLIJUHDWGGBMDX-NSHDSACASA-N -1 0 480.400 5.589 50 0 JKAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3ccccc31)cc2Br ZINC000002840514 554372437 /nfs/dbraw/zinc/37/24/37/554372437.db2.gz FVSSIPPKCHSYOL-UHFFFAOYSA-N -1 0 458.333 5.660 50 0 JKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSC2CCCCC2)ccc1Cl ZINC000002880934 554402584 /nfs/dbraw/zinc/40/25/84/554402584.db2.gz HFWUMXAHVXCYEH-UHFFFAOYSA-N -1 0 467.056 5.245 50 0 JKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1Cl ZINC000002881004 554402984 /nfs/dbraw/zinc/40/29/84/554402984.db2.gz JAXOJMNNMNTKDZ-UHFFFAOYSA-N -1 0 476.985 6.369 50 0 aggregator JKAARM O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000002969725 554413762 /nfs/dbraw/zinc/41/37/62/554413762.db2.gz LDSNHHXZKDCHAI-UHFFFAOYSA-N -1 0 453.995 5.007 50 0 JKAARM O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051839 554424461 /nfs/dbraw/zinc/42/44/61/554424461.db2.gz FPSVJIPOXJJJEZ-UHFFFAOYSA-N -1 0 453.995 5.007 50 0 JKAARM Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000003175077 554428229 /nfs/dbraw/zinc/42/82/29/554428229.db2.gz UOSYQMXVYDLNBL-UHFFFAOYSA-N -1 0 495.582 5.062 50 0 JKAARM Cc1ccc(S(=O)(=O)N(c2cc(Cl)c([O-])c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000003177744 554428604 /nfs/dbraw/zinc/42/86/04/554428604.db2.gz PQZLNJWAAIMSEP-UHFFFAOYSA-N -1 0 496.349 6.161 50 0 JKAARM O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000003187656 554428954 /nfs/dbraw/zinc/42/89/54/554428954.db2.gz RZMKWDYICKFNRT-UHFFFAOYSA-N -1 0 486.418 5.360 50 0 JKAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2c(Br)cc(Br)cc12 ZINC000003209255 554431383 /nfs/dbraw/zinc/43/13/83/554431383.db2.gz HLZQDVZTVXDGRT-UHFFFAOYSA-N -1 0 473.067 5.726 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)c1C ZINC000003215757 554431586 /nfs/dbraw/zinc/43/15/86/554431586.db2.gz JTVSCLRBKZUFAB-UHFFFAOYSA-N -1 0 490.669 5.816 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCc2ccccc21)c1ccc(Br)cc1 ZINC000003220640 554432440 /nfs/dbraw/zinc/43/24/40/554432440.db2.gz PITLVLBDKBSQFO-UHFFFAOYSA-N -1 0 495.402 5.277 50 0 JKAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1C(F)(F)F ZINC000003287305 554443800 /nfs/dbraw/zinc/44/38/00/554443800.db2.gz PHNFUSUDPQJCSE-UHFFFAOYSA-N -1 0 452.420 5.515 50 0 JKAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003328233 554452263 /nfs/dbraw/zinc/45/22/63/554452263.db2.gz UJSHHRZVZQSIHH-UHFFFAOYSA-N -1 0 489.420 5.561 50 0 JKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000003328415 554452473 /nfs/dbraw/zinc/45/24/73/554452473.db2.gz MLLFZPDOIUNTTM-UHFFFAOYSA-N -1 0 489.420 5.561 50 0 JKAARM CC[C@H](C)c1ccc(-n2c(SCC(=O)Nc3ccccc3C(=O)[O-])nc3ccccc3c2=O)cc1 ZINC000003448044 554464920 /nfs/dbraw/zinc/46/49/20/554464920.db2.gz XYVIKTKAMWPINC-KRWDZBQOSA-N -1 0 487.581 5.328 50 0 JKAARM CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003782183 554470939 /nfs/dbraw/zinc/47/09/39/554470939.db2.gz IEKOTSCYBBDIJC-LJQANCHMSA-N -1 0 459.414 5.166 50 0 world JKAARM O=C([O-])C1=CC(=[NH+][N-]c2ccc(S(=O)(=O)[O-])cc2)C=C(N=Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004583948 554478745 /nfs/dbraw/zinc/47/87/45/554478745.db2.gz MRNBDIGPVRKDOB-UHFFFAOYSA-N -1 0 471.407 5.076 50 0 JKAARM C[C@@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000006023418 554500238 /nfs/dbraw/zinc/50/02/38/554500238.db2.gz IBBPUCAIWJKPKA-OAHLLOKOSA-N -1 0 483.391 5.366 50 0 JKAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006144284 554509887 /nfs/dbraw/zinc/50/98/87/554509887.db2.gz JILFUSIOPCHQCD-LBPRGKRZSA-N -1 0 499.397 5.040 50 0 JKAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000006144535 554510269 /nfs/dbraw/zinc/51/02/69/554510269.db2.gz AHIFDVPPABCIJE-CQSZACIVSA-N -1 0 478.353 5.222 50 0 JKAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000006146781 554510700 /nfs/dbraw/zinc/51/07/00/554510700.db2.gz RGRBYPDFWDJDIY-UHFFFAOYSA-N -1 0 459.365 5.119 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)cc2F)c1 ZINC000006146695 554510799 /nfs/dbraw/zinc/51/07/99/554510799.db2.gz VBLVMYOWRISBPN-UHFFFAOYSA-N -1 0 477.355 5.258 50 0 JKAARM CSc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000006146479 554510814 /nfs/dbraw/zinc/51/08/14/554510814.db2.gz IYNYLVIHEIHEEJ-UHFFFAOYSA-N -1 0 477.405 5.224 50 0 JKAARM O=c1c(Sc2cc(Cl)c(Cl)cc2Cl)c([O-])c2c(n1-c1ccccc1)CCCC2 ZINC000008384867 554567766 /nfs/dbraw/zinc/56/77/66/554567766.db2.gz LTXXXVMJYQJCEF-UHFFFAOYSA-N -1 0 452.790 6.533 50 0 JKAARM CC1(C)CC(=O)c2c([O-])c(Sc3ccc(Cl)cc3)c(=O)n(-c3cccc(Cl)c3)c2C1 ZINC000008384800 554567808 /nfs/dbraw/zinc/56/78/08/554567808.db2.gz CNJMDJNUKLALLG-UHFFFAOYSA-N -1 0 460.382 6.156 50 0 JKAARM Cc1c([O-])c(Sc2cc(Cl)c(Cl)cc2Cl)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000008384886 554568068 /nfs/dbraw/zinc/56/80/68/554568068.db2.gz AXCLPGDCPBTHHI-UHFFFAOYSA-N -1 0 488.823 7.630 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000008396521 554571434 /nfs/dbraw/zinc/57/14/34/554571434.db2.gz UCBUARSUACLJAZ-BUVRLJJBSA-N -1 0 498.922 5.868 50 0 JKAARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2Cl)cc1 ZINC000008437701 554588634 /nfs/dbraw/zinc/58/86/34/554588634.db2.gz TUTJSYMYPNACRG-UUYOSTAYSA-N -1 0 497.931 5.993 50 0 JKAARM COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c(Cl)cc1OCC(=O)[O-] ZINC000008444151 554593661 /nfs/dbraw/zinc/59/36/61/554593661.db2.gz WSHVWEFJROOJBT-JOCHJYFZSA-N -1 0 473.312 5.237 50 0 JKAARM CC(C)C(=O)Oc1ccc(C(c2ccc(OC(=O)C(C)C)cc2)c2ccccc2C(=O)[O-])cc1 ZINC000008452252 554598201 /nfs/dbraw/zinc/59/82/01/554598201.db2.gz KWMBLROKOWWCBZ-UHFFFAOYSA-N -1 0 460.526 5.688 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000008455886 554600131 /nfs/dbraw/zinc/60/01/31/554600131.db2.gz TWPDCEJRGGNGBO-VQTJNVASSA-N -1 0 471.619 5.928 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000008455819 554600140 /nfs/dbraw/zinc/60/01/40/554600140.db2.gz DVEXRUJJXLNOLZ-BVNNNZQISA-N -1 0 496.412 5.973 50 0 JKAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008455889 554600143 /nfs/dbraw/zinc/60/01/43/554600143.db2.gz QJRWJSAEZKPDSG-MOPGFXCFSA-N -1 0 451.544 5.575 50 0 JKAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008455891 554600156 /nfs/dbraw/zinc/60/01/56/554600156.db2.gz QJRWJSAEZKPDSG-RTBURBONSA-N -1 0 451.544 5.575 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000008455885 554600159 /nfs/dbraw/zinc/60/01/59/554600159.db2.gz TWPDCEJRGGNGBO-WOJBJXKFSA-N -1 0 471.619 5.928 50 0 JKAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000008757186 554659750 /nfs/dbraw/zinc/65/97/50/554659750.db2.gz MOBXLEIQGLQUPX-UHFFFAOYSA-N -1 0 453.541 5.068 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000008762511 554662202 /nfs/dbraw/zinc/66/22/02/554662202.db2.gz JHROCXRVEIGATO-VCYKSATISA-N -1 0 451.648 5.035 50 0 biogenic JKAARM O=C([O-])c1cnn(-c2nc(-c3ccccc3)c(Sc3ccc(Cl)cc3)s2)c1C(F)(F)F ZINC000008781564 554678645 /nfs/dbraw/zinc/67/86/45/554678645.db2.gz DTZZMCWECVANKI-UHFFFAOYSA-N -1 0 481.908 6.517 50 0 JKAARM CCc1c(-c2ccc(-c3ccccc3Cl)o2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000008819031 554703520 /nfs/dbraw/zinc/70/35/20/554703520.db2.gz IACGXTWUVPIFLT-UHFFFAOYSA-N -1 0 456.723 6.838 50 0 JKAARM CCCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000008836447 554736320 /nfs/dbraw/zinc/73/63/20/554736320.db2.gz CGBKBUZOPNYTIO-UHFFFAOYSA-N -1 0 476.558 5.131 50 0 JKAARM O=S(=O)([N-]c1nccs1)c1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000008843373 554740698 /nfs/dbraw/zinc/74/06/98/554740698.db2.gz YZWPRQZCSOFKEU-UHFFFAOYSA-N -1 0 450.467 5.255 50 0 JKAARM CCCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000008870372 554765128 /nfs/dbraw/zinc/76/51/28/554765128.db2.gz WYZIPOVBSLITJS-UHFFFAOYSA-N -1 0 466.559 5.746 50 0 JKAARM CCC(C)(C)[C@H]1CCc2oc3cc(C)c([N-]S(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000008870420 554765415 /nfs/dbraw/zinc/76/54/15/554765415.db2.gz PPOSJIFTJHNCCX-IBGZPJMESA-N -1 0 462.615 6.631 50 0 JKAARM Cc1cc2oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000008877002 554772269 /nfs/dbraw/zinc/77/22/69/554772269.db2.gz YOSYSKMYCFQHCS-UHFFFAOYSA-N -1 0 461.514 5.127 50 0 biogenic JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2nc(SC(C)C)ncc2Cl)cc1 ZINC000008916972 554811692 /nfs/dbraw/zinc/81/16/92/554811692.db2.gz UXIYXIIFAWUHRN-UHFFFAOYSA-N -1 0 480.977 6.190 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000008922927 554819934 /nfs/dbraw/zinc/81/99/34/554819934.db2.gz XDBFNGCWAOAKFD-CLOONOSVSA-N -1 0 494.931 5.306 50 0 JKAARM O=C([O-])c1ccccc1Nc1nc(-c2ccccc2)c(Oc2ccccc2)c(-c2ccccc2)n1 ZINC000008951501 554834422 /nfs/dbraw/zinc/83/44/22/554834422.db2.gz MLJKWZJNESVXRG-UHFFFAOYSA-N -1 0 459.505 7.045 50 0 JKAARM Cc1cc2nc([N-]C(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2cc1C ZINC000009009791 554863234 /nfs/dbraw/zinc/86/32/34/554863234.db2.gz OKSHPRNWHMTPHZ-UHFFFAOYSA-N -1 0 475.458 5.895 50 0 JKAARM Cc1nc2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(F)cc3)cc2s1 ZINC000009009728 554863283 /nfs/dbraw/zinc/86/32/83/554863283.db2.gz WJOSOJKHSDGCCU-UHFFFAOYSA-N -1 0 465.535 5.231 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000009033371 554867581 /nfs/dbraw/zinc/86/75/81/554867581.db2.gz CSBNJXPGMPRBHA-KBMIEXCESA-N -1 0 494.931 5.306 50 0 biogenic JKAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000009043792 554869777 /nfs/dbraw/zinc/86/97/77/554869777.db2.gz LEVUPIPVWBNAMN-NRFANRHFSA-N -1 0 486.355 5.483 50 0 JKAARM O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccc(F)c1 ZINC000009076142 554887403 /nfs/dbraw/zinc/88/74/03/554887403.db2.gz UFNBLNQQMUYBNZ-UHFFFAOYSA-N -1 0 486.322 5.229 50 0 JKAARM CC(C)c1ccc2nc([N-]C(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000009090028 554890963 /nfs/dbraw/zinc/89/09/63/554890963.db2.gz QZDGREQWCWOAMP-UHFFFAOYSA-N -1 0 489.485 6.402 50 0 JKAARM COC(=O)[C@@]([N-]c1nc2ccc(C)cc2s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000009111292 554898540 /nfs/dbraw/zinc/89/85/40/554898540.db2.gz CVTOQKCXXFWZIT-SFHVURJKSA-N -1 0 492.306 5.185 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc2Cl)cc1 ZINC000009116232 554903712 /nfs/dbraw/zinc/90/37/12/554903712.db2.gz NARXYFABNIFBQT-UHFFFAOYSA-N -1 0 488.968 5.093 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1cccc(C(=O)[O-])c1)C(=O)C2 ZINC000009198781 554970179 /nfs/dbraw/zinc/97/01/79/554970179.db2.gz CXFHXDOVUUBVDR-VWLOTQADSA-N -1 0 465.933 5.514 50 0 JKAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2cccc3ccccc32)cc1 ZINC000009233156 555005697 /nfs/dbraw/zinc/00/56/97/555005697.db2.gz FMSWVCVSDMFNFC-UHFFFAOYSA-N -1 0 470.510 5.110 50 0 JKAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000009235116 555008751 /nfs/dbraw/zinc/00/87/51/555008751.db2.gz JVWXUQOXNQXSLR-HSZRJFAPSA-N -1 0 463.331 5.378 50 0 JKAARM O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c3ccccc32)c1 ZINC000009265316 555041095 /nfs/dbraw/zinc/04/10/95/555041095.db2.gz OGIPSDDXPHUABR-ZVHZXABRSA-N -1 0 474.582 6.004 50 0 JKAARM O=C([O-])CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009288511 555062488 /nfs/dbraw/zinc/06/24/88/555062488.db2.gz HFBAJRLMJHFAFC-HSZRJFAPSA-N -1 0 451.309 5.772 50 0 JKAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000009301010 555074640 /nfs/dbraw/zinc/07/46/40/555074640.db2.gz NFWZCZMLTAOMHS-FQEVSTJZSA-N -1 0 472.328 5.093 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000009344634 555110071 /nfs/dbraw/zinc/11/00/71/555110071.db2.gz ZGRJNXMNHUFRBC-QFIPXVFZSA-N -1 0 499.618 7.041 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000009354788 555119153 /nfs/dbraw/zinc/11/91/53/555119153.db2.gz WHAFXHJLUHBYQB-UHFFFAOYSA-N -1 0 491.638 6.097 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000009354792 555119171 /nfs/dbraw/zinc/11/91/71/555119171.db2.gz UYRZYVCDOVSGLV-UHFFFAOYSA-N -1 0 455.586 5.233 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c(C)c1 ZINC000009356415 555121319 /nfs/dbraw/zinc/12/13/19/555121319.db2.gz GSFXFRRMHPWMCX-UHFFFAOYSA-N -1 0 493.810 5.772 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000009363773 555124330 /nfs/dbraw/zinc/12/43/30/555124330.db2.gz IILAPILQVALNRV-KRWDZBQOSA-N -1 0 470.150 5.298 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000009373364 555135149 /nfs/dbraw/zinc/13/51/49/555135149.db2.gz HKVGRGFHBOTYTF-UHFFFAOYSA-N -1 0 478.998 5.203 50 0 JKAARM Cc1ccc(-c2csc3[nH]c(SCC(=O)Nc4ccc(Cl)c(C(=O)[O-])c4)nc(=O)c23)cc1 ZINC000009410606 555177195 /nfs/dbraw/zinc/17/71/95/555177195.db2.gz JHWIKZFINTTZOV-UHFFFAOYSA-N -1 0 485.974 5.042 50 0 JKAARM COc1cccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000009428547 555194183 /nfs/dbraw/zinc/19/41/83/555194183.db2.gz SOTFIHHJHUBBKJ-FEVNIDIWSA-N -1 0 476.532 5.068 50 0 JKAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1 ZINC000009434298 555205366 /nfs/dbraw/zinc/20/53/66/555205366.db2.gz QMVMVLMYMQPBSJ-UHFFFAOYSA-N -1 0 489.000 5.215 50 0 JKAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCc2ccccc2C1 ZINC000009439633 555209569 /nfs/dbraw/zinc/20/95/69/555209569.db2.gz CKUVNJRSXNFRJS-UHFFFAOYSA-N -1 0 467.399 5.054 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C ZINC000009468199 555247275 /nfs/dbraw/zinc/24/72/75/555247275.db2.gz FKSPAHKCQMYXFR-UHFFFAOYSA-N -1 0 464.465 5.076 50 0 JKAARM COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009508180 555293871 /nfs/dbraw/zinc/29/38/71/555293871.db2.gz RUXFDOTZWXTQPS-UHFFFAOYSA-N -1 0 498.910 5.349 50 0 JKAARM O=C([O-])c1ccc(NC(=O)CSCc2ccccc2)c(NC(=O)CSCc2ccccc2)c1 ZINC000009553706 555350091 /nfs/dbraw/zinc/35/00/91/555350091.db2.gz PLXZSNHVLBVILT-UHFFFAOYSA-N -1 0 480.611 5.129 50 0 JKAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCCCC1)nc3-c1ccc(C(C)C)cc1 ZINC000009560308 555356566 /nfs/dbraw/zinc/35/65/66/555356566.db2.gz RZBGTLQKJBHLGS-UHFFFAOYSA-N -1 0 472.593 5.087 50 0 JKAARM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)cc3OC)cc2)n1 ZINC000009572529 555369240 /nfs/dbraw/zinc/36/92/40/555369240.db2.gz GPPABFHFFNIHAW-UHFFFAOYSA-N -1 0 490.029 5.146 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000013303419 555373634 /nfs/dbraw/zinc/37/36/34/555373634.db2.gz LLZZKDDEAGYORC-WYZZFHORSA-N -1 0 457.357 5.981 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000013303416 555373778 /nfs/dbraw/zinc/37/37/78/555373778.db2.gz LLZZKDDEAGYORC-CDEHNYETSA-N -1 0 457.357 5.981 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(F)c(Cl)c4)ccc3s2)cc1 ZINC000013347496 555377698 /nfs/dbraw/zinc/37/76/98/555377698.db2.gz DYQOFLXLEXNBJH-UHFFFAOYSA-N -1 0 490.969 5.842 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cccc(Cl)c4)ccc3s2)cc1 ZINC000013347439 555377711 /nfs/dbraw/zinc/37/77/11/555377711.db2.gz HLKHYKPUPWEQSZ-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM CC(=O)c1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000013348924 555378528 /nfs/dbraw/zinc/37/85/28/555378528.db2.gz NQWSDDKVJAGTQF-UHFFFAOYSA-N -1 0 480.571 5.252 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cccc(C)c4C)cc3s2)cc1 ZINC000013348944 555378548 /nfs/dbraw/zinc/37/85/48/555378548.db2.gz DDSJVRPBQOKGER-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cc(C)ccc4C)cc3s2)cc1 ZINC000013348957 555378880 /nfs/dbraw/zinc/37/88/80/555378880.db2.gz JBWIGZHKVPXQHV-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM CCc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000013349292 555379151 /nfs/dbraw/zinc/37/91/51/555379151.db2.gz GDAQSCSZRVMSSL-UHFFFAOYSA-N -1 0 452.561 5.304 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccccc4)cc3C)s2)cc1 ZINC000013349156 555379209 /nfs/dbraw/zinc/37/92/09/555379209.db2.gz SIIJVJQWOMVXQZ-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4cccc(F)c4)cc3C)s2)cc1 ZINC000013349238 555379227 /nfs/dbraw/zinc/37/92/27/555379227.db2.gz XSTCWFOOMXRRJJ-UHFFFAOYSA-N -1 0 470.551 5.497 50 0 JKAARM Cc1ccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccccc4)nc3c(C)c2)c(C)c1 ZINC000013349493 555379608 /nfs/dbraw/zinc/37/96/08/555379608.db2.gz VUGRPAPQYWXDGK-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1cc(C)cc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000013349488 555379703 /nfs/dbraw/zinc/37/97/03/555379703.db2.gz OASFBVXJUXFYKM-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM COc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349557 555379990 /nfs/dbraw/zinc/37/99/90/555379990.db2.gz CWCLOSISDCLHJX-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM COc1ccc(C)cc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349501 555380019 /nfs/dbraw/zinc/38/00/19/555380019.db2.gz KBKSBQIYABPLIO-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)c1 ZINC000013360645 555386414 /nfs/dbraw/zinc/38/64/14/555386414.db2.gz RRSQCWZAVBINLP-UHFFFAOYSA-N -1 0 464.543 5.443 50 0 JKAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1ccccc1Cl ZINC000013361346 555386933 /nfs/dbraw/zinc/38/69/33/555386933.db2.gz ALWCSGRLCPKMML-UHFFFAOYSA-N -1 0 458.952 5.395 50 0 JKAARM O=c1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc(Oc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000013400835 555395758 /nfs/dbraw/zinc/39/57/58/555395758.db2.gz KJXNODUWSPCTQR-UHFFFAOYSA-N -1 0 485.167 6.699 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679525 555406446 /nfs/dbraw/zinc/40/64/46/555406446.db2.gz XJYAZFMUHQWBNO-JOCHJYFZSA-N -1 0 492.329 5.359 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1Cl ZINC000009685395 555414180 /nfs/dbraw/zinc/41/41/80/555414180.db2.gz MAKOGAJHTOGZBL-UHFFFAOYSA-N -1 0 476.982 5.103 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000009698199 555425474 /nfs/dbraw/zinc/42/54/74/555425474.db2.gz ZFAURBIQMQTRFO-UHFFFAOYSA-N -1 0 467.881 5.072 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OCC(=O)[O-])Nc1ccccc1-2 ZINC000009601809 555427075 /nfs/dbraw/zinc/42/70/75/555427075.db2.gz QDKHZWGVWKPXSC-JOCHJYFZSA-N -1 0 466.563 5.178 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009707425 555430269 /nfs/dbraw/zinc/43/02/69/555430269.db2.gz KLHBMWURLQZFKE-UHFFFAOYSA-N -1 0 477.586 5.017 50 0 JKAARM COc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)cc1Cl ZINC000009611658 555444127 /nfs/dbraw/zinc/44/41/27/555444127.db2.gz RBTSSADSPFNVKH-UHFFFAOYSA-N -1 0 456.951 5.205 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2OCc2ccccc2)C1 ZINC000009612898 555447086 /nfs/dbraw/zinc/44/70/86/555447086.db2.gz VAQQNZFDQXFGGC-CJLVFECKSA-N -1 0 450.538 5.888 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000009715549 555447886 /nfs/dbraw/zinc/44/78/86/555447886.db2.gz PHNQYLXHSJUQIB-UHFFFAOYSA-N -1 0 453.383 5.081 50 0 JKAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000009631181 555459894 /nfs/dbraw/zinc/45/98/94/555459894.db2.gz PQSSFQXWTFWPNL-UHFFFAOYSA-N -1 0 494.425 5.310 50 0 JKAARM CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1OCC ZINC000009738722 555470381 /nfs/dbraw/zinc/47/03/81/555470381.db2.gz QRETWLFBMXQREG-UHFFFAOYSA-N -1 0 496.010 5.037 50 0 JKAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 ZINC000013575800 555514647 /nfs/dbraw/zinc/51/46/47/555514647.db2.gz RQDSVFAHKJEOCN-NDENLUEZSA-N -1 0 485.323 5.110 50 0 JKAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1c(Cl)cccc1Cl)NC(=O)c1ccccc1 ZINC000013575828 555514679 /nfs/dbraw/zinc/51/46/79/555514679.db2.gz PTFIEFMCKGSTBR-MOSHPQCFSA-N -1 0 485.323 5.110 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579149 555517995 /nfs/dbraw/zinc/51/79/95/555517995.db2.gz YDPLTJGCZHSOQH-BRGVFWSASA-N -1 0 495.000 6.090 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000013579375 555518544 /nfs/dbraw/zinc/51/85/44/555518544.db2.gz CKJDSFNDYHTEGU-ICFOKQHNSA-N -1 0 462.527 5.179 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)N2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-] ZINC000013579359 555518605 /nfs/dbraw/zinc/51/86/05/555518605.db2.gz ZRXQRBXQPXXWCE-VLGSPTGOSA-N -1 0 472.566 5.212 50 0 JKAARM Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)n2)cc1 ZINC000019864072 555521173 /nfs/dbraw/zinc/52/11/73/555521173.db2.gz QETRXNRWHGPZDP-UHFFFAOYSA-N -1 0 498.966 6.245 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000009828591 555526500 /nfs/dbraw/zinc/52/65/00/555526500.db2.gz QTRSQPZKHZUKFG-UHFFFAOYSA-N -1 0 479.583 5.226 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000013619135 555537595 /nfs/dbraw/zinc/53/75/95/555537595.db2.gz UXUOYKZOFGFALT-PVTPYKNESA-N -1 0 494.522 5.207 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000013648141 555552544 /nfs/dbraw/zinc/55/25/44/555552544.db2.gz WHBJYDJCXRWKIF-QHCPKHFHSA-N -1 0 468.513 5.065 50 0 JKAARM O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1 ZINC000013660666 555556273 /nfs/dbraw/zinc/55/62/73/555556273.db2.gz NGKKCMHSBRWVPL-QXTIUPHPSA-N -1 0 480.951 5.713 50 0 JKAARM COc1cc(Cl)c(C)cc1Nc1nc2cc(C)ccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009858081 555559345 /nfs/dbraw/zinc/55/93/45/555559345.db2.gz WGHYKJCXNANUBS-UHFFFAOYSA-N -1 0 482.993 5.761 50 0 JKAARM COc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009858064 555559434 /nfs/dbraw/zinc/55/94/34/555559434.db2.gz GCQRDXCSPRSTCW-UHFFFAOYSA-N -1 0 489.384 5.798 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(=O)c3cccs3)ccc2Cl)c(C)c1 ZINC000009957190 555565274 /nfs/dbraw/zinc/56/52/74/555565274.db2.gz SUMGZRXEKYGHBM-UHFFFAOYSA-N -1 0 477.007 5.421 50 0 JKAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(Cl)cc3)nc2c1 ZINC000009986019 555584795 /nfs/dbraw/zinc/58/47/95/555584795.db2.gz KCUNDWXAEXGZLO-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013757523 555611294 /nfs/dbraw/zinc/61/12/94/555611294.db2.gz KGTCDSBYSHPIRU-SMIHKQSGSA-N -1 0 460.961 5.689 50 0 JKAARM O=C(CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1)Nc1ccc(Cl)cc1 ZINC000013774162 555615397 /nfs/dbraw/zinc/61/53/97/555615397.db2.gz VBRBUWYPZHYAHJ-UHFFFAOYSA-N -1 0 477.973 5.040 50 0 JKAARM CCCCc1c([O-])nc(SCC(=O)Nc2cccc3ccccc32)n(-c2ccc(C)cc2)c1=O ZINC000013774564 555615483 /nfs/dbraw/zinc/61/54/83/555615483.db2.gz PNUDDNFPQJURMD-UHFFFAOYSA-N -1 0 473.598 5.473 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013811165 555627156 /nfs/dbraw/zinc/62/71/56/555627156.db2.gz XFWGDLZHPZWKHE-UBFVSLLYSA-N -1 0 456.448 5.169 50 0 JKAARM Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1C ZINC000020100705 555633765 /nfs/dbraw/zinc/63/37/65/555633765.db2.gz JJGRCRZUNVIWEM-UHFFFAOYSA-N -1 0 467.319 5.597 50 0 JKAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c12 ZINC000010166783 555639488 /nfs/dbraw/zinc/63/94/88/555639488.db2.gz JPECBQATAFVQSC-UHFFFAOYSA-N -1 0 480.368 5.312 50 0 JKAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000013894824 555642592 /nfs/dbraw/zinc/64/25/92/555642592.db2.gz YETDJTGPHQPYQZ-UHFFFAOYSA-N -1 0 472.541 5.702 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])[C@@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013896227 555643426 /nfs/dbraw/zinc/64/34/26/555643426.db2.gz GULRMEJABIDYNL-LBNVMWSVSA-N -1 0 488.584 5.942 50 0 JKAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1cccc2ccccc21 ZINC000013939863 555649967 /nfs/dbraw/zinc/64/99/67/555649967.db2.gz MXOJSRBNWBWVSN-UHFFFAOYSA-N -1 0 498.579 5.574 50 0 JKAARM O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013943208 555654369 /nfs/dbraw/zinc/65/43/69/555654369.db2.gz IDQAEXSBFOMRMZ-UHFFFAOYSA-N -1 0 466.356 6.659 50 0 JKAARM CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCCC)c3)cc(C(=O)[O-])c2)c1 ZINC000013957488 555661502 /nfs/dbraw/zinc/66/15/02/555661502.db2.gz ABBPDJLEBGICKB-UHFFFAOYSA-N -1 0 476.529 5.467 50 0 JKAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1 ZINC000010274408 555670012 /nfs/dbraw/zinc/67/00/12/555670012.db2.gz XPWXPNOGQUHCSD-UHFFFAOYSA-N -1 0 489.000 5.215 50 0 JKAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000014069627 555678100 /nfs/dbraw/zinc/67/81/00/555678100.db2.gz RJYQFGJJHPZVJD-UHFFFAOYSA-N -1 0 460.946 5.125 50 0 JKAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000014093996 555686180 /nfs/dbraw/zinc/68/61/80/555686180.db2.gz QQXLUZWYGHDYJM-UHFFFAOYSA-N -1 0 482.609 5.869 50 0 JKAARM COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000020220611 555717107 /nfs/dbraw/zinc/71/71/07/555717107.db2.gz ORRQFUITVLBLMF-PMACEKPBSA-N -1 0 469.603 6.079 50 0 JKAARM Cc1ccc(-c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020328872 555774866 /nfs/dbraw/zinc/77/48/66/555774866.db2.gz OJKKJBVDNNSVTH-UHFFFAOYSA-N -1 0 465.962 5.118 50 0 JKAARM Cc1ccc(-c2nc(S(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)c(-c3ccccc3)[n-]2)cc1 ZINC000020328877 555774873 /nfs/dbraw/zinc/77/48/73/555774873.db2.gz CBSPFTCRRGNVKT-UHFFFAOYSA-N -1 0 459.571 5.081 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCc4ccccc4Cl)c3=O)c2c1 ZINC000020329063 555775102 /nfs/dbraw/zinc/77/51/02/555775102.db2.gz FFSWPHSPZOQMAX-UHFFFAOYSA-N -1 0 485.009 5.079 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3=O)c2c1 ZINC000020330580 555775819 /nfs/dbraw/zinc/77/58/19/555775819.db2.gz QSBBXNHNGNYLLI-AEBPFMNOSA-N -1 0 494.661 5.050 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020331254 555776146 /nfs/dbraw/zinc/77/61/46/555776146.db2.gz FVPICHKXZIPKGD-UHFFFAOYSA-N -1 0 456.955 5.011 50 0 JKAARM CCc1nnc(C2=C([O-])c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(C(C)C)cc2)s1 ZINC000011614289 555790731 /nfs/dbraw/zinc/79/07/31/555790731.db2.gz DYWVYJROYYAUFW-TZIWHRDSSA-N -1 0 464.974 6.096 50 0 JKAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000011615684 555791663 /nfs/dbraw/zinc/79/16/63/555791663.db2.gz FRIRVTYSUUPLDE-UHFFFAOYSA-N -1 0 467.572 5.040 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(C(Cl)=Cc3ccc(SC)cc3)nc2c1 ZINC000014357020 555796477 /nfs/dbraw/zinc/79/64/77/555796477.db2.gz XWSJYXOSUWRIMI-AQTBWJFISA-N -1 0 486.018 5.831 50 0 JKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3ccccc3Cl)o2)nc2ccc(Br)cc21 ZINC000011692875 555801888 /nfs/dbraw/zinc/80/18/88/555801888.db2.gz XIDANRSOYXKCLU-VOTSOKGWSA-N -1 0 454.707 6.779 50 0 JKAARM Cc1c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000011692928 555801915 /nfs/dbraw/zinc/80/19/15/555801915.db2.gz CXPJGANTXBESOM-UHFFFAOYSA-N -1 0 477.141 7.238 50 0 JKAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)[C@@H](C(=O)[O-])C1 ZINC000020568957 555822659 /nfs/dbraw/zinc/82/26/59/555822659.db2.gz SXQHYQCTRYBHOT-PMACEKPBSA-N -1 0 497.400 5.180 50 0 JKAARM C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020568963 555822692 /nfs/dbraw/zinc/82/26/92/555822692.db2.gz UVYGFPHZEFMPBH-GFCCVEGCSA-N -1 0 497.853 5.011 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000021364319 555850766 /nfs/dbraw/zinc/85/07/66/555850766.db2.gz UIKZPCCHKOQITD-UHFFFAOYSA-N -1 0 458.952 5.395 50 0 JKAARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1Cl ZINC000015008558 555852628 /nfs/dbraw/zinc/85/26/28/555852628.db2.gz FKEIATYBXDMVSM-VXLYETTFSA-N -1 0 457.866 5.674 50 0 JKAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)c1 ZINC000015018892 555859299 /nfs/dbraw/zinc/85/92/99/555859299.db2.gz ANPMGJDEQBURJY-UHFFFAOYSA-N -1 0 470.510 5.110 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1 ZINC000015018884 555859394 /nfs/dbraw/zinc/85/93/94/555859394.db2.gz ZPXFKIZWRXDNSB-UHFFFAOYSA-N -1 0 470.510 5.110 50 0 JKAARM O=C([O-])/C=C/c1cc(Br)cc(I)c1OCc1ccccc1Cl ZINC000022077327 555871875 /nfs/dbraw/zinc/87/18/75/555871875.db2.gz IVOBLJMTXSMHAP-AATRIKPKSA-N -1 0 493.522 5.384 50 0 JKAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)c(Br)c1OCc1ccccc1Cl ZINC000022077364 555871939 /nfs/dbraw/zinc/87/19/39/555871939.db2.gz CKVCPCSUTMSLSR-BQYQJAHWSA-N -1 0 490.575 5.941 50 0 JKAARM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000015081852 555873026 /nfs/dbraw/zinc/87/30/26/555873026.db2.gz RCZXJCNAYXAMIT-AWEZNQCLSA-N -1 0 476.323 5.498 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1Br ZINC000015082146 555873305 /nfs/dbraw/zinc/87/33/05/555873305.db2.gz XPSANWSPTVBACV-CYBMUJFWSA-N -1 0 458.333 5.359 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC1CCCC1 ZINC000015082704 555873523 /nfs/dbraw/zinc/87/35/23/555873523.db2.gz PTUHDOPPYGRMNC-SFHVURJKSA-N -1 0 481.545 6.057 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000015084781 555874880 /nfs/dbraw/zinc/87/48/80/555874880.db2.gz TVNYBMSXLXWITL-QFIPXVFZSA-N -1 0 469.562 6.209 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC1CCCC1 ZINC000015107443 555877731 /nfs/dbraw/zinc/87/77/31/555877731.db2.gz OHXWBDFCECUCAF-GOSISDBHSA-N -1 0 463.555 5.917 50 0 JKAARM Cc1ccc(C(=O)[C@H](C)[C@H]2c3cc(Br)ccc3OC(=O)C2=C([O-])c2ccccc2)cc1 ZINC000015306247 555895124 /nfs/dbraw/zinc/89/51/24/555895124.db2.gz WFAVJZATFYOORT-XARZLDAJSA-N -1 0 477.354 5.778 50 0 JKAARM COc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@@H](C)C(=O)[O-])c1 ZINC000015307257 555895756 /nfs/dbraw/zinc/89/57/56/555895756.db2.gz XGAICFLKIPNUFE-SGLFEJPPSA-N -1 0 480.601 6.236 50 0 JKAARM CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112464 555908650 /nfs/dbraw/zinc/90/86/50/555908650.db2.gz IXEUGFRUGRKVKC-UHFFFAOYSA-N -1 0 493.610 5.039 50 0 JKAARM CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112472 555908767 /nfs/dbraw/zinc/90/87/67/555908767.db2.gz LGUSVIIPOUOVTI-UHFFFAOYSA-N -1 0 491.638 5.764 50 0 JKAARM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112459 555908879 /nfs/dbraw/zinc/90/88/79/555908879.db2.gz CZEWFKKLTFGXGF-UHFFFAOYSA-N -1 0 498.029 5.602 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112506 555909114 /nfs/dbraw/zinc/90/91/14/555909114.db2.gz LAWFTRVVTZBKKP-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM CCc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112518 555909271 /nfs/dbraw/zinc/90/92/71/555909271.db2.gz QEVMMRRODVUIOM-UHFFFAOYSA-N -1 0 491.638 5.511 50 0 JKAARM CC(C)(C)OC(=O)N1CCC[C@H](C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446427 555909479 /nfs/dbraw/zinc/90/94/79/555909479.db2.gz WPCUPMFUJBWUFE-HOYKHHGWSA-N -1 0 494.588 5.016 50 0 JKAARM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015634927 555920616 /nfs/dbraw/zinc/92/06/16/555920616.db2.gz JIKRSYXPHUTIAQ-UHFFFAOYSA-N -1 0 495.359 5.535 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000015669826 555924453 /nfs/dbraw/zinc/92/44/53/555924453.db2.gz OMWRQPLYLXSEDW-UHFFFAOYSA-N -1 0 481.508 6.300 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 ZINC000015669803 555924537 /nfs/dbraw/zinc/92/45/37/555924537.db2.gz GUFWFRMNDGWTHH-KRWDZBQOSA-N -1 0 478.504 6.203 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 ZINC000015669802 555924640 /nfs/dbraw/zinc/92/46/40/555924640.db2.gz GUFWFRMNDGWTHH-QGZVFWFLSA-N -1 0 478.504 6.203 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)Nc1ccc(C)cc1 ZINC000015671515 555928634 /nfs/dbraw/zinc/92/86/34/555928634.db2.gz BJJMGIJTJMAAOR-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000022851997 555958831 /nfs/dbraw/zinc/95/88/31/555958831.db2.gz YDONDVCPQUYEGE-HXUWFJFHSA-N -1 0 462.962 5.558 50 0 JKAARM C[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)C1 ZINC000022852069 555958832 /nfs/dbraw/zinc/95/88/32/555958832.db2.gz NUSKISHQODGNHM-GUYCJALGSA-N -1 0 473.396 5.340 50 0 JKAARM C[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)C1 ZINC000022852067 555958833 /nfs/dbraw/zinc/95/88/33/555958833.db2.gz NUSKISHQODGNHM-DYVFJYSZSA-N -1 0 473.396 5.340 50 0 JKAARM [O-]c1c([C@H](c2cccc(Br)c2)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852013 555958842 /nfs/dbraw/zinc/95/88/42/555958842.db2.gz QAXGLIBCYOQVEB-INIZCTEOSA-N -1 0 459.369 5.094 50 0 JKAARM [O-]c1c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851909 555958904 /nfs/dbraw/zinc/95/89/04/555958904.db2.gz XCLTXICPCUDXAY-NRFANRHFSA-N -1 0 492.004 5.321 50 0 JKAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000022851887 555958908 /nfs/dbraw/zinc/95/89/08/555958908.db2.gz YMSUQRMDVLJSRI-HXUWFJFHSA-N -1 0 462.962 5.558 50 0 JKAARM CC1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)CC1 ZINC000022852072 555958913 /nfs/dbraw/zinc/95/89/13/555958913.db2.gz ADYYPZITQFBXQK-KRWDZBQOSA-N -1 0 473.396 5.340 50 0 JKAARM [O-]c1c([C@H](c2ccccc2F)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852117 555959169 /nfs/dbraw/zinc/95/91/69/555959169.db2.gz TZXNTVVUAUHPPH-QHCPKHFHSA-N -1 0 488.588 5.940 50 0 JKAARM Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022852406 555959574 /nfs/dbraw/zinc/95/95/74/555959574.db2.gz SPFUHWJSHZRNQX-JOCHJYFZSA-N -1 0 489.576 5.116 50 0 JKAARM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]C(=S)N=[S@@](C)(=O)c1ccccc1 ZINC000012367098 555960202 /nfs/dbraw/zinc/96/02/02/555960202.db2.gz XZRJLINLIKCYDO-LJAQVGFWSA-N -1 0 468.387 5.128 50 0 JKAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852754 555960250 /nfs/dbraw/zinc/96/02/50/555960250.db2.gz XGUANDBDUCMMTB-AREMUKBSSA-N -1 0 495.652 5.301 50 0 JKAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854580 555960935 /nfs/dbraw/zinc/96/09/35/555960935.db2.gz CYWKFRJJEZTKSB-FQEVSTJZSA-N -1 0 488.444 5.277 50 0 JKAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022854797 555961588 /nfs/dbraw/zinc/96/15/88/555961588.db2.gz BLFXNPHGSHSASJ-QFIPXVFZSA-N -1 0 498.052 5.023 50 0 JKAARM Cc1ccc(-c2c/c(=N\[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3cc(Cl)ccc3o2)cc1 ZINC000012374450 555961893 /nfs/dbraw/zinc/96/18/93/555961893.db2.gz SKDDSZRDYGMPIL-SWWPGYFCSA-N -1 0 456.929 6.140 50 0 JKAARM O=C([O-])c1ccc(-c2ccc([C@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)o2)cc1 ZINC000012376054 555963060 /nfs/dbraw/zinc/96/30/60/555963060.db2.gz LQOKMAUCRRJKHW-LJAQVGFWSA-N -1 0 473.528 7.078 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(OC2CCCC2)cc1 ZINC000012377281 555965763 /nfs/dbraw/zinc/96/57/63/555965763.db2.gz GJJPUMALIUKIFJ-HSZRJFAPSA-N -1 0 457.526 5.578 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)cc1 ZINC000015729289 555969608 /nfs/dbraw/zinc/96/96/08/555969608.db2.gz PSXGWNLVNHRVOA-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CSc4ccccc4)cc3s2)cc1 ZINC000015729311 555969928 /nfs/dbraw/zinc/96/99/28/555969928.db2.gz UUNSTBPTULFKNZ-UHFFFAOYSA-N -1 0 469.613 5.136 50 0 JKAARM Cc1c2c(cc(=O)n1CCC(c1ccccc1)c1ccccc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012391605 555974720 /nfs/dbraw/zinc/97/47/20/555974720.db2.gz IDLWURMHPPZWSY-UHFFFAOYSA-N -1 0 453.517 5.514 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000012508490 555991562 /nfs/dbraw/zinc/99/15/62/555991562.db2.gz IHMBDYSFJTYLDK-UHFFFAOYSA-N -1 0 457.360 5.117 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000015781890 556001055 /nfs/dbraw/zinc/00/10/55/556001055.db2.gz KMFOVTKJOTUKJD-SFHVURJKSA-N -1 0 466.456 5.109 50 0 JKAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012541906 556016768 /nfs/dbraw/zinc/01/67/68/556016768.db2.gz GTBSFOYQXMDDCW-UHFFFAOYSA-N -1 0 464.465 5.076 50 0 JKAARM C[C@H]1Cc2cc(-c3cc(C(=O)[N-]c4c5ccccc5oc4C(=O)c4ccc(Cl)cc4)no3)ccc2O1 ZINC000015833075 556018722 /nfs/dbraw/zinc/01/87/22/556018722.db2.gz MBFIFEPGKWWWRU-HNNXBMFYSA-N -1 0 498.922 6.548 50 0 JKAARM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)c1 ZINC000015858788 556025958 /nfs/dbraw/zinc/02/59/58/556025958.db2.gz ASLBSGIBKFVVGG-UHFFFAOYSA-N -1 0 480.977 5.437 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015858726 556026002 /nfs/dbraw/zinc/02/60/02/556026002.db2.gz ROYMOKLVOMCHBV-UHFFFAOYSA-N -1 0 492.910 5.863 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc2ncsc2c1 ZINC000012549882 556030224 /nfs/dbraw/zinc/03/02/24/556030224.db2.gz IHGFBLVEHVIYOG-UHFFFAOYSA-N -1 0 478.382 5.656 50 0 JKAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(SC(F)(F)F)cc1 ZINC000023194776 556030637 /nfs/dbraw/zinc/03/06/37/556030637.db2.gz WFEZLDHLGYEQKR-UHFFFAOYSA-N -1 0 458.508 5.413 50 0 JKAARM CCOc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000015861931 556034160 /nfs/dbraw/zinc/03/41/60/556034160.db2.gz BWDWGJOXVZHORX-UHFFFAOYSA-N -1 0 467.572 5.057 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccccc4F)cc3C)s2)cc1 ZINC000015862023 556034540 /nfs/dbraw/zinc/03/45/40/556034540.db2.gz POPHRJUAAJIRCU-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3s2)cc1 ZINC000015861932 556034554 /nfs/dbraw/zinc/03/45/54/556034554.db2.gz IROLCFWSGYPUHG-UHFFFAOYSA-N -1 0 487.990 5.076 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccccc1Br ZINC000015862071 556034758 /nfs/dbraw/zinc/03/47/58/556034758.db2.gz ZLHHAFDSDOYEND-UHFFFAOYSA-N -1 0 488.388 5.112 50 0 JKAARM CCOc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862041 556034815 /nfs/dbraw/zinc/03/48/15/556034815.db2.gz ACXBTHBSFATMFR-UHFFFAOYSA-N -1 0 481.599 5.365 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccccc4Cl)cc3C)s2)cc1 ZINC000015862048 556034897 /nfs/dbraw/zinc/03/48/97/556034897.db2.gz RDMJJPLCQNRORY-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000012556104 556041883 /nfs/dbraw/zinc/04/18/83/556041883.db2.gz SISSFNJKDKDNHU-PNHLSOANSA-N -1 0 460.942 6.823 50 0 JKAARM CCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000015870479 556050075 /nfs/dbraw/zinc/05/00/75/556050075.db2.gz RSVYREYXLLDXBG-UHFFFAOYSA-N -1 0 469.994 5.304 50 0 JKAARM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000015870772 556050958 /nfs/dbraw/zinc/05/09/58/556050958.db2.gz KESZLJBHEYKLDI-UHFFFAOYSA-N -1 0 453.995 5.686 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000012563623 556058641 /nfs/dbraw/zinc/05/86/41/556058641.db2.gz UYSKETRJZLDDKE-UHFFFAOYSA-N -1 0 486.593 5.657 50 0 JKAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000023437850 556058805 /nfs/dbraw/zinc/05/88/05/556058805.db2.gz HTAPBWKSPQGZKH-UHFFFAOYSA-N -1 0 472.994 5.250 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1C ZINC000012564755 556061190 /nfs/dbraw/zinc/06/11/90/556061190.db2.gz AJLYBAHZOPRXMG-UHFFFAOYSA-N -1 0 488.565 5.429 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000012565530 556062736 /nfs/dbraw/zinc/06/27/36/556062736.db2.gz SHIQURSXTHQGKB-UHFFFAOYSA-N -1 0 488.993 5.256 50 0 JKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000015911210 556065176 /nfs/dbraw/zinc/06/51/76/556065176.db2.gz CMDXANJYRSPBHF-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000015911154 556065187 /nfs/dbraw/zinc/06/51/87/556065187.db2.gz ATANOLNFFDAEAF-UHFFFAOYSA-N -1 0 460.603 6.089 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)ccc2Cl)cc1 ZINC000023505616 556076107 /nfs/dbraw/zinc/07/61/07/556076107.db2.gz SGJFBVJTAIKXFI-AWEZNQCLSA-N -1 0 494.947 5.261 50 0 JKAARM CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000015945423 556081584 /nfs/dbraw/zinc/08/15/84/556081584.db2.gz NQZWQEZWWZMJIX-ZKANADHPSA-N -1 0 486.229 5.923 50 0 JKAARM O=C([O-])c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 ZINC000015953277 556087093 /nfs/dbraw/zinc/08/70/93/556087093.db2.gz FKZZCKMJBLONSL-UHFFFAOYSA-N -1 0 484.375 5.047 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)C1CCCCC1 ZINC000012600201 556090113 /nfs/dbraw/zinc/09/01/13/556090113.db2.gz DVVLAFLLCXRMDO-UHFFFAOYSA-N -1 0 471.804 5.422 50 0 JKAARM Cc1cc(F)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000015975949 556098195 /nfs/dbraw/zinc/09/81/95/556098195.db2.gz ZCHJXNXFVZASGU-UHFFFAOYSA-N -1 0 469.357 5.011 50 0 JKAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1 ZINC000012728776 556105135 /nfs/dbraw/zinc/10/51/35/556105135.db2.gz JIUHERZBJYWYAA-UHFFFAOYSA-N -1 0 471.991 5.634 50 0 JKAARM CN(Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1)Cc1ccccc1N1CCOCC1 ZINC000023967945 556107914 /nfs/dbraw/zinc/10/79/14/556107914.db2.gz FKWLWFQLIATUJS-UHFFFAOYSA-N -1 0 481.021 5.186 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000012779328 556111190 /nfs/dbraw/zinc/11/11/90/556111190.db2.gz ALPXGVLWUZAQSL-MHZLTWQESA-N -1 0 492.579 5.780 50 0 JKAARM Cc1cc(C(=O)COc2c(Cl)cc(C(=O)[O-])cc2Cl)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000012785622 556112934 /nfs/dbraw/zinc/11/29/34/556112934.db2.gz ODGWHHBHKBFGFH-UHFFFAOYSA-N -1 0 476.312 5.149 50 0 JKAARM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000016035784 556119585 /nfs/dbraw/zinc/11/95/85/556119585.db2.gz NJDLUIAOOMCSMQ-IAGOWNOFSA-N -1 0 486.615 5.246 50 0 JKAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000016052349 556126309 /nfs/dbraw/zinc/12/63/09/556126309.db2.gz ILUPZUOBHCUBKB-UHFFFAOYSA-N -1 0 478.492 5.309 50 0 in-man JKAARM CCCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)c2)c1 ZINC000024193209 556126643 /nfs/dbraw/zinc/12/66/43/556126643.db2.gz VFIQCXFFHYRBCC-XMMPIXPASA-N -1 0 477.582 5.505 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000016425449 556138699 /nfs/dbraw/zinc/13/86/99/556138699.db2.gz OYWLPTIUXDDOHQ-NHCUHLMSSA-N -1 0 498.023 5.721 50 0 JKAARM Cc1cccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4C)[n-]c3-c3ccc(Cl)cc3)C2=O)c1 ZINC000016534136 556142508 /nfs/dbraw/zinc/14/25/08/556142508.db2.gz BDGPJENZECUVJY-HAHDFKILSA-N -1 0 498.970 5.608 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000024985342 556169679 /nfs/dbraw/zinc/16/96/79/556169679.db2.gz OQLGLPORGJDHCC-UHFFFAOYSA-N -1 0 464.305 5.669 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000016955727 556186891 /nfs/dbraw/zinc/18/68/91/556186891.db2.gz RYYLIVMWYHTQBX-UHFFFAOYSA-N -1 0 468.966 5.453 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000016956533 556187283 /nfs/dbraw/zinc/18/72/83/556187283.db2.gz QCXOABVQUSRGMR-UHFFFAOYSA-N -1 0 494.882 5.726 50 0 JKAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000016956595 556187297 /nfs/dbraw/zinc/18/72/97/556187297.db2.gz ARXRFQLXICXIOC-UHFFFAOYSA-N -1 0 484.965 5.153 50 0 JKAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000017013640 556203479 /nfs/dbraw/zinc/20/34/79/556203479.db2.gz QHTQOSCVSNDZER-UHFFFAOYSA-N -1 0 495.649 5.236 50 0 JKAARM Cc1cc(C)c(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c(C)c1 ZINC000017143747 556225411 /nfs/dbraw/zinc/22/54/11/556225411.db2.gz GWKYYTRXFZBHIF-UHFFFAOYSA-N -1 0 482.656 5.469 50 0 JKAARM O=C([O-])[C@@H](COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000025584668 556226443 /nfs/dbraw/zinc/22/64/43/556226443.db2.gz KZPZBFSMBCMNFT-QHCPKHFHSA-N -1 0 460.917 5.147 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5cccc6c5n(c4=O)CC6)cc3)sc2c1 ZINC000017162915 556230085 /nfs/dbraw/zinc/23/00/85/556230085.db2.gz QABYHNJFKZZWIS-UHFFFAOYSA-N -1 0 453.523 5.101 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)cc1 ZINC000017206000 556240773 /nfs/dbraw/zinc/24/07/73/556240773.db2.gz YCEHRQURAMXXRR-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1C ZINC000017207604 556241064 /nfs/dbraw/zinc/24/10/64/556241064.db2.gz MHSMWUOMDZNNMJ-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)ccc2C)cc1C ZINC000017207468 556241076 /nfs/dbraw/zinc/24/10/76/556241076.db2.gz SAFXERAORQYIQV-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000017208080 556241480 /nfs/dbraw/zinc/24/14/80/556241480.db2.gz VSTZHSQCNOZXGA-UHFFFAOYSA-N -1 0 490.463 5.081 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000017209585 556241806 /nfs/dbraw/zinc/24/18/06/556241806.db2.gz XITUSTLXWIAMOS-UHFFFAOYSA-N -1 0 492.910 6.155 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000017246203 556246524 /nfs/dbraw/zinc/24/65/24/556246524.db2.gz IVPLKCZSWDQSEI-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2)c1 ZINC000017246813 556246916 /nfs/dbraw/zinc/24/69/16/556246916.db2.gz RSTJQDNIQHRWIU-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000017252735 556248209 /nfs/dbraw/zinc/24/82/09/556248209.db2.gz ZNRMDPCNKGERDF-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC000017251636 556248250 /nfs/dbraw/zinc/24/82/50/556248250.db2.gz JTOFCXTTYMDLRP-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM CCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1OCC(=O)N(C)C ZINC000013074950 556276126 /nfs/dbraw/zinc/27/61/26/556276126.db2.gz SWSMOVXBYKSOLN-SFQUDFHCSA-N -1 0 494.975 5.329 50 0 JKAARM O=P([N-]S(=O)(=O)c1ccccc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000027498794 556281181 /nfs/dbraw/zinc/28/11/81/556281181.db2.gz YIFPBWONTOXPMA-UHFFFAOYSA-N -1 0 458.259 5.538 50 0 JKAARM O=C([N-]n1cnc2scc(-c3ccco3)c2c1=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000018152267 556294735 /nfs/dbraw/zinc/29/47/35/556294735.db2.gz LOUVHCSISCTWMU-UHFFFAOYSA-N -1 0 472.309 5.669 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccc(OC)cc3)no2)cc1 ZINC000027579955 556299918 /nfs/dbraw/zinc/29/99/18/556299918.db2.gz DPZNPFSRIIATLB-UHFFFAOYSA-N -1 0 497.507 6.000 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027580765 556300215 /nfs/dbraw/zinc/30/02/15/556300215.db2.gz MLKSGYWIGRXSKG-UHFFFAOYSA-N -1 0 450.494 6.496 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582560 556300221 /nfs/dbraw/zinc/30/02/21/556300221.db2.gz JQEZIMAWHAOMHT-UHFFFAOYSA-N -1 0 481.508 6.218 50 0 JKAARM CCc1cccc(Cc2cc(C)cc(C)c2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000018194783 556301868 /nfs/dbraw/zinc/30/18/68/556301868.db2.gz HEFFFSNIIKBZTQ-UHFFFAOYSA-N -1 0 463.426 6.443 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2[O-])c(Cc2ccc3ccccc3c2)c1 ZINC000018194791 556301998 /nfs/dbraw/zinc/30/19/98/556301998.db2.gz KFOIBKWQPGPXPP-UHFFFAOYSA-N -1 0 485.432 7.034 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc2Cl)cc1 ZINC000013130003 556354717 /nfs/dbraw/zinc/35/47/17/556354717.db2.gz TZEKJFLTMPNMSQ-UHFFFAOYSA-N -1 0 480.973 5.945 50 0 JKAARM O=C([O-])c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)nc2ccccc2c1-c1ccccc1 ZINC000013131919 556358140 /nfs/dbraw/zinc/35/81/40/556358140.db2.gz VWZWUBNBXUMURV-UHFFFAOYSA-N -1 0 499.538 8.020 50 0 JKAARM COc1ccc2c(c1)nc(SCC(=O)N1Cc3ccccc3C[C@H]1C(=O)[O-])cc2-c1ccccc1 ZINC000013134397 556363286 /nfs/dbraw/zinc/36/32/86/556363286.db2.gz HNVSMPFSSSWFCV-VWLOTQADSA-N -1 0 484.577 5.041 50 0 JKAARM CCc1ccc(C(/C(Br)=C(/Br)C(=O)[O-])c2ccc(CC)cc2)cc1 ZINC000031430468 556397197 /nfs/dbraw/zinc/39/71/97/556397197.db2.gz VJHYTULURZUAAF-HNENSFHCSA-N -1 0 452.186 6.029 50 0 JKAARM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)NC2=S)cc1 ZINC000032111827 556420857 /nfs/dbraw/zinc/42/08/57/556420857.db2.gz MHTHCWNIHMETCK-UNOMPAQXSA-N -1 0 468.918 5.370 50 0 JKAARM O=C(CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1)Nc1ccc(-c2ccccc2)cc1 ZINC000032836317 556507287 /nfs/dbraw/zinc/50/72/87/556507287.db2.gz KWTZREXGLFPFKT-UHFFFAOYSA-N -1 0 497.407 5.873 50 0 JKAARM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000032845317 556509511 /nfs/dbraw/zinc/50/95/11/556509511.db2.gz PXIQUULQAJWRFO-UHFFFAOYSA-N -1 0 461.591 5.061 50 0 JKAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000032946735 556561621 /nfs/dbraw/zinc/56/16/21/556561621.db2.gz HRRZOTVTBPWVQF-UHFFFAOYSA-N -1 0 467.928 5.065 50 0 JKAARM CCOc1ccc(-n2c3nc(SCCOc4ccccc4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948209 556563111 /nfs/dbraw/zinc/56/31/11/556563111.db2.gz SMRNTEGSHAGSAW-UHFFFAOYSA-N -1 0 457.602 5.075 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000008604570 562946396 /nfs/dbraw/zinc/94/63/96/562946396.db2.gz FFMMLYHKQDPDTP-UHFFFAOYSA-N -1 0 455.479 5.330 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000008609253 562947269 /nfs/dbraw/zinc/94/72/69/562947269.db2.gz JODYOJFZDVVPKO-IBGZPJMESA-N -1 0 491.382 5.161 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000008673971 562950425 /nfs/dbraw/zinc/95/04/25/562950425.db2.gz AUYBIZOORGFKSF-UHFFFAOYSA-N -1 0 466.493 6.278 50 0 JKAARM CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000008692756 562954396 /nfs/dbraw/zinc/95/43/96/562954396.db2.gz DMAHLYYAJHRJTF-UHFFFAOYSA-N -1 0 479.385 5.834 50 0 aggregator JKAARM CCCCCC[C@@H](Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)C(=O)[O-] ZINC000040393731 563138541 /nfs/dbraw/zinc/13/85/41/563138541.db2.gz FQMPYBCEABTPIK-OAQYLSRUSA-N -1 0 470.038 6.925 50 0 in-vitro JKAARM COc1ccc(N=C2S/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)N2CC(C)C)cc1 ZINC000008451920 569590939 /nfs/dbraw/zinc/59/09/39/569590939.db2.gz ZNZVMKSWIUWULK-VQIHVGMLSA-N -1 0 474.966 5.072 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008454437 569591457 /nfs/dbraw/zinc/59/14/57/569591457.db2.gz BZJCEZWLZHOVFN-RTWAWAEBSA-N -1 0 483.630 6.469 50 0 JKAARM O=C(Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)Nc1cccc2cccnc21 ZINC000008707628 569594854 /nfs/dbraw/zinc/59/48/54/569594854.db2.gz TXSRTOFVCVONMR-UHFFFAOYSA-N -1 0 486.380 5.524 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000008709556 569595527 /nfs/dbraw/zinc/59/55/27/569595527.db2.gz GXWIOUCUQDXBOY-UHFFFAOYSA-N -1 0 492.553 5.229 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032962036 569602682 /nfs/dbraw/zinc/60/26/82/569602682.db2.gz UMBNIJVYQQVQTA-UHFFFAOYSA-N -1 0 492.641 5.570 50 0 JKAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962141 569602796 /nfs/dbraw/zinc/60/27/96/569602796.db2.gz RVTDZWIFGFRYJJ-UHFFFAOYSA-N -1 0 473.422 5.611 50 0 JKAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962082 569602855 /nfs/dbraw/zinc/60/28/55/569602855.db2.gz QTCCALAVXDMMGO-UHFFFAOYSA-N -1 0 465.358 5.129 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000032962149 569602875 /nfs/dbraw/zinc/60/28/75/569602875.db2.gz SHRQAFORWGPHJT-UHFFFAOYSA-N -1 0 480.630 5.918 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000032962157 569602999 /nfs/dbraw/zinc/60/29/99/569602999.db2.gz SUYXSFXARIOBLC-UHFFFAOYSA-N -1 0 494.657 6.191 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCCCCC1 ZINC000032962198 569603016 /nfs/dbraw/zinc/60/30/16/569603016.db2.gz CYRXDKOIPAMMPF-UHFFFAOYSA-N -1 0 457.379 5.263 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000032962156 569603034 /nfs/dbraw/zinc/60/30/34/569603034.db2.gz DTCPQBJGCFUUIV-UHFFFAOYSA-N -1 0 480.630 6.116 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c1 ZINC000032971088 569603701 /nfs/dbraw/zinc/60/37/01/569603701.db2.gz PUKOCSFDBVLEMA-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5c(cccc5S(C)(=O)=O)s4)sc3c2s1 ZINC000062007432 569610320 /nfs/dbraw/zinc/61/03/20/569610320.db2.gz YXQFTZYSWBYWSZ-UHFFFAOYSA-N -1 0 464.644 5.385 50 0 JKAARM Cc1ccccc1[C@@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)CCC(=O)[O-] ZINC000062602337 569612843 /nfs/dbraw/zinc/61/28/43/569612843.db2.gz JWMNTVFYNUZJAR-SANMLTNESA-N -1 0 477.564 6.061 50 0 JKAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007300 569615458 /nfs/dbraw/zinc/61/54/58/569615458.db2.gz YDKPMOQNYUESHK-UHFFFAOYSA-N -1 0 492.641 5.768 50 0 JKAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)(C)C)ccc3n2)CC1 ZINC000033010384 569616724 /nfs/dbraw/zinc/61/67/24/569616724.db2.gz JSPVHSWBMQFJNU-UHFFFAOYSA-N -1 0 480.996 5.206 50 0 JKAARM Cc1ccc(C(=O)Nc2ccc3nc(N4CCN(c5cccc(C)c5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010327 569616735 /nfs/dbraw/zinc/61/67/35/569616735.db2.gz IDTPJILQXCHXLI-UHFFFAOYSA-N -1 0 480.568 5.129 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(Cc3ccccc3)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000064472348 569617810 /nfs/dbraw/zinc/61/78/10/569617810.db2.gz JCYIERLGAXBIMS-UHFFFAOYSA-N -1 0 487.581 5.096 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4Cl)c(C(=O)[O-])c3)CC2)c1C ZINC000064502379 569618045 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50 0 JKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC ZINC000064796409 569630189 /nfs/dbraw/zinc/63/01/89/569630189.db2.gz IJIBHZMMFNNLRO-MRXNPFEDSA-N -1 0 455.507 5.524 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1OC ZINC000064796842 569630265 /nfs/dbraw/zinc/63/02/65/569630265.db2.gz UDRQLUHPBDEGEV-KRWDZBQOSA-N -1 0 467.543 5.393 50 0 JKAARM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(OC)cc1 ZINC000064796740 569630266 /nfs/dbraw/zinc/63/02/66/569630266.db2.gz DBNYOFJMVNKRPJ-QGZVFWFLSA-N -1 0 467.543 5.393 50 0 JKAARM CCCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC ZINC000064797182 569630385 /nfs/dbraw/zinc/63/03/85/569630385.db2.gz NJNRLWZALRPHFM-QGZVFWFLSA-N -1 0 467.543 5.393 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(C)C ZINC000064797497 569630394 /nfs/dbraw/zinc/63/03/94/569630394.db2.gz WVZBHOHGFKREJO-QGZVFWFLSA-N -1 0 469.534 5.770 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OC(C)C ZINC000064797676 569630396 /nfs/dbraw/zinc/63/03/96/569630396.db2.gz GDLSSZCPTLDEEN-KRWDZBQOSA-N -1 0 469.534 5.912 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OC(C)C ZINC000064797805 569630523 /nfs/dbraw/zinc/63/05/23/569630523.db2.gz QJLSPXKKWWNDSD-MRXNPFEDSA-N -1 0 455.507 5.522 50 0 JKAARM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)n2)cc1 ZINC000064801998 569631508 /nfs/dbraw/zinc/63/15/08/569631508.db2.gz RGYLVQUOLZWWJG-UHFFFAOYSA-N -1 0 463.538 5.521 50 0 JKAARM Cc1ccc(Nc2nc(C)cc(Nc3ccc([N-]S(=O)(=O)c4cccs4)cc3)n2)cc1 ZINC000064802004 569631676 /nfs/dbraw/zinc/63/16/76/569631676.db2.gz SHPJPLQBMYKNBW-UHFFFAOYSA-N -1 0 451.577 5.443 50 0 JKAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000064802112 569631948 /nfs/dbraw/zinc/63/19/48/569631948.db2.gz KDADBLUYERZEJO-UHFFFAOYSA-N -1 0 495.649 5.236 50 0 JKAARM 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/nfs/dbraw/zinc/69/19/56/569691956.db2.gz MEZOLHZZANVSEH-DEOSSOPVSA-N -1 0 456.567 6.231 50 0 JKAARM CC(C)C(=O)Nc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422737 569692806 /nfs/dbraw/zinc/69/28/06/569692806.db2.gz GNBNYZCQLMXWPY-AREMUKBSSA-N -1 0 492.019 5.544 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC000069383078 569692888 /nfs/dbraw/zinc/69/28/88/569692888.db2.gz YRKQQMWZFBYBBX-DEOSSOPVSA-N -1 0 479.536 5.046 50 0 JKAARM CCCC(=O)Nc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422728 569692906 /nfs/dbraw/zinc/69/29/06/569692906.db2.gz JNBUKFFNOMTFJK-HHHXNRCGSA-N -1 0 492.019 5.688 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000069740034 569693685 /nfs/dbraw/zinc/69/36/85/569693685.db2.gz BZTLSEZNFRKZHE-UHFFFAOYSA-N -1 0 497.403 6.714 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000069740032 569693692 /nfs/dbraw/zinc/69/36/92/569693692.db2.gz QYNBVUKQBGFJOC-UHFFFAOYSA-N -1 0 490.195 6.353 50 0 JKAARM CC1(C)C[C@@H](C(=O)[O-])[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000070466441 569695211 /nfs/dbraw/zinc/69/52/11/569695211.db2.gz AOWMBRPPHGNFDX-UPVFEIPXSA-N -1 0 456.711 7.090 50 0 JKAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000035451229 569696699 /nfs/dbraw/zinc/69/66/99/569696699.db2.gz QYAPRQRNXXAZPE-UHFFFAOYSA-N -1 0 489.963 5.185 50 0 JKAARM CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000071769499 569697676 /nfs/dbraw/zinc/69/76/76/569697676.db2.gz JZFSMVXQUWRSIW-MJMFGRRKSA-N -1 0 456.711 7.234 50 0 JKAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4Cl)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000071924260 569699248 /nfs/dbraw/zinc/69/92/48/569699248.db2.gz BMOQMSCPLOYABA-FQEVSTJZSA-N -1 0 472.328 5.093 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000071924254 569699254 /nfs/dbraw/zinc/69/92/54/569699254.db2.gz YWGYJODIWNXVBM-QHCPKHFHSA-N -1 0 470.554 5.143 50 0 JKAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4C)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000071924253 569699266 /nfs/dbraw/zinc/69/92/66/569699266.db2.gz HSHLNECWHZDFHD-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM COc1ccc2cc([C@@H]3CC(c4ccccc4Cl)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000071924242 569699288 /nfs/dbraw/zinc/69/92/88/569699288.db2.gz BOIGTOZCLUVKMZ-FQEVSTJZSA-N -1 0 472.328 5.093 50 0 JKAARM Cc1ccc(Sc2oc(-c3ccc(Cl)cc3)nc2C(=O)[N-]c2noc(-c3ccccc3)n2)cc1 ZINC000072238423 569701058 /nfs/dbraw/zinc/70/10/58/569701058.db2.gz LTCPLBYFUIBGDT-UHFFFAOYSA-N -1 0 488.956 6.757 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3C)C2)cc1 ZINC000072314728 569702110 /nfs/dbraw/zinc/70/21/10/569702110.db2.gz BUGWAQMZAYMXFD-VWLOTQADSA-N -1 0 493.563 5.354 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)ccc1Br ZINC000035557507 569703283 /nfs/dbraw/zinc/70/32/83/569703283.db2.gz SGPLOTWWWBNSRX-UHFFFAOYSA-N -1 0 468.398 5.327 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000035566930 569704965 /nfs/dbraw/zinc/70/49/65/569704965.db2.gz YKOPWPOFWMYZJZ-HMQTVNLESA-N -1 0 472.710 6.204 50 0 JKAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C1)c2-c1ccccc1 ZINC000079047064 569706744 /nfs/dbraw/zinc/70/67/44/569706744.db2.gz WPFFQMGOEBGOPR-XMMPIXPASA-N -1 0 479.536 5.046 50 0 JKAARM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3 ZINC000085877578 569716070 /nfs/dbraw/zinc/71/60/70/569716070.db2.gz PXLRZTWYETUUBN-QFSUHYCJSA-N -1 0 492.524 5.013 50 0 JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3coc5ccc(C)cc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085879190 569716277 /nfs/dbraw/zinc/71/62/77/569716277.db2.gz DSZYJMVYZVMKCX-QGZVFWFLSA-N -1 0 496.471 5.030 50 0 biogenic JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2oc3ccccc3c2C)ccc1C ZINC000089651359 569719410 /nfs/dbraw/zinc/71/94/10/569719410.db2.gz QUYLBCSQAPEKST-UHFFFAOYSA-N -1 0 450.516 5.111 50 0 JKAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(-c3ccco3)nn12 ZINC000090485768 569720915 /nfs/dbraw/zinc/72/09/15/569720915.db2.gz CJWYRFPUPJODAF-OAQYLSRUSA-N -1 0 492.004 5.321 50 0 JKAARM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1C ZINC000035912504 569727558 /nfs/dbraw/zinc/72/75/58/569727558.db2.gz ASKSUUGWCBZZGK-AREMUKBSSA-N -1 0 489.622 5.431 50 0 JKAARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114821 569733787 /nfs/dbraw/zinc/73/37/87/569733787.db2.gz PHZJOEYAYQOVOI-FQEVSTJZSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM O=c1oc2ccc(Cl)cc2c([O-])c1[C@@H]1c2cc(Cl)ccc2Oc2c3ccccc3oc(=O)c21 ZINC000096191559 569737171 /nfs/dbraw/zinc/73/71/71/569737171.db2.gz NDCKKXYEJXSAAM-IBGZPJMESA-N -1 0 479.271 6.198 50 0 JKAARM O=C([O-])c1ccccc1C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000096401656 569740416 /nfs/dbraw/zinc/74/04/16/569740416.db2.gz HFGXQPZPILEJNV-PKODMZNJSA-N -1 0 472.491 6.100 50 0 JKAARM CC(C)(C)CC(C)(C)N(C(=O)c1ccccc1Br)C(=O)c1ccccc1C(=O)[O-] ZINC000096562282 569741051 /nfs/dbraw/zinc/74/10/51/569741051.db2.gz RLRLFAWLAYKEEQ-UHFFFAOYSA-N -1 0 460.368 5.645 50 0 JKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000096562553 569741190 /nfs/dbraw/zinc/74/11/90/569741190.db2.gz SIPNOLJPGURAMJ-PJYBLOJUSA-N -1 0 493.151 5.465 50 0 JKAARM CCOc1cc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc(Br)c1OCC ZINC000096562367 569741224 /nfs/dbraw/zinc/74/12/24/569741224.db2.gz SQVXDIYEHMFLBA-YVLHZVERSA-N -1 0 491.363 5.027 50 0 JKAARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1O ZINC000096564404 569741307 /nfs/dbraw/zinc/74/13/07/569741307.db2.gz MYDZODUVXYNIRP-RGEXLXHISA-N -1 0 494.459 5.730 50 0 JKAARM CCOc1cccc2cc(C(=O)Nc3cc(OC)ccc3OC)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000097898289 569745882 /nfs/dbraw/zinc/74/58/82/569745882.db2.gz MLIUWOMIRKFZCE-SGEDCAFJSA-N -1 0 488.496 5.032 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036006979 569747632 /nfs/dbraw/zinc/74/76/32/569747632.db2.gz UXUOYKZOFGFALT-DURBRWELSA-N -1 0 494.522 5.207 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000097993219 569748697 /nfs/dbraw/zinc/74/86/97/569748697.db2.gz JJWDFMYUDDAENF-JWGURIENSA-N -1 0 450.538 5.888 50 0 JKAARM CCCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c([O-])c2ccccc21 ZINC000100331720 569757606 /nfs/dbraw/zinc/75/76/06/569757606.db2.gz MYJRRJBPKHRPCG-UHFFFAOYSA-N -1 0 498.402 5.646 50 0 JKAARM CCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c([O-])c2ccccc21 ZINC000100504379 569763117 /nfs/dbraw/zinc/76/31/17/569763117.db2.gz XYHQJBHZAFJBNY-UHFFFAOYSA-N -1 0 484.375 5.255 50 0 JKAARM CCCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([O-])c2ccccc21 ZINC000100537070 569764068 /nfs/dbraw/zinc/76/40/68/569764068.db2.gz URUCWLSECWDDJP-UHFFFAOYSA-N -1 0 453.951 5.536 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5ccccc5n(CCC(C)C)c4=O)cc3)sc2c1 ZINC000100658423 569766247 /nfs/dbraw/zinc/76/62/47/569766247.db2.gz GEPBRHAJICOKRB-UHFFFAOYSA-N -1 0 497.620 6.591 50 0 JKAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000100658131 569766284 /nfs/dbraw/zinc/76/62/84/569766284.db2.gz UWTITABITXKKKR-UHFFFAOYSA-N -1 0 455.539 5.564 50 0 JKAARM Cc1cccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c1C ZINC000100721369 569767582 /nfs/dbraw/zinc/76/75/82/569767582.db2.gz PISVECFSJKJLAU-LBNVMWSVSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2-c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000100742138 569768420 /nfs/dbraw/zinc/76/84/20/569768420.db2.gz YHWLBIAXDWQCMA-GGXMVOPNSA-N -1 0 489.527 5.580 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2-c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000100742141 569768496 /nfs/dbraw/zinc/76/84/96/569768496.db2.gz YHWLBIAXDWQCMA-LITSAYRRSA-N -1 0 489.527 5.580 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2-c2ccccc2)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000100742144 569768498 /nfs/dbraw/zinc/76/84/98/569768498.db2.gz YHWLBIAXDWQCMA-WNJJXGMVSA-N -1 0 489.527 5.580 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5cccc6c5n(c4=O)CCC6)cc3)sc2c1 ZINC000100748918 569768714 /nfs/dbraw/zinc/76/87/14/569768714.db2.gz BUUZBFBVVXKTQU-UHFFFAOYSA-N -1 0 467.550 5.491 50 0 JKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000100751417 569768890 /nfs/dbraw/zinc/76/88/90/569768890.db2.gz XLHJIUNOROWIIV-XMMPIXPASA-N -1 0 494.580 5.534 50 0 JKAARM CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)C1=O ZINC000036357211 569771756 /nfs/dbraw/zinc/77/17/56/569771756.db2.gz VFUISXONZZIVHL-JOCHJYFZSA-N -1 0 473.337 5.025 50 0 JKAARM CC(C)CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036357835 569772087 /nfs/dbraw/zinc/77/20/87/569772087.db2.gz RBVUMPZCMYOXEV-RUZDIDTESA-N -1 0 480.973 5.398 50 0 JKAARM CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)C1=O ZINC000036367235 569773154 /nfs/dbraw/zinc/77/31/54/569773154.db2.gz BADWOAOLXORSSS-JOCHJYFZSA-N -1 0 473.337 5.025 50 0 JKAARM COc1ccc(-c2cc(C(F)F)nc([N-]c3nc(-c4cn(C)nc4C)cs3)n2)cc1OC ZINC000036613674 569778114 /nfs/dbraw/zinc/77/81/14/569778114.db2.gz YVETUFBWRLFTQD-UHFFFAOYSA-N -1 0 458.494 5.007 50 0 JKAARM CCc1cccc(C)c1NC(=O)[C@H](Sc1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1)c1ccccc1 ZINC000037019048 569781158 /nfs/dbraw/zinc/78/11/58/569781158.db2.gz RMPVZHCILIJPKV-DPSOFRBRSA-N -1 0 488.609 5.999 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1)C(=O)[O-] ZINC000037018935 569781194 /nfs/dbraw/zinc/78/11/94/569781194.db2.gz ONYDBPOGSIBDOP-DHOHLHFPSA-N -1 0 480.973 5.782 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101149904 569784655 /nfs/dbraw/zinc/78/46/55/569784655.db2.gz MEHNVWVGHSGVRX-VXNXHJTFSA-N -1 0 460.961 5.689 50 0 JKAARM COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000101178244 569786329 /nfs/dbraw/zinc/78/63/29/569786329.db2.gz TXGYZICECONAGD-JRPXNJEYSA-N -1 0 496.563 6.110 50 0 JKAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=Nc3ccccc3S2)s1 ZINC000101494738 569799847 /nfs/dbraw/zinc/79/98/47/569799847.db2.gz GZRYPMJMDOUUAX-HXUWFJFHSA-N -1 0 496.013 5.613 50 0 JKAARM Cc1ccsc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)=Nc2ccccc2S1 ZINC000101494821 569800147 /nfs/dbraw/zinc/80/01/47/569800147.db2.gz TYMHARCVTGXEMT-LJQANCHMSA-N -1 0 496.013 5.613 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(OCC)cc3)C2)c([O-])[nH]c1=S ZINC000101495232 569800386 /nfs/dbraw/zinc/80/03/86/569800386.db2.gz GEQLCYLTWRTJAS-NRFANRHFSA-N -1 0 481.643 6.168 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)cc1 ZINC000101501400 569800850 /nfs/dbraw/zinc/80/08/50/569800850.db2.gz QHAROOYBAVKWIK-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000101501646 569800890 /nfs/dbraw/zinc/80/08/90/569800890.db2.gz ZKINOBSGCRVPKF-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000101501684 569800959 /nfs/dbraw/zinc/80/09/59/569800959.db2.gz WOAHIHZBXCEBIQ-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C)c1 ZINC000101501843 569801071 /nfs/dbraw/zinc/80/10/71/569801071.db2.gz CLMWSWXWQKOKHW-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Br ZINC000038528717 569802332 /nfs/dbraw/zinc/80/23/32/569802332.db2.gz YSSWSOALPZVFGM-NRFANRHFSA-N -1 0 452.304 5.114 50 0 JKAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)c2=O)c1 ZINC000101766789 569804883 /nfs/dbraw/zinc/80/48/83/569804883.db2.gz SUALRPWAXMYCHE-QHCPKHFHSA-N -1 0 469.566 5.206 50 0 JKAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=Nc3ccccc3S2)s1 ZINC000101766828 569805074 /nfs/dbraw/zinc/80/50/74/569805074.db2.gz SPBKRRCCUPSRDJ-JOCHJYFZSA-N -1 0 489.622 5.576 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101836001 569805884 /nfs/dbraw/zinc/80/58/84/569805884.db2.gz IGYFNYOSPXPGIJ-DEOSSOPVSA-N -1 0 471.586 5.060 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101836005 569805904 /nfs/dbraw/zinc/80/59/04/569805904.db2.gz IGYFNYOSPXPGIJ-XMMPIXPASA-N -1 0 471.586 5.060 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000101894601 569807702 /nfs/dbraw/zinc/80/77/02/569807702.db2.gz UXUOYKZOFGFALT-VWYPKUQYSA-N -1 0 494.522 5.207 50 0 JKAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000101894575 569807708 /nfs/dbraw/zinc/80/77/08/569807708.db2.gz CSCRORLZNMBXCM-IDOVBLGQSA-N -1 0 472.589 5.547 50 0 JKAARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102523807 569813833 /nfs/dbraw/zinc/81/38/33/569813833.db2.gz AMWVGTBSLOIBQC-RCRUUEGKSA-N -1 0 480.564 6.410 50 0 JKAARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102523813 569813885 /nfs/dbraw/zinc/81/38/85/569813885.db2.gz AMWVGTBSLOIBQC-SMSORMJASA-N -1 0 480.564 6.410 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102697878 569816032 /nfs/dbraw/zinc/81/60/32/569816032.db2.gz DFOOCTZQRWWJOD-ISJGIBHGSA-N -1 0 454.913 5.544 50 0 JKAARM COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C32)c(OC)c1OC ZINC000102739863 569818964 /nfs/dbraw/zinc/81/89/64/569818964.db2.gz OZJUJEIBZTYYJG-ZUOKHONESA-N -1 0 482.924 5.378 50 0 JKAARM CCCCC[C@@H](C)Cn1c(SCc2cc(=O)n3nc[n-]c3n2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000102986952 569830529 /nfs/dbraw/zinc/83/05/29/569830529.db2.gz IHTQTYRRKAMRQE-GOSISDBHSA-N -1 0 493.681 5.482 50 0 JKAARM CCCc1c(OCCCCOc2cccc(Sc3ccc(C(=O)[O-])cc3)c2)ccc(C(C)=O)c1O ZINC000045068695 569839950 /nfs/dbraw/zinc/83/99/50/569839950.db2.gz OXZOHZCQSYOMJR-UHFFFAOYSA-N -1 0 494.609 6.635 50 0 JKAARM CCCc1c(OCCOc2ccc(Sc3ccccc3C(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000045068701 569839986 /nfs/dbraw/zinc/83/99/86/569839986.db2.gz RLIFCMNYQBLKSP-UHFFFAOYSA-N -1 0 466.555 5.855 50 0 JKAARM CCCc1c(OCCCOc2ccc3sc(C(=O)[O-])c(Cl)c3c2)ccc(C(C)=O)c1O ZINC000045068876 569839988 /nfs/dbraw/zinc/83/99/88/569839988.db2.gz RRCFJPDWIXOIMY-UHFFFAOYSA-N -1 0 462.951 5.962 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000104082648 569840519 /nfs/dbraw/zinc/84/05/19/569840519.db2.gz UTCYFHTZJRINDC-WRONEBCDSA-N -1 0 484.527 6.241 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000104082658 569840537 /nfs/dbraw/zinc/84/05/37/569840537.db2.gz UTCYFHTZJRINDC-ACSYHNTCSA-N -1 0 484.527 6.241 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000104082674 569840540 /nfs/dbraw/zinc/84/05/40/569840540.db2.gz JOISOZCMNGDPJM-SOKVYYICSA-N -1 0 490.556 6.302 50 0 JKAARM Cc1c2c(cc(=O)n1CCC(c1ccccc1)c1ccccc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000050128888 569850346 /nfs/dbraw/zinc/85/03/46/569850346.db2.gz WMUSTIXCQNCPQH-UHFFFAOYSA-N -1 0 453.517 5.150 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccccc4Cl)CCC[C@@H]3[C@H]2c2ccccc2Cl)sc1C(=O)[O-] ZINC000051330197 569851959 /nfs/dbraw/zinc/85/19/59/569851959.db2.gz ONUOOOBDZQOZPY-VLFFJESKSA-N -1 0 498.435 7.258 50 0 JKAARM COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3cccc(C(=O)[O-])c3)C2=S)cc1 ZINC000106055465 569853729 /nfs/dbraw/zinc/85/37/29/569853729.db2.gz KATBPLSCDFKOTM-XSFVSMFZSA-N -1 0 484.599 5.430 50 0 JKAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@@]2(O)C(=O)[O-] ZINC000106937067 569855895 /nfs/dbraw/zinc/85/58/95/569855895.db2.gz BUTZQISUUIVKIG-LSCGWGKXSA-N -1 0 491.950 5.585 50 0 JKAARM CC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000113342344 569861381 /nfs/dbraw/zinc/86/13/81/569861381.db2.gz GUDSEWUOWPVZPC-UHFFFAOYSA-N -1 0 474.622 8.435 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000136621254 569864755 /nfs/dbraw/zinc/86/47/55/569864755.db2.gz LODGTGWMDUNYSX-PWRODBHTSA-N -1 0 483.749 5.154 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170614128 569872916 /nfs/dbraw/zinc/87/29/16/569872916.db2.gz VGDCNLHGVZLHPP-QHCPKHFHSA-N -1 0 484.581 5.452 50 0 JKAARM Cc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000170618373 569873060 /nfs/dbraw/zinc/87/30/60/569873060.db2.gz ZGQNFWHBBHPDQP-HHHXNRCGSA-N -1 0 492.579 5.780 50 0 JKAARM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1cc(Br)ccc1F ZINC000217512506 569880178 /nfs/dbraw/zinc/88/01/78/569880178.db2.gz ACHLOVZEXMQSIF-DEOSSOPVSA-N -1 0 484.321 5.427 50 0 JKAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226815550 570038552 /nfs/dbraw/zinc/03/85/52/570038552.db2.gz HRXCMALIDFAQLU-JIMJEQGWSA-N -1 0 490.531 5.064 50 0 JKAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000226780714 570038599 /nfs/dbraw/zinc/03/85/99/570038599.db2.gz XRTFGOOWIFJYAW-JOCHJYFZSA-N -1 0 455.432 5.712 50 0 JKAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000226780717 570038641 /nfs/dbraw/zinc/03/86/41/570038641.db2.gz XRTFGOOWIFJYAW-QFIPXVFZSA-N -1 0 455.432 5.712 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000226825906 570038836 /nfs/dbraw/zinc/03/88/36/570038836.db2.gz ROEKFNGYBTZDBZ-IDISGSTGSA-N -1 0 488.540 5.270 50 0 JKAARM Cc1[nH]c2ccccc2c1[C@@H]1c2c(O)n(-c3cccc(Cl)c3C)c(O)c2ON1c1ccccc1 ZINC000226907132 570039216 /nfs/dbraw/zinc/03/92/16/570039216.db2.gz XIHVMRAZUQUDDW-ISJGIBHGSA-N -1 0 471.944 5.489 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226991247 570039645 /nfs/dbraw/zinc/03/96/45/570039645.db2.gz KGTCDSBYSHPIRU-WXFUMESZSA-N -1 0 460.961 5.689 50 0 JKAARM O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000229884393 570041750 /nfs/dbraw/zinc/04/17/50/570041750.db2.gz VDJMILZIOPAUCW-IPMKNSEASA-N -1 0 478.879 5.471 50 0 JKAARM Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@@H]3C2=O)c(C)c1 ZINC000230003177 570043325 /nfs/dbraw/zinc/04/33/25/570043325.db2.gz JFEJDPZSSDQMOB-QPTUXGOLSA-N -1 0 491.385 5.425 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccccc3Cl)C[C@H]2C)c1 ZINC000230134690 570045571 /nfs/dbraw/zinc/04/55/71/570045571.db2.gz SNNQAOFJCSWVKS-GOSISDBHSA-N -1 0 463.965 5.314 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189450 570046136 /nfs/dbraw/zinc/04/61/36/570046136.db2.gz SIIKHIDEESCFAH-VIYORZMQSA-N -1 0 491.591 5.060 50 0 JKAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000239297012 570050300 /nfs/dbraw/zinc/05/03/00/570050300.db2.gz DOMKDVRQFVLOLZ-HKQJZWTQSA-N -1 0 491.381 5.255 50 0 JKAARM Cc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239310282 570050679 /nfs/dbraw/zinc/05/06/79/570050679.db2.gz IHIZPTOMMUMKHH-WWDWLDGVSA-N -1 0 460.533 5.368 50 0 JKAARM CCOc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239338968 570050974 /nfs/dbraw/zinc/05/09/74/570050974.db2.gz LMVBGQWMUPPPGU-XHWIWGEHSA-N -1 0 490.559 5.458 50 0 JKAARM O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1 ZINC000239358421 570051209 /nfs/dbraw/zinc/05/12/09/570051209.db2.gz NGKKCMHSBRWVPL-UWPQIUOOSA-N -1 0 480.951 5.713 50 0 JKAARM COc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000245242239 570058770 /nfs/dbraw/zinc/05/87/70/570058770.db2.gz PAOUSIQTYVKBIL-WWDWLDGVSA-N -1 0 476.532 5.068 50 0 JKAARM [O-]c1c(Br)cc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1Br ZINC000245284397 570062469 /nfs/dbraw/zinc/06/24/69/570062469.db2.gz RMZHCZMSGZBOOF-UHFFFAOYSA-N -1 0 473.379 6.323 50 0 JKAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000245309403 570063064 /nfs/dbraw/zinc/06/30/64/570063064.db2.gz CPVCJMVMLUVMEX-DNVJHFABSA-N -1 0 498.457 5.035 50 0 JKAARM Cc1cc2c3c(c1)[C@@H]1[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]1[C@H](C(=O)[O-])N3C[C@H]1CC=C[C@@H]21 ZINC000252394447 570080195 /nfs/dbraw/zinc/08/01/95/570080195.db2.gz LOKOVVPWJUFVII-PSJHQWOESA-N -1 0 497.016 5.722 50 0 JKAARM O=C([O-])Cn1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000252625362 570088291 /nfs/dbraw/zinc/08/82/91/570088291.db2.gz QIEDPFOXYMLHQS-VRXUDNSFSA-N -1 0 453.523 5.535 50 0 JKAARM O=C1C[C@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253402737 570096712 /nfs/dbraw/zinc/09/67/12/570096712.db2.gz GQKVEZZTFOPKCY-MRXNPFEDSA-N -1 0 484.838 5.861 50 0 JKAARM COc1ccccc1[C@H](CC(=O)N1CCCCC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000253413234 570098181 /nfs/dbraw/zinc/09/81/81/570098181.db2.gz UERLFXSLDYZDOE-NRFANRHFSA-N -1 0 499.563 5.414 50 0 biogenic JKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@]21C ZINC000257347122 570152069 /nfs/dbraw/zinc/15/20/69/570152069.db2.gz UUJIBKBLRCGCFZ-KOZHVSGSSA-N -1 0 496.688 6.343 50 0 JKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C ZINC000257347123 570152073 /nfs/dbraw/zinc/15/20/73/570152073.db2.gz UUJIBKBLRCGCFZ-NRCJRXTHSA-N -1 0 496.688 6.343 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257348191 570152384 /nfs/dbraw/zinc/15/23/84/570152384.db2.gz CBBTWAWCVXJVTL-BRKVWLPFSA-N -1 0 468.744 7.296 50 0 JKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCC(=O)[O-])[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000257358974 570153813 /nfs/dbraw/zinc/15/38/13/570153813.db2.gz XSDQBBRWWRPKEO-AVABVSLLSA-N -1 0 476.654 5.620 50 0 JKAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc3ncccc3c2)cc1OC ZINC000263585541 570171223 /nfs/dbraw/zinc/17/12/23/570171223.db2.gz JVTQXRAZPBJQKO-SFHVURJKSA-N -1 0 495.487 5.172 50 0 biogenic JKAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4C2=Cc3ccccc3OC2)cc1OC ZINC000263586512 570171757 /nfs/dbraw/zinc/17/17/57/570171757.db2.gz VDJSOVMZKIXPMQ-GOSISDBHSA-N -1 0 498.487 5.052 50 0 biogenic JKAARM O=P([O-])([O-])[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000328593241 570179051 /nfs/dbraw/zinc/17/90/51/570179051.db2.gz WDJPLTCDNFVQOH-QFIPXVFZSA-N -1 0 467.836 5.206 50 0 JKAARM C[C@@H](C(=O)[O-])N(Cc1c(F)cccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380903400 570185243 /nfs/dbraw/zinc/18/52/43/570185243.db2.gz VUEKRTLWPULBNP-HNNXBMFYSA-N -1 0 453.897 5.703 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2c([C@@H]3CCC(=O)N3Cc3ccc(F)cc3)c3ccccc3n2C)cc1 ZINC000334163627 570185246 /nfs/dbraw/zinc/18/52/46/570185246.db2.gz ZFQDMEQFSUDYLQ-DEOSSOPVSA-N -1 0 491.588 5.290 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000003941107 291568109 /nfs/dbraw/zinc/56/81/09/291568109.db2.gz MDZKJHQSJHYOHJ-RMUAHEEJSA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031163340 291568527 /nfs/dbraw/zinc/56/85/27/291568527.db2.gz XJMYUPJDAFKICJ-CWDMRQHJSA-N -1 0 488.709 5.175 50 0 biogenic,in-vitro JKAARM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917387 193967964 /nfs/dbraw/zinc/96/79/64/193967964.db2.gz HYBYKRKTBLOQIA-UHFFFAOYSA-N -1 0 463.584 5.105 50 0 JKAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001027391 194005223 /nfs/dbraw/zinc/00/52/23/194005223.db2.gz BEZHBIHENGWZFQ-UHFFFAOYSA-N -1 0 471.478 5.455 50 0 JKAARM Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)c2c1CCC2 ZINC000001030320 194005841 /nfs/dbraw/zinc/00/58/41/194005841.db2.gz QSCHQIFGPWNBKN-UHFFFAOYSA-N -1 0 463.584 5.595 50 0 JKAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001043446 194008482 /nfs/dbraw/zinc/00/84/82/194008482.db2.gz RBHOEAGKAAOPLX-UHFFFAOYSA-N -1 0 451.375 5.892 50 0 JKAARM Cc1nc(C)c(-c2cnc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)s1 ZINC000001023959 194004598 /nfs/dbraw/zinc/00/45/98/194004598.db2.gz XZTUTVXRFPPNLO-UHFFFAOYSA-N -1 0 482.431 5.055 50 0 JKAARM CCOc1ccc(NC(=O)c2cccc(OC(=S)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000001051902 194010308 /nfs/dbraw/zinc/01/03/08/194010308.db2.gz BQQUJNGMHMPQSL-UHFFFAOYSA-N -1 0 471.376 5.876 50 0 JKAARM Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21 ZINC000001065167 194013776 /nfs/dbraw/zinc/01/37/76/194013776.db2.gz GTIMHWQAGLUSOG-MRXNPFEDSA-N -1 0 452.190 5.222 50 0 JKAARM COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000001076582 194018404 /nfs/dbraw/zinc/01/84/04/194018404.db2.gz TUCUALPCZUQCEF-UHFFFAOYSA-N -1 0 474.966 5.027 50 0 JKAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1OC ZINC000001076755 194018452 /nfs/dbraw/zinc/01/84/52/194018452.db2.gz UIPRAHALMQGRCD-UHFFFAOYSA-N -1 0 474.966 5.027 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001088487 194021737 /nfs/dbraw/zinc/02/17/37/194021737.db2.gz ZIQNLBNFOUZYCM-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000001097997 194023600 /nfs/dbraw/zinc/02/36/00/194023600.db2.gz NZJYJGPARUWSKU-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)c1 ZINC000001108996 194026738 /nfs/dbraw/zinc/02/67/38/194026738.db2.gz JQAXFFDIOIPSMG-UHFFFAOYSA-N -1 0 462.303 5.252 50 0 JKAARM CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000001110613 194027258 /nfs/dbraw/zinc/02/72/58/194027258.db2.gz MQQVZOLUHBTMSZ-UHFFFAOYSA-N -1 0 458.967 5.409 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(OC)c1 ZINC000001111535 194027855 /nfs/dbraw/zinc/02/78/55/194027855.db2.gz AUVYYFCOVYYHSC-UHFFFAOYSA-N -1 0 488.565 5.424 50 0 JKAARM Cc1ccc(SCC(=O)Nc2cc(NC(=O)CSc3ccc(C)cc3)cc(C(=O)[O-])c2)cc1 ZINC000001117371 194030883 /nfs/dbraw/zinc/03/08/83/194030883.db2.gz OKFXFHMVEFZNHP-UHFFFAOYSA-N -1 0 480.611 5.463 50 0 JKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c1 ZINC000001128014 194037321 /nfs/dbraw/zinc/03/73/21/194037321.db2.gz BYSYYIHUFJBZER-UHFFFAOYSA-N -1 0 493.810 5.772 50 0 JKAARM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c(C)c1 ZINC000001130808 194039074 /nfs/dbraw/zinc/03/90/74/194039074.db2.gz BTTNZDOITGDSJP-UHFFFAOYSA-N -1 0 485.414 5.212 50 0 JKAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)n1 ZINC000001182631 194063644 /nfs/dbraw/zinc/06/36/44/194063644.db2.gz PYXZWXAGILNURT-HSZRJFAPSA-N -1 0 490.610 5.058 50 0 JKAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000001305403 194083154 /nfs/dbraw/zinc/08/31/54/194083154.db2.gz AZZLRESVBGGGBD-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1cccc2cccnc21 ZINC000001431702 194120131 /nfs/dbraw/zinc/12/01/31/194120131.db2.gz HZDGLZQUMSPHFX-UHFFFAOYSA-N -1 0 494.498 5.907 50 0 JKAARM Cc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000001388491 194113923 /nfs/dbraw/zinc/11/39/23/194113923.db2.gz BRSHZASNVPOAFT-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000001391914 194114225 /nfs/dbraw/zinc/11/42/25/194114225.db2.gz ABAWMOHWAAMSEK-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001391877 194114340 /nfs/dbraw/zinc/11/43/40/194114340.db2.gz DEXQKDLYVXEITE-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000001391910 194114368 /nfs/dbraw/zinc/11/43/68/194114368.db2.gz KBCKAAAJMJOIPO-UHFFFAOYSA-N -1 0 489.519 5.530 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000001391878 194114383 /nfs/dbraw/zinc/11/43/83/194114383.db2.gz LOVBKEGENXHCBS-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001391858 194114398 /nfs/dbraw/zinc/11/43/98/194114398.db2.gz XFVHNPVLJYBNQJ-UHFFFAOYSA-N -1 0 473.520 5.829 50 0 JKAARM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc2s1 ZINC000001392857 194114404 /nfs/dbraw/zinc/11/44/04/194114404.db2.gz QEYDNIMPMPTPTB-UHFFFAOYSA-N -1 0 450.752 5.449 50 0 JKAARM COc1cccc([N-]S(=O)(=O)c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)c1 ZINC000001401241 194115068 /nfs/dbraw/zinc/11/50/68/194115068.db2.gz YTZCVNLVLSUTFQ-UHFFFAOYSA-N -1 0 462.902 5.216 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000001408984 194116261 /nfs/dbraw/zinc/11/62/61/194116261.db2.gz YKLYNOHWRPFQOH-ADXZGYQBSA-N -1 0 484.527 6.241 50 0 JKAARM CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000001536875 194127524 /nfs/dbraw/zinc/12/75/24/194127524.db2.gz QAOAOVKBIIKRNL-UHFFFAOYSA-N -1 0 472.094 8.010 50 0 aggregator,investigational JKAARM Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)c(Br)c1 ZINC000001790031 194140963 /nfs/dbraw/zinc/14/09/63/194140963.db2.gz NCMDOXAPWXESOU-UHFFFAOYSA-N -1 0 487.147 6.693 50 0 JKAARM CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000001790013 194140984 /nfs/dbraw/zinc/14/09/84/194140984.db2.gz PDQQOZRSQGPCBV-CQSZACIVSA-N -1 0 450.332 7.136 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(Br)cc21 ZINC000001790020 194141020 /nfs/dbraw/zinc/14/10/20/194141020.db2.gz WHBCJNARYYGNFE-UHFFFAOYSA-N -1 0 463.114 6.929 50 0 JKAARM Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)[O-] ZINC000001727251 194132228 /nfs/dbraw/zinc/13/22/28/194132228.db2.gz CTPFWVHDVOKBSN-UHFFFAOYSA-N -1 0 453.570 5.377 50 0 in-vitro JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001795896 194141811 /nfs/dbraw/zinc/14/18/11/194141811.db2.gz HMTRBVUBZDRDQO-UHFFFAOYSA-N -1 0 486.578 5.411 50 0 JKAARM CCc1ccc2nc(-c3ccc(-c4ccc(Br)c(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001886971 194152571 /nfs/dbraw/zinc/15/25/71/194152571.db2.gz QGZOHXZFNPZJHS-UHFFFAOYSA-N -1 0 456.723 6.838 50 0 JKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000002365907 194160255 /nfs/dbraw/zinc/16/02/55/194160255.db2.gz NTUNLURRMZEDLA-UHFFFAOYSA-N -1 0 468.896 6.766 50 0 JKAARM CCCOc1ccc(Cc2c(Cl)nc(SC)nc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002891761 194167910 /nfs/dbraw/zinc/16/79/10/194167910.db2.gz WMFXNADUSLYWET-UHFFFAOYSA-N -1 0 494.038 5.041 50 0 JKAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccccc2Br)c1 ZINC000002891819 194167938 /nfs/dbraw/zinc/16/79/38/194167938.db2.gz WVDDKGHZPSBZRX-UDWIEESQSA-N -1 0 499.748 5.210 50 0 JKAARM O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 ZINC000002955986 194179634 /nfs/dbraw/zinc/17/96/34/194179634.db2.gz XMWHSYZVNKHNRN-UHFFFAOYSA-N -1 0 453.155 5.629 50 0 JKAARM O=C([O-])c1cc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)ccc1N1CCCCC1 ZINC000002972635 194189355 /nfs/dbraw/zinc/18/93/55/194189355.db2.gz KFWQPAZKWQEIIS-UHFFFAOYSA-N -1 0 488.154 5.789 50 0 JKAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NC4CCCCCC4)cc3)c(=O)c2cc1OCC ZINC000003010313 194203951 /nfs/dbraw/zinc/20/39/51/194203951.db2.gz RTRUVOIAVLSFSE-UHFFFAOYSA-N -1 0 495.645 5.357 50 0 JKAARM CCc1ccc(-n2c3nc(SCC(=O)[O-])n(-c4ccccc4C)c(=O)c3sc2=S)cc1 ZINC000003026741 194211628 /nfs/dbraw/zinc/21/16/28/194211628.db2.gz XJQLDXAZLSYCJI-UHFFFAOYSA-N -1 0 469.613 5.015 50 0 JKAARM COc1ccccc1NC(=S)N(Cc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003035647 194214124 /nfs/dbraw/zinc/21/41/24/194214124.db2.gz KXEIKTAKWOARFZ-UHFFFAOYSA-N -1 0 485.403 5.555 50 0 JKAARM CCc1ccccc1NC(=S)N(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000003036478 194214246 /nfs/dbraw/zinc/21/42/46/194214246.db2.gz JTZCGJIRUASFEI-UHFFFAOYSA-N -1 0 464.587 5.364 50 0 JKAARM Cc1cccc(C)c1NC(=S)N(Cc1cccc(Br)c1)CC1CCC(C(=O)[O-])CC1 ZINC000003036509 194214253 /nfs/dbraw/zinc/21/42/53/194214253.db2.gz AFUCKONWGFGSLR-UHFFFAOYSA-N -1 0 489.479 6.156 50 0 JKAARM CCc1ccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000003036496 194214258 /nfs/dbraw/zinc/21/42/58/194214258.db2.gz JQUMFZWSQBSZKN-UHFFFAOYSA-N -1 0 489.479 6.102 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2ccc(C)cc2)cc1OC ZINC000003036468 194214342 /nfs/dbraw/zinc/21/43/42/194214342.db2.gz YXXZISODYHJJAV-UHFFFAOYSA-N -1 0 450.560 5.110 50 0 JKAARM O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cc(Cl)cc(Br)c1[O-] ZINC000003062726 194222805 /nfs/dbraw/zinc/22/28/05/194222805.db2.gz VKSOBQNMAZMFBD-UHFFFAOYSA-N -1 0 469.722 6.401 50 0 JKAARM O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(Oc4ccccc4)cc2)C3=O)cc1 ZINC000003143986 194231680 /nfs/dbraw/zinc/23/16/80/194231680.db2.gz HTSKAEYAVNJKMB-UHFFFAOYSA-N -1 0 451.434 5.770 50 0 JKAARM O=C([O-])c1cccc(NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1 ZINC000003144052 194231693 /nfs/dbraw/zinc/23/16/93/194231693.db2.gz WRJUAWXAECLUHS-UHFFFAOYSA-N -1 0 450.494 5.408 50 0 JKAARM CCCCN(CCCC)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000003150581 194232590 /nfs/dbraw/zinc/23/25/90/194232590.db2.gz NAYNACAFBLQEGR-UHFFFAOYSA-N -1 0 491.455 5.600 50 0 JKAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)cc1Cl ZINC000003118339 194228066 /nfs/dbraw/zinc/22/80/66/194228066.db2.gz YGBQGUOJWBJRCJ-UHFFFAOYSA-N -1 0 496.032 6.772 50 0 JKAARM O=C([O-])c1cc(-c2ccccc2Br)nc2cc(C(F)(F)F)cc(C(F)(F)F)c21 ZINC000003119519 194228262 /nfs/dbraw/zinc/22/82/62/194228262.db2.gz DSIQCVCPKQOECY-UHFFFAOYSA-N -1 0 464.159 6.400 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 ZINC000003215554 194240560 /nfs/dbraw/zinc/24/05/60/194240560.db2.gz XXMWUMYPOXAHGP-UHFFFAOYSA-N -1 0 460.477 5.099 50 0 JKAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000003215711 194240572 /nfs/dbraw/zinc/24/05/72/194240572.db2.gz URZKCRFZCNFGDC-UHFFFAOYSA-N -1 0 484.602 6.681 50 0 JKAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003206812 194239177 /nfs/dbraw/zinc/23/91/77/194239177.db2.gz HECILJOLXQCOIC-UHFFFAOYSA-N -1 0 454.939 5.226 50 0 JKAARM CN(c1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000003261184 194255174 /nfs/dbraw/zinc/25/51/74/194255174.db2.gz LFYOEWURPFYEDR-UHFFFAOYSA-N -1 0 465.406 5.506 50 0 JKAARM O=S(=O)(c1ccc([N-]c2nnc(-c3sc4ccccc4c3Cl)o2)cc1)N1CCCC1 ZINC000003271575 194258399 /nfs/dbraw/zinc/25/83/99/194258399.db2.gz JCGPIICMVRVFRL-UHFFFAOYSA-N -1 0 460.968 5.133 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000003287564 194265435 /nfs/dbraw/zinc/26/54/35/194265435.db2.gz FBPYUOSOLMZWNO-UHFFFAOYSA-N -1 0 488.565 5.424 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000003289817 194266338 /nfs/dbraw/zinc/26/63/38/194266338.db2.gz RVDHQSZFVNHYEU-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000003305944 194274819 /nfs/dbraw/zinc/27/48/19/194274819.db2.gz DGYQJAWNCJXPHJ-UHFFFAOYSA-N -1 0 470.904 5.145 50 0 JKAARM O=C([O-])CSc1nnc(COc2ccccc2-c2ccccc2)n1-c1ccccc1C(F)(F)F ZINC000003311927 194277148 /nfs/dbraw/zinc/27/71/48/194277148.db2.gz YBVAPAKHCURCNT-UHFFFAOYSA-N -1 0 485.487 5.709 50 0 JKAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000003328144 194284091 /nfs/dbraw/zinc/28/40/91/194284091.db2.gz VBBSXOIVMBVYBW-UHFFFAOYSA-N -1 0 460.968 5.288 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1Cl)c1ccc(Cl)s1 ZINC000003328343 194284335 /nfs/dbraw/zinc/28/43/35/194284335.db2.gz OCXRWQLUVLIYLU-UHFFFAOYSA-N -1 0 469.350 5.682 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000003328456 194284527 /nfs/dbraw/zinc/28/45/27/194284527.db2.gz MXVRLEHLBQCTGN-UHFFFAOYSA-N -1 0 481.386 5.551 50 0 JKAARM O=C(OCc1csc(-c2ccccc2)n1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000003346630 194293409 /nfs/dbraw/zinc/29/34/09/194293409.db2.gz NHOQTVFFNWEHHJ-UHFFFAOYSA-N -1 0 456.570 5.029 50 0 JKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)oc1ccccc12 ZINC000003391272 194311440 /nfs/dbraw/zinc/31/14/40/194311440.db2.gz CRBRHQRBPBTNEX-UHFFFAOYSA-N -1 0 489.393 6.433 50 0 JKAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000003385958 194310547 /nfs/dbraw/zinc/31/05/47/194310547.db2.gz WRKQYRZONDMDKU-UHFFFAOYSA-N -1 0 470.904 5.145 50 0 JKAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000003458824 194330379 /nfs/dbraw/zinc/33/03/79/194330379.db2.gz OIMGAJZDOBRJEE-UHFFFAOYSA-N -1 0 481.357 5.064 50 0 JKAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CC=C(c2ccccc2)CC1 ZINC000003441240 194325443 /nfs/dbraw/zinc/32/54/43/194325443.db2.gz XXDAUYAUJRZDOT-UHFFFAOYSA-N -1 0 493.437 5.785 50 0 JKAARM COc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(Cl)cc2Cl)cc1 ZINC000003458358 194330244 /nfs/dbraw/zinc/33/02/44/194330244.db2.gz RDKSZCAIJHTJEB-UHFFFAOYSA-N -1 0 479.385 5.041 50 0 JKAARM O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635617 194345224 /nfs/dbraw/zinc/34/52/24/194345224.db2.gz ZZVSIRZCAYUXBC-UHFFFAOYSA-N -1 0 486.593 6.303 50 0 JKAARM Cc1oc2c(cc([N-]S(=O)(=O)c3cccc4cccnc43)c3ccccc23)c1C(=O)OC(C)C ZINC000003656722 194353500 /nfs/dbraw/zinc/35/35/00/194353500.db2.gz WKYHYCFEUVPIFD-UHFFFAOYSA-N -1 0 474.538 5.809 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000003881984 194366436 /nfs/dbraw/zinc/36/64/36/194366436.db2.gz MIJYXULNPSFWEK-OXMWSNLISA-N -1 0 456.711 7.234 50 0 biogenic JKAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000003882112 194366715 /nfs/dbraw/zinc/36/67/15/194366715.db2.gz SHMQLCFNRHPQHR-JTHBVZDNSA-N -1 0 471.900 5.002 50 0 biogenic JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000003947451 194366966 /nfs/dbraw/zinc/36/69/66/194366966.db2.gz MIJYXULNPSFWEK-ZRYQPDKHSA-N -1 0 456.711 7.234 50 0 JKAARM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000003947450 194366968 /nfs/dbraw/zinc/36/69/68/194366968.db2.gz MIJYXULNPSFWEK-PCFVMNCPSA-N -1 0 456.711 7.234 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000003947449 194367083 /nfs/dbraw/zinc/36/70/83/194367083.db2.gz MIJYXULNPSFWEK-CFLIZBJSSA-N -1 0 456.711 7.234 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000003978829 194368046 /nfs/dbraw/zinc/36/80/46/194368046.db2.gz WCGUUGGRBIKTOS-HZPAWTIVSA-N -1 0 456.711 7.090 50 0 biogenic,in-vitro JKAARM O=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000003666998 194357127 /nfs/dbraw/zinc/35/71/27/194357127.db2.gz BSXIGUFBRLXXII-UHFFFAOYSA-N -1 0 478.551 7.996 50 0 JKAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000004199844 194384307 /nfs/dbraw/zinc/38/43/07/194384307.db2.gz AKNZPLGRLJFZQL-ZWKOTPCHSA-N -1 0 455.576 5.413 50 0 JKAARM CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000004410161 194389255 /nfs/dbraw/zinc/38/92/55/194389255.db2.gz XFIWQQAILDPLJC-GNSBNEHLSA-N -1 0 475.629 5.702 50 0 JKAARM CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13 ZINC000004410160 194389318 /nfs/dbraw/zinc/38/93/18/194389318.db2.gz XFIWQQAILDPLJC-ACSMPARLSA-N -1 0 475.629 5.702 50 0 JKAARM CC(C)(C)OC(=O)N1CCC(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000004284079 194386963 /nfs/dbraw/zinc/38/69/63/194386963.db2.gz JVDSTYGNXVJVKL-DEOSSOPVSA-N -1 0 494.588 5.016 50 0 JKAARM CC(C)(C)OC(=O)N1CCC(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000004284225 194386993 /nfs/dbraw/zinc/38/69/93/194386993.db2.gz JVDSTYGNXVJVKL-XMMPIXPASA-N -1 0 494.588 5.016 50 0 JKAARM CCCCOc1cc(C(F)(F)F)nc2ccc(CS(=O)(=O)c3nc4ccccc4[n-]3)cc21 ZINC000006017615 194410359 /nfs/dbraw/zinc/41/03/59/194410359.db2.gz GTLJRBXOUKUIDK-UHFFFAOYSA-N -1 0 463.481 5.283 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000008455883 194453735 /nfs/dbraw/zinc/45/37/35/194453735.db2.gz TWPDCEJRGGNGBO-UXHICEINSA-N -1 0 471.619 5.928 50 0 JKAARM COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)[O-])cc1 ZINC000008892471 194489329 /nfs/dbraw/zinc/48/93/29/194489329.db2.gz YKYQAINIKBCLTM-DHIUTWEWSA-N -1 0 453.336 5.058 50 0 JKAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc(N2Cc3ccccc3C2)cc1 ZINC000009095715 194527358 /nfs/dbraw/zinc/52/73/58/194527358.db2.gz PCJQBCHBNKLRKJ-UHFFFAOYSA-N -1 0 485.971 5.730 50 0 JKAARM COC(=O)c1c([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000009339714 194700865 /nfs/dbraw/zinc/70/08/65/194700865.db2.gz SWMPBHIIFBCHGG-UHFFFAOYSA-N -1 0 494.457 5.466 50 0 JKAARM COc1ccc(Br)cc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc(Cl)cc2)n1 ZINC000009406681 194747463 /nfs/dbraw/zinc/74/74/63/194747463.db2.gz AEYYOSFFZFZLAJ-UHFFFAOYSA-N -1 0 458.699 5.415 50 0 JKAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000009891858 195015519 /nfs/dbraw/zinc/01/55/19/195015519.db2.gz ILXWPXHMNRPEJP-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM O=C([O-])c1cc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1N1CCOCC1 ZINC000009892659 195016658 /nfs/dbraw/zinc/01/66/58/195016658.db2.gz HKNQOIAICLSSBO-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM O=C([O-])c1cc(NCc2ccccc2OCc2ccccc2Cl)ccc1N1CCOCC1 ZINC000009892658 195016708 /nfs/dbraw/zinc/01/67/08/195016708.db2.gz NTRJKWBIKLVELD-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C(C)C)cc3)ccc2Cl)cc1 ZINC000012643054 195072385 /nfs/dbraw/zinc/07/23/85/195072385.db2.gz YYHGAZJKPZDKPX-UHFFFAOYSA-N -1 0 458.967 5.525 50 0 JKAARM COc1cccc(-c2nc(CSc3ncc(C(=O)[O-])n3-c3ccccc3)cs2)c1OC ZINC000012627576 195060157 /nfs/dbraw/zinc/06/01/57/195060157.db2.gz NAAIHNXCLDPGPB-UHFFFAOYSA-N -1 0 453.545 5.004 50 0 JKAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2ccc(F)cc2)s1 ZINC000012747867 195103460 /nfs/dbraw/zinc/10/34/60/195103460.db2.gz XLMKGVUHTDLSKK-UHFFFAOYSA-N -1 0 471.000 5.129 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000012770731 195117444 /nfs/dbraw/zinc/11/74/44/195117444.db2.gz DEJLZQKCCMFLBH-UHFFFAOYSA-N -1 0 467.349 5.423 50 0 JKAARM COCCCn1c(SCc2c(C(=O)[O-])sc3cccc(F)c32)nnc1-c1ccccc1Cl ZINC000012852159 195155243 /nfs/dbraw/zinc/15/52/43/195155243.db2.gz BJBIRCJRAAFXEA-UHFFFAOYSA-N -1 0 491.997 5.979 50 0 JKAARM COc1cccc2cc(C(=O)Nc3ccc(F)c(Cl)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616697 195188369 /nfs/dbraw/zinc/18/83/69/195188369.db2.gz OCMBBMFQJYSISK-NFFVHWSESA-N -1 0 466.852 5.417 50 0 JKAARM Cc1cc(C)c(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000020679317 195203342 /nfs/dbraw/zinc/20/33/42/195203342.db2.gz NOLHHNRQOXXDJZ-UHFFFAOYSA-N -1 0 497.458 6.472 50 0 JKAARM CCOc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000020880488 195236408 /nfs/dbraw/zinc/23/64/08/195236408.db2.gz YUYPMLMBHCEVMQ-UHFFFAOYSA-N -1 0 460.357 6.590 50 0 JKAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C ZINC000020989895 195261713 /nfs/dbraw/zinc/26/17/13/195261713.db2.gz IWXMRRPUUVFADX-UHFFFAOYSA-N -1 0 491.963 5.131 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000058416363 195379276 /nfs/dbraw/zinc/37/92/76/195379276.db2.gz LEAYKJNXISKJKE-UHFFFAOYSA-N -1 0 458.539 5.415 50 0 JKAARM CCN(CCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000058065229 195363860 /nfs/dbraw/zinc/36/38/60/195363860.db2.gz CVBPZELOXOJLPY-UHFFFAOYSA-N -1 0 452.620 6.131 50 0 JKAARM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058638837 195380168 /nfs/dbraw/zinc/38/01/68/195380168.db2.gz WLNARFZDISHUGS-MIXBDBMTSA-N -1 0 486.737 7.804 50 0 in-vitro JKAARM Cc1cccc([C@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095946307 129944921 /nfs/dbraw/zinc/94/49/21/129944921.db2.gz APSMBGHQHJAYNI-AREMUKBSSA-N -1 0 477.564 6.061 50 0 JKAARM COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000102876548 130348539 /nfs/dbraw/zinc/34/85/39/130348539.db2.gz NAITZCJSJMMPRK-QFIPXVFZSA-N -1 0 471.395 6.652 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102891882 130373414 /nfs/dbraw/zinc/37/34/14/130373414.db2.gz JQIQZZULVDDAMS-HHHXNRCGSA-N -1 0 474.601 6.641 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)cc1 ZINC000046141299 518385164 /nfs/dbraw/zinc/38/51/64/518385164.db2.gz AQKQVULUHSZJCJ-UHFFFAOYSA-N -1 0 473.963 5.430 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)c1 ZINC000065008851 518447219 /nfs/dbraw/zinc/44/72/19/518447219.db2.gz GBHUWVCYCMFAQJ-UHFFFAOYSA-N -1 0 469.563 5.267 50 0 JKAARM CC(C)(C)OC(=O)NCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000070051628 518829539 /nfs/dbraw/zinc/82/95/39/518829539.db2.gz MYQXEVZHWDILHG-HHHXNRCGSA-N -1 0 482.577 5.063 50 0 JKAARM CC(C)(C)OC(=O)NCCCC[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632604 518830171 /nfs/dbraw/zinc/83/01/71/518830171.db2.gz CVSRIVMKVMATII-IBGZPJMESA-N -1 0 496.604 5.454 50 0 JKAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3cccc(Br)c3)c2)n1 ZINC000033297834 519078562 /nfs/dbraw/zinc/07/85/62/519078562.db2.gz PKGZYFNQELVXCY-UHFFFAOYSA-N -1 0 457.440 5.732 50 0 JKAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065011012 519726984 /nfs/dbraw/zinc/72/69/84/519726984.db2.gz MRLNIGYETBPURS-UHFFFAOYSA-N -1 0 497.617 5.133 50 0 JKAARM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)n1 ZINC000033297718 519853297 /nfs/dbraw/zinc/85/32/97/519853297.db2.gz HVPPEHCRAZSRQE-UHFFFAOYSA-N -1 0 461.403 5.697 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@H](C)C(=O)[O-])CC[C@@H]1C ZINC000016102108 520177166 /nfs/dbraw/zinc/17/71/66/520177166.db2.gz HSZFOQSMGNAIJM-YTBJRNJNSA-N -1 0 465.634 6.213 50 0 JKAARM CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000004124278 520221937 /nfs/dbraw/zinc/22/19/37/520221937.db2.gz XZYFVNJYAXNICQ-PDWMJMLSSA-N -1 0 459.539 5.115 50 0 JKAARM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439226 520230469 /nfs/dbraw/zinc/23/04/69/520230469.db2.gz IKAACMMHSYRLJM-UHFFFAOYSA-N -1 0 470.374 6.196 50 0 JKAARM CCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000008397460 520330001 /nfs/dbraw/zinc/33/00/01/520330001.db2.gz JEXBIPROIDELAV-UHFFFAOYSA-N -1 0 491.657 6.074 50 0 JKAARM CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000014009842 520624867 /nfs/dbraw/zinc/62/48/67/520624867.db2.gz JCBTWQGMFUTFQP-CIAFOILYSA-N -1 0 492.915 5.113 50 0 JKAARM CCCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002413590 520725756 /nfs/dbraw/zinc/72/57/56/520725756.db2.gz DWVCNCPDTZERQI-UHFFFAOYSA-N -1 0 482.587 5.193 50 0 JKAARM 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Cc1ccc(S(=O)(=O)Nc2ccc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253703 525605141 /nfs/dbraw/zinc/60/51/41/525605141.db2.gz LHAOWVBMXWBPCA-UHFFFAOYSA-N -1 0 462.571 5.096 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006142862 525617769 /nfs/dbraw/zinc/61/77/69/525617769.db2.gz VXQGOCYQZDHQLP-UHFFFAOYSA-N -1 0 492.910 6.155 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3s2)cc1 ZINC000013349076 525618262 /nfs/dbraw/zinc/61/82/62/525618262.db2.gz SHRPCUDEJDQIBY-UHFFFAOYSA-N -1 0 474.514 5.328 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3Cl)sc2c1 ZINC000033289271 525656725 /nfs/dbraw/zinc/65/67/25/525656725.db2.gz MBSHUTMDMIMDOV-UHFFFAOYSA-N -1 0 465.383 6.080 50 0 JKAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)nc(=O)c12 ZINC000016091329 525666999 /nfs/dbraw/zinc/66/69/99/525666999.db2.gz AYOYBRUWSRBVPP-SAPNQHFASA-N -1 0 479.561 6.631 50 0 JKAARM C[C@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000006140614 525679800 /nfs/dbraw/zinc/67/98/00/525679800.db2.gz MLEJYKTVEPMFGE-AWEZNQCLSA-N -1 0 473.385 5.911 50 0 JKAARM Cc1ccnc(O[C@@H](C(=O)[O-])[C@@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013943612 525706336 /nfs/dbraw/zinc/70/63/36/525706336.db2.gz XEIWZNDIXNFDDV-RPLLCQBOSA-N -1 0 474.557 5.633 50 0 JKAARM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(=O)[O-])nnc2-c2cc3ccccc3o2)cc1 ZINC000033271208 525900850 /nfs/dbraw/zinc/90/08/50/525900850.db2.gz KNOFAPKJAFDNJR-UHFFFAOYSA-N -1 0 484.537 5.418 50 0 JKAARM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002617856 525940675 /nfs/dbraw/zinc/94/06/75/525940675.db2.gz HCAZNEXLMRQBKH-UHFFFAOYSA-N -1 0 492.376 5.013 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2oc1C(=O)N1CCCCCC1 ZINC000065010906 525941831 /nfs/dbraw/zinc/94/18/31/525941831.db2.gz PFBSAAOJGAOVJF-UHFFFAOYSA-N -1 0 475.010 5.828 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2oc1C(=O)N1CCCCCC1 ZINC000065010995 525942137 /nfs/dbraw/zinc/94/21/37/525942137.db2.gz LQPTUAZZSWLKOU-UHFFFAOYSA-N -1 0 472.582 5.623 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2oc1C(=O)N1CCCC1 ZINC000065010539 525942650 /nfs/dbraw/zinc/94/26/50/525942650.db2.gz CXGLCRMNLZQKTP-UHFFFAOYSA-N -1 0 496.507 5.293 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2oc1C(=O)N1CCCC1 ZINC000065010437 525943049 /nfs/dbraw/zinc/94/30/49/525943049.db2.gz BQBINAGNKNWSCU-UHFFFAOYSA-N -1 0 460.983 5.357 50 0 JKAARM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3s2)cc1 ZINC000033116499 526230638 /nfs/dbraw/zinc/23/06/38/526230638.db2.gz SVARPEJTIRWWCD-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@H](c4ccccc4)C3)c(-c3ccccc3)c2c1 ZINC000006408045 526255195 /nfs/dbraw/zinc/25/51/95/526255195.db2.gz XQJPEWBUQJWABE-DEOSSOPVSA-N -1 0 479.536 5.458 50 0 JKAARM Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000033415584 526297781 /nfs/dbraw/zinc/29/77/81/526297781.db2.gz DSOZSZNIHHKIOZ-GDNBJRDFSA-N -1 0 458.370 6.172 50 0 JKAARM O=C([O-])[C@H](COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000025584673 526303632 /nfs/dbraw/zinc/30/36/32/526303632.db2.gz KZPZBFSMBCMNFT-HSZRJFAPSA-N -1 0 460.917 5.147 50 0 JKAARM [O-]c1c([C@@H](c2ccccc2Cl)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851867 526331792 /nfs/dbraw/zinc/33/17/92/526331792.db2.gz UZWXBFJGXMBENE-OAQYLSRUSA-N -1 0 492.004 5.321 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1cccc(C(F)(F)F)c1 ZINC000033405238 526341478 /nfs/dbraw/zinc/34/14/78/526341478.db2.gz UMHGBBVFMLIPFE-MOSHPQCFSA-N -1 0 474.482 6.508 50 0 JKAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033078722 526351295 /nfs/dbraw/zinc/35/12/95/526351295.db2.gz JVBVAYBLSNAGET-UHFFFAOYSA-N -1 0 487.453 5.122 50 0 JKAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000011767274 526396273 /nfs/dbraw/zinc/39/62/73/526396273.db2.gz SHMQLCFNRHPQHR-FYYLOGMGSA-N -1 0 471.900 5.002 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000013895475 526396724 /nfs/dbraw/zinc/39/67/24/526396724.db2.gz JSAPACGCLJWSBK-UHFFFAOYSA-N -1 0 489.380 5.816 50 0 JKAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000040285585 526559791 /nfs/dbraw/zinc/55/97/91/526559791.db2.gz XWCRBZRHARWVKA-KRWDZBQOSA-N -1 0 474.369 5.332 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2)c1C ZINC000012525844 526641654 /nfs/dbraw/zinc/64/16/54/526641654.db2.gz XCZCVPAGIJTPIG-UHFFFAOYSA-N -1 0 499.639 5.698 50 0 JKAARM Cc1oc(C(C)(C)C)cc1-c1cc([N-]S(=O)(=O)c2cccc(F)c2)n(-c2cc(C)cc(C)c2)n1 ZINC000012369533 526762424 /nfs/dbraw/zinc/76/24/24/526762424.db2.gz AKDVOLBWSPPZFW-UHFFFAOYSA-N -1 0 481.593 6.295 50 0 JKAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695431 527046700 /nfs/dbraw/zinc/04/67/00/527046700.db2.gz AFTPUTHFBRVMRI-ZZLYJBIYSA-N -1 0 469.516 5.244 50 0 JKAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000045941140 527096312 /nfs/dbraw/zinc/09/63/12/527096312.db2.gz XDUNFSHFWKBORS-UHFFFAOYSA-N -1 0 499.633 5.266 50 0 JKAARM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146956 527104367 /nfs/dbraw/zinc/10/43/67/527104367.db2.gz HZUAVMVACBEGDE-UHFFFAOYSA-N -1 0 472.847 5.551 50 0 JKAARM O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000016425661 527155478 /nfs/dbraw/zinc/15/54/78/527155478.db2.gz OTBCPGZLYDRVBP-UHFFFAOYSA-N -1 0 465.756 5.156 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627257 527206374 /nfs/dbraw/zinc/20/63/74/527206374.db2.gz NZAICLFBDXZRIL-IBGZPJMESA-N -1 0 492.407 5.162 50 0 JKAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157781 527207117 /nfs/dbraw/zinc/20/71/17/527207117.db2.gz FGCYBEOLTKRYBW-IBGZPJMESA-N -1 0 474.417 5.023 50 0 JKAARM Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000021883961 527208949 /nfs/dbraw/zinc/20/89/49/527208949.db2.gz HBMRERQSYXEBOD-UHFFFAOYSA-N -1 0 497.985 5.464 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1)c1cccs1 ZINC000033276470 527246328 /nfs/dbraw/zinc/24/63/28/527246328.db2.gz DAKRLGQBWQGYDS-UHFFFAOYSA-N -1 0 462.350 5.028 50 0 JKAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000065009753 527248388 /nfs/dbraw/zinc/24/83/88/527248388.db2.gz DKCBSMKPDHJCAO-UHFFFAOYSA-N -1 0 463.890 5.539 50 0 JKAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000065009821 527249333 /nfs/dbraw/zinc/24/93/33/527249333.db2.gz HUDQOAYVDFFBHK-UHFFFAOYSA-N -1 0 459.471 5.155 50 0 JKAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004883 527251194 /nfs/dbraw/zinc/25/11/94/527251194.db2.gz VZWZQLJJHHSZTA-UHFFFAOYSA-N -1 0 453.383 5.624 50 0 JKAARM O=S(=O)([N-]c1cccc(-c2nc(-c3cccc(Br)c3)co2)c1)c1cccs1 ZINC000033139009 527252347 /nfs/dbraw/zinc/25/23/47/527252347.db2.gz PCLJTHLAPKKONK-UHFFFAOYSA-N -1 0 461.362 5.633 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000002428502 527258637 /nfs/dbraw/zinc/25/86/37/527258637.db2.gz YDZSSJQVPGUJSF-UHFFFAOYSA-N -1 0 493.803 6.003 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000017209047 527259739 /nfs/dbraw/zinc/25/97/39/527259739.db2.gz LSSFBLRAECXLIP-UHFFFAOYSA-N -1 0 497.766 6.274 50 0 JKAARM O=C(Nc1ccc2ccccc2c1)c1cccc(OC(=S)[N-]c2ccc(Br)cc2)c1 ZINC000003079487 527297565 /nfs/dbraw/zinc/29/75/65/527297565.db2.gz XTEKREQIXJAPBC-UHFFFAOYSA-N -1 0 477.383 6.630 50 0 JKAARM O=C(Nc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1)c1ccco1 ZINC000033122881 527312428 /nfs/dbraw/zinc/31/24/28/527312428.db2.gz UCYFUEWKYAYLME-UHFFFAOYSA-N -1 0 492.538 5.111 50 0 JKAARM Nc1c(-c2n[n-]c(=S)n2-c2ccccc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000008636626 527423229 /nfs/dbraw/zinc/42/32/29/527423229.db2.gz IAJMOWZEKCZJNU-UHFFFAOYSA-N -1 0 478.606 6.518 50 0 JKAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cc(Cl)cc(Cl)c4)c(Cl)c1=O)(C3)C2 ZINC000016383391 527559804 /nfs/dbraw/zinc/55/98/04/527559804.db2.gz YBGXURNZFKFAGA-RXLCVDQRSA-N -1 0 468.768 5.327 50 0 JKAARM O=C([O-])CCCCCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044122476 527577650 /nfs/dbraw/zinc/57/76/50/527577650.db2.gz JPSYGKLZPQMABW-UHFFFAOYSA-N -1 0 460.683 8.307 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000014632597 527633099 /nfs/dbraw/zinc/63/30/99/527633099.db2.gz PEYWNXMITXNNRZ-NDEPHWFRSA-N -1 0 463.533 6.408 50 0 JKAARM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091351886 527647971 /nfs/dbraw/zinc/64/79/71/527647971.db2.gz UAHPXJGYPMHWRP-JOCHJYFZSA-N -1 0 456.325 5.528 50 0 JKAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000000655585 553735829 /nfs/dbraw/zinc/73/58/29/553735829.db2.gz CYSSJPNANHLEEG-UHFFFAOYSA-N -1 0 480.461 6.198 50 0 JKAARM COC(=O)c1c([N-]C(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCCCC2 ZINC000000721348 553773023 /nfs/dbraw/zinc/77/30/23/553773023.db2.gz HTNWBISPHUUTTA-UHFFFAOYSA-N -1 0 498.445 5.450 50 0 JKAARM COc1ccc(O)c([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)c1 ZINC000000759630 553778307 /nfs/dbraw/zinc/77/83/07/553778307.db2.gz BBCIKMQCVZXLTC-HXUWFJFHSA-N -1 0 477.460 5.745 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000802070 553784509 /nfs/dbraw/zinc/78/45/09/553784509.db2.gz HWXAITQKFHOMLE-UHFFFAOYSA-N -1 0 469.777 6.008 50 0 JKAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000000842081 553793587 /nfs/dbraw/zinc/79/35/87/553793587.db2.gz JVWXUQOXNQXSLR-QHCPKHFHSA-N -1 0 463.331 5.378 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2)no1 ZINC000000948693 553879856 /nfs/dbraw/zinc/87/98/56/553879856.db2.gz GXMNGQIETAGMPI-UHFFFAOYSA-N -1 0 481.386 5.958 50 0 JKAARM CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000955771 553883419 /nfs/dbraw/zinc/88/34/19/553883419.db2.gz KYMCUOMTTMFVIA-UHFFFAOYSA-N -1 0 482.949 5.004 50 0 JKAARM COc1ccc(-n2c(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)n[n-]c2=S)cc1 ZINC000000984822 553892863 /nfs/dbraw/zinc/89/28/63/553892863.db2.gz TXDDBVAPHACDPG-UHFFFAOYSA-N -1 0 471.611 6.288 50 0 JKAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000988805 553894084 /nfs/dbraw/zinc/89/40/84/553894084.db2.gz APQYDBNZWDODQH-UHFFFAOYSA-N -1 0 453.951 5.736 50 0 JKAARM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001057594 553902099 /nfs/dbraw/zinc/90/20/99/553902099.db2.gz RSQTXOOIHYIUJO-UHFFFAOYSA-N -1 0 454.857 5.412 50 0 JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@H](c4ccco4)C3)c(-c3ccccc3)c2c1 ZINC000001077321 553904544 /nfs/dbraw/zinc/90/45/44/553904544.db2.gz UAPUFADEBJNDIG-NRFANRHFSA-N -1 0 469.497 5.051 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000001175719 553926039 /nfs/dbraw/zinc/92/60/39/553926039.db2.gz XVHNMPNHOSZPPT-UNOMPAQXSA-N -1 0 466.852 5.270 50 0 JKAARM CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)[O-])cc2Br)ccc1O ZINC000001494227 553977306 /nfs/dbraw/zinc/97/73/06/553977306.db2.gz VPCSYAVXDAUHLT-UHFFFAOYSA-N -1 0 487.144 5.246 50 0 investigational JKAARM O=C(c1ccccc1)N(c1c(Cl)c(Cl)c([O-])c(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000001797957 553991515 /nfs/dbraw/zinc/99/15/15/553991515.db2.gz MSXZOWJZNTWBMS-UHFFFAOYSA-N -1 0 491.179 6.042 50 0 JKAARM O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000001919881 554004945 /nfs/dbraw/zinc/00/49/45/554004945.db2.gz OSSDLYHXWORNAE-UHFFFAOYSA-N -1 0 465.130 5.945 50 0 JKAARM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])SC(=S)N1Cc1ccccc1 ZINC000002050661 554011139 /nfs/dbraw/zinc/01/11/39/554011139.db2.gz ZBQFVRZXQSTNQR-AUWJEWJLSA-N -1 0 485.222 5.319 50 0 JKAARM CCCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000002094348 554038207 /nfs/dbraw/zinc/03/82/07/554038207.db2.gz HVVFCWVHDHCVLN-GOSISDBHSA-N -1 0 487.379 5.395 50 0 JKAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002100091 554042386 /nfs/dbraw/zinc/04/23/86/554042386.db2.gz MJAALYDNOUBWAK-QFIPXVFZSA-N -1 0 461.514 5.207 50 0 biogenic JKAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc1c2C ZINC000002100657 554042613 /nfs/dbraw/zinc/04/26/13/554042613.db2.gz ZMRMUQGYYLPPPC-UHFFFAOYSA-N -1 0 487.552 5.042 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002107863 554047631 /nfs/dbraw/zinc/04/76/31/554047631.db2.gz ZCLULMKLHSYXEH-JOCHJYFZSA-N -1 0 495.959 5.171 50 0 biogenic JKAARM Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(C(=O)[O-])cc2)Nc2ccccc2-3)cc1 ZINC000002113845 554052281 /nfs/dbraw/zinc/05/22/81/554052281.db2.gz GDJSUWKILGVFCJ-JOCHJYFZSA-N -1 0 456.527 5.341 50 0 JKAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002113989 554052287 /nfs/dbraw/zinc/05/22/87/554052287.db2.gz MRNMWKGFVUIVFX-HXUWFJFHSA-N -1 0 455.551 5.146 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002115881 554053402 /nfs/dbraw/zinc/05/34/02/554053402.db2.gz UWIMGWVOJPYTOY-QFIPXVFZSA-N -1 0 475.541 5.289 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117886 554054211 /nfs/dbraw/zinc/05/42/11/554054211.db2.gz SBXNUUFQPCEKRU-ZLOXQWCVSA-N -1 0 495.959 5.634 50 0 biogenic JKAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002118141 554054259 /nfs/dbraw/zinc/05/42/59/554054259.db2.gz HJKBOERIDJKGHW-QHCPKHFHSA-N -1 0 489.568 5.824 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000002120622 554055621 /nfs/dbraw/zinc/05/56/21/554055621.db2.gz SDLLQDBVRVEZIP-NDEPHWFRSA-N -1 0 495.531 5.698 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002120627 554055640 /nfs/dbraw/zinc/05/56/40/554055640.db2.gz GSFQMTCTVBCUAV-UHFFFAOYSA-N -1 0 487.552 5.387 50 0 biogenic JKAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002120469 554055662 /nfs/dbraw/zinc/05/56/62/554055662.db2.gz MLPCEGZRKGNKTO-NRFANRHFSA-N -1 0 481.932 5.388 50 0 biogenic JKAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002123119 554057095 /nfs/dbraw/zinc/05/70/95/554057095.db2.gz QEBIYIVZDRVSTE-NRFANRHFSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002123804 554057368 /nfs/dbraw/zinc/05/73/68/554057368.db2.gz YVIZJMFPEQMUCW-WZQKQDCOSA-N -1 0 475.541 5.371 50 0 biogenic JKAARM Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(Br)cc2)c2ccccc2C(=O)[O-])c1 ZINC000002157434 554073201 /nfs/dbraw/zinc/07/32/01/554073201.db2.gz JQKHEEPTBDXPAD-UHFFFAOYSA-N -1 0 496.401 6.191 50 0 JKAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000002159333 554073775 /nfs/dbraw/zinc/07/37/75/554073775.db2.gz HCVJTPGPAUQTBA-QFIPXVFZSA-N -1 0 481.932 5.244 50 0 biogenic JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002158673 554073777 /nfs/dbraw/zinc/07/37/77/554073777.db2.gz FILICPQBOYAFHZ-UHFFFAOYSA-N -1 0 467.562 5.003 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCCCC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002158786 554073797 /nfs/dbraw/zinc/07/37/97/554073797.db2.gz MFGRWIAGLVSZAV-UHFFFAOYSA-N -1 0 481.932 5.472 50 0 biogenic JKAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)cc1 ZINC000002159238 554073818 /nfs/dbraw/zinc/07/38/18/554073818.db2.gz JTZBZLAPBKFXAD-AZGAKELHSA-N -1 0 479.536 5.472 50 0 biogenic JKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc(Br)c1 ZINC000002166051 554075788 /nfs/dbraw/zinc/07/57/88/554075788.db2.gz QLQBVGAYDPZCST-UHFFFAOYSA-N -1 0 457.922 6.013 50 0 JKAARM CC(C)c1cccc(C(C)C)c1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000002166049 554075811 /nfs/dbraw/zinc/07/58/11/554075811.db2.gz BUQXQJGJQWLWRL-UHFFFAOYSA-N -1 0 463.188 7.498 50 0 JKAARM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1)c1ccccc1 ZINC000002184641 554082024 /nfs/dbraw/zinc/08/20/24/554082024.db2.gz ACHTWIVPFRIFJT-FXBPSFAMSA-N -1 0 496.394 5.427 50 0 JKAARM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3ccccc3c1)c1ccccc21 ZINC000002184799 554082093 /nfs/dbraw/zinc/08/20/93/554082093.db2.gz KDGZTRRNUXFUOJ-UHFFFAOYSA-N -1 0 489.549 5.652 50 0 JKAARM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)c1ccccc21 ZINC000002184850 554082390 /nfs/dbraw/zinc/08/23/90/554082390.db2.gz DSCPPOSELWUILF-UHFFFAOYSA-N -1 0 457.573 6.104 50 0 JKAARM Cc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)ccc1Br ZINC000002199241 554090465 /nfs/dbraw/zinc/09/04/65/554090465.db2.gz KPEHBZDCMQGMEY-UHFFFAOYSA-N -1 0 475.393 5.307 50 0 JKAARM COc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1OC ZINC000002223454 554102125 /nfs/dbraw/zinc/10/21/25/554102125.db2.gz OYQFBIFFFOEWJZ-UHFFFAOYSA-N -1 0 469.291 5.232 50 0 JKAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000002238472 554108698 /nfs/dbraw/zinc/10/86/98/554108698.db2.gz RCVLPXFZJUWIRD-OAQYLSRUSA-N -1 0 457.537 6.052 50 0 JKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002244825 554110852 /nfs/dbraw/zinc/11/08/52/554110852.db2.gz RQKGUIPULZKJIU-UHFFFAOYSA-N -1 0 476.587 5.302 50 0 JKAARM Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(C(=O)[O-])cc2)sc2c3CCCC2)cc1 ZINC000002260284 554121454 /nfs/dbraw/zinc/12/14/54/554121454.db2.gz SORDHIFOGLRGQH-UHFFFAOYSA-N -1 0 462.596 5.625 50 0 JKAARM CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(C(=O)[O-])cc2)CCCC4)cc1 ZINC000002262691 554122580 /nfs/dbraw/zinc/12/25/80/554122580.db2.gz JEXQAQRYPTUEQY-UHFFFAOYSA-N -1 0 492.622 5.715 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000002266214 554125220 /nfs/dbraw/zinc/12/52/20/554125220.db2.gz YEMXQFKAECMHSH-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2SC(F)(F)F)cc1 ZINC000002298594 554138426 /nfs/dbraw/zinc/13/84/26/554138426.db2.gz UGBWNSRQKVUPKQ-UHFFFAOYSA-N -1 0 490.532 6.095 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Br)cc1 ZINC000002297973 554138443 /nfs/dbraw/zinc/13/84/43/554138443.db2.gz RAOYLSAFGPIMDF-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5cccc6c5n(c4=O)CCC6)cc3)sc2c1 ZINC000002303053 554140485 /nfs/dbraw/zinc/14/04/85/554140485.db2.gz NUSCVLDWXIQPSR-UHFFFAOYSA-N -1 0 467.550 5.491 50 0 JKAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(Cl)cc3)CC4=O)nc(C)c2c1 ZINC000002332789 554152020 /nfs/dbraw/zinc/15/20/20/554152020.db2.gz KRUONPKBXWTYIW-MRXNPFEDSA-N -1 0 459.937 5.437 50 0 JKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002336004 554153851 /nfs/dbraw/zinc/15/38/51/554153851.db2.gz XCEDRQGWDGBTPD-UHFFFAOYSA-N -1 0 487.412 6.604 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002367115 554168190 /nfs/dbraw/zinc/16/81/90/554168190.db2.gz PAIPIJSFPDYLHM-UHFFFAOYSA-N -1 0 487.368 5.684 50 0 JKAARM Cc1cc(Br)ccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000002367256 554168265 /nfs/dbraw/zinc/16/82/65/554168265.db2.gz MJLXNSNGLSCESR-UHFFFAOYSA-N -1 0 475.393 5.307 50 0 JKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002375501 554173086 /nfs/dbraw/zinc/17/30/86/554173086.db2.gz CXQCZFPVVJUDCY-UHFFFAOYSA-N -1 0 452.967 5.951 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Br)c2)cc1 ZINC000002382799 554176124 /nfs/dbraw/zinc/17/61/24/554176124.db2.gz QDPAPBRGYUSTTK-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM O=C([O-])C[C@@H](Cc1cccc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385839 554177514 /nfs/dbraw/zinc/17/75/14/554177514.db2.gz QKDVUQGMQTZWKV-OAQYLSRUSA-N -1 0 451.522 5.764 50 0 JKAARM COc1ccc(CSC(C)(C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002386116 554177568 /nfs/dbraw/zinc/17/75/68/554177568.db2.gz VLSRXSQDFSBEAO-RUZDIDTESA-N -1 0 491.609 5.699 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Br ZINC000002389067 554178775 /nfs/dbraw/zinc/17/87/75/554178775.db2.gz DXTFQBWZFOPYGV-JOCHJYFZSA-N -1 0 466.331 5.504 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002399040 554184707 /nfs/dbraw/zinc/18/47/07/554184707.db2.gz DABVQGYAXKHFBL-UHFFFAOYSA-N -1 0 482.565 5.753 50 0 JKAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002411788 554192342 /nfs/dbraw/zinc/19/23/42/554192342.db2.gz LBFPRQYCIYODGO-UHFFFAOYSA-N -1 0 454.939 5.226 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000002414611 554194246 /nfs/dbraw/zinc/19/42/46/554194246.db2.gz SHLLYVAKTUUENM-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002429538 554203846 /nfs/dbraw/zinc/20/38/46/554203846.db2.gz ULTKFCKIMAHWAD-UHFFFAOYSA-N -1 0 452.923 5.030 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000002433525 554206218 /nfs/dbraw/zinc/20/62/18/554206218.db2.gz FGXWBXUSRIYAAP-UHFFFAOYSA-N -1 0 482.978 5.141 50 0 JKAARM CC(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002434777 554207106 /nfs/dbraw/zinc/20/71/06/554207106.db2.gz DJKBIBSCBXZBHQ-UHFFFAOYSA-N -1 0 452.967 5.951 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002435840 554207477 /nfs/dbraw/zinc/20/74/77/554207477.db2.gz NVSAYFNIHOFNHT-UHFFFAOYSA-N -1 0 490.585 5.358 50 0 JKAARM CC(C)(C)OC(=O)Nc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)[O-])c1 ZINC000002526796 554232572 /nfs/dbraw/zinc/23/25/72/554232572.db2.gz KNYZSHDTFJANSS-UHFFFAOYSA-N -1 0 474.513 6.093 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002556733 554235887 /nfs/dbraw/zinc/23/58/87/554235887.db2.gz VSGACONKQRJFGX-MUUNZHRXSA-N -1 0 463.533 5.888 50 0 JKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000002567630 554236273 /nfs/dbraw/zinc/23/62/73/554236273.db2.gz PENQOTJCVODUQU-MUUNZHRXSA-N -1 0 463.533 5.810 50 0 JKAARM O=C([O-])[C@@H](Cc1cccc(C(F)(F)F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567692 554236309 /nfs/dbraw/zinc/23/63/09/554236309.db2.gz AJMRBDCOLBEYRZ-JOCHJYFZSA-N -1 0 455.432 5.240 50 0 JKAARM O=C([O-])C[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575637 554237005 /nfs/dbraw/zinc/23/70/05/554237005.db2.gz NVROSHMPZXMHHP-INIZCTEOSA-N -1 0 470.352 5.918 50 0 JKAARM COc1ccc2[nH]c3c(c2c1)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]3C(=O)[O-] ZINC000002583134 554237610 /nfs/dbraw/zinc/23/76/10/554237610.db2.gz JUENHMAHPHBWKQ-SANMLTNESA-N -1 0 468.509 5.109 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(F)ccc3C)ccc2C)cc1Cl ZINC000002623610 554247715 /nfs/dbraw/zinc/24/77/15/554247715.db2.gz PWSKHILWFFBNHC-UHFFFAOYSA-N -1 0 492.956 5.166 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(C)nc(S[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c12 ZINC000002626516 554249807 /nfs/dbraw/zinc/24/98/07/554249807.db2.gz HWSCZIUCMJSPAU-QMMMGPOBSA-N -1 0 489.928 5.798 50 0 JKAARM O=C(CSc1nnc(SCc2cccc3ccccc32)s1)Nc1ccc(C(=O)[O-])cc1 ZINC000002636061 554256767 /nfs/dbraw/zinc/25/67/67/554256767.db2.gz AEHUMBSCKWDQFX-UHFFFAOYSA-N -1 0 467.597 5.413 50 0 JKAARM CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)cc2)cc1 ZINC000002649109 554265618 /nfs/dbraw/zinc/26/56/18/554265618.db2.gz VZJAYRIQHMGIAC-LJQANCHMSA-N -1 0 451.485 5.336 50 0 JKAARM CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)cc2)cc1 ZINC000002649110 554265761 /nfs/dbraw/zinc/26/57/61/554265761.db2.gz VZJAYRIQHMGIAC-IBGZPJMESA-N -1 0 451.485 5.336 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(C)nc(S[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000002655196 554271093 /nfs/dbraw/zinc/27/10/93/554271093.db2.gz HVSBWETXVCJPLJ-SECBINFHSA-N -1 0 455.483 5.144 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(C)nc(S[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c12 ZINC000002655195 554271186 /nfs/dbraw/zinc/27/11/86/554271186.db2.gz HVSBWETXVCJPLJ-VIFPVBQESA-N -1 0 455.483 5.144 50 0 JKAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)c4cc(C(C)(C)C)ccc4C)c23)cc1 ZINC000002660071 554274081 /nfs/dbraw/zinc/27/40/81/554274081.db2.gz LFTDGSXKGBHLHL-UHFFFAOYSA-N -1 0 451.617 6.073 50 0 JKAARM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 ZINC000002663425 554276486 /nfs/dbraw/zinc/27/64/86/554276486.db2.gz KFSGUENDGZLOLQ-UHFFFAOYSA-N -1 0 467.594 6.446 50 0 JKAARM Cc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C(=O)[O-])c4)n2)Cc2cccc(C)c2O3)cc1 ZINC000002693920 554291091 /nfs/dbraw/zinc/29/10/91/554291091.db2.gz YCDBRHFPFQVQKP-UHFFFAOYSA-N -1 0 497.576 5.886 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)no1 ZINC000002753882 554327441 /nfs/dbraw/zinc/32/74/41/554327441.db2.gz ZKUXVPJVFAAQAF-UHFFFAOYSA-N -1 0 484.537 5.251 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000002759190 554330960 /nfs/dbraw/zinc/33/09/60/554330960.db2.gz ZXQJHUDEFZFWLW-WOJBJXKFSA-N -1 0 469.603 5.704 50 0 JKAARM Cc1ccc2c(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)sc2c1 ZINC000002773476 554338200 /nfs/dbraw/zinc/33/82/00/554338200.db2.gz YMYUOOYNIZEOBM-UHFFFAOYSA-N -1 0 463.993 5.373 50 0 JKAARM Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000002779177 554341056 /nfs/dbraw/zinc/34/10/56/554341056.db2.gz QYFDAXASXZSVLT-UHFFFAOYSA-N -1 0 481.446 5.198 50 0 JKAARM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Cl)cc1 ZINC000002810310 554359901 /nfs/dbraw/zinc/35/99/01/554359901.db2.gz HVFZIMWQWSRPBO-UHFFFAOYSA-N -1 0 450.922 5.840 50 0 JKAARM C[C@@H](Cn1cc(Br)cn1)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002809671 554359933 /nfs/dbraw/zinc/35/99/33/554359933.db2.gz JIGCTTWTYXQSEZ-NSHDSACASA-N -1 0 496.797 5.082 50 0 JKAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cccs1 ZINC000002853752 554381618 /nfs/dbraw/zinc/38/16/18/554381618.db2.gz QSXAJKABTGPQEM-UHFFFAOYSA-N -1 0 496.941 5.022 50 0 JKAARM Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000002869403 554394813 /nfs/dbraw/zinc/39/48/13/554394813.db2.gz PZACQECJSNCWJE-UHFFFAOYSA-N -1 0 475.035 5.280 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)cc1C ZINC000002879718 554401142 /nfs/dbraw/zinc/40/11/42/554401142.db2.gz JSGYAULYXINPIQ-UHFFFAOYSA-N -1 0 475.035 5.280 50 0 JKAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000002970225 554414085 /nfs/dbraw/zinc/41/40/85/554414085.db2.gz VTWVMZIWGQRNFU-UHFFFAOYSA-N -1 0 459.571 6.050 50 0 JKAARM Cc1cc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])ccc1Br ZINC000003085967 554425848 /nfs/dbraw/zinc/42/58/48/554425848.db2.gz UBIFNZDCNXMBPN-UHFFFAOYSA-N -1 0 471.949 6.322 50 0 JKAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc4c(oc5c4C(=O)CCC5)c4ccccc34)c3cccc1c23 ZINC000003200846 554430336 /nfs/dbraw/zinc/43/03/36/554430336.db2.gz WRQYCNYDGTUCPU-UHFFFAOYSA-N -1 0 482.517 5.625 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003215544 554431605 /nfs/dbraw/zinc/43/16/05/554431605.db2.gz OPYPRBUGCQEPIL-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000003215720 554431650 /nfs/dbraw/zinc/43/16/50/554431650.db2.gz QXNNOPCPNBZFNJ-UHFFFAOYSA-N -1 0 466.578 5.030 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)c3ccc(Cl)s3)nc2c1 ZINC000003220945 554432483 /nfs/dbraw/zinc/43/24/83/554432483.db2.gz RMXNAFPDWBCTIW-UHFFFAOYSA-N -1 0 495.003 5.327 50 0 JKAARM Cc1cccc(Nc2nc3cc(C)c(C)cc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000003283487 554442670 /nfs/dbraw/zinc/44/26/70/554442670.db2.gz MOBODIFFTYLIOA-UHFFFAOYSA-N -1 0 486.519 6.118 50 0 JKAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003329043 554452448 /nfs/dbraw/zinc/45/24/48/554452448.db2.gz ULYNFQWCTKFYST-UHFFFAOYSA-N -1 0 477.810 5.204 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 ZINC000003328463 554452508 /nfs/dbraw/zinc/45/25/08/554452508.db2.gz VDIFDTATBOOJKN-UHFFFAOYSA-N -1 0 485.805 6.196 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccccc1 ZINC000003328352 554452533 /nfs/dbraw/zinc/45/25/33/554452533.db2.gz LXXDAAFYHJDSRD-UHFFFAOYSA-N -1 0 499.390 5.335 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)nc(C)n1 ZINC000003359437 554458220 /nfs/dbraw/zinc/45/82/20/554458220.db2.gz NVEBRYLRUSSLHT-UHFFFAOYSA-N -1 0 486.597 5.055 50 0 JKAARM Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)c1 ZINC000003630310 554467729 /nfs/dbraw/zinc/46/77/29/554467729.db2.gz MGHJYRNOMRQQPW-UHFFFAOYSA-N -1 0 494.414 5.365 50 0 JKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2[n-]c1=S ZINC000003631184 554468106 /nfs/dbraw/zinc/46/81/06/554468106.db2.gz JAQYVAMGKUFWCC-UHFFFAOYSA-N -1 0 469.916 5.800 50 0 JKAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006144285 554509960 /nfs/dbraw/zinc/50/99/60/554509960.db2.gz JILFUSIOPCHQCD-GFCCVEGCSA-N -1 0 499.397 5.040 50 0 JKAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000006146281 554510408 /nfs/dbraw/zinc/51/04/08/554510408.db2.gz ATXMTRMKCKTREO-UHFFFAOYSA-N -1 0 467.572 5.057 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000006146753 554510659 /nfs/dbraw/zinc/51/06/59/554510659.db2.gz DLFOKDWZMHYSHH-UHFFFAOYSA-N -1 0 475.595 5.270 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)cc2)c1C ZINC000006146578 554510680 /nfs/dbraw/zinc/51/06/80/554510680.db2.gz KUJLJVYKICLWBU-UHFFFAOYSA-N -1 0 487.419 5.736 50 0 JKAARM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147197 554510771 /nfs/dbraw/zinc/51/07/71/554510771.db2.gz KBTNHVVPICARJT-UHFFFAOYSA-N -1 0 476.529 5.458 50 0 JKAARM C[C@H](c1ccco1)N(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000006146507 554510791 /nfs/dbraw/zinc/51/07/91/554510791.db2.gz WURMTYWJGXZFCH-QGZVFWFLSA-N -1 0 481.961 5.537 50 0 JKAARM O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000006270543 554523966 /nfs/dbraw/zinc/52/39/66/554523966.db2.gz AGFSYEDPPLKKOG-UHFFFAOYSA-N -1 0 472.353 5.595 50 0 JKAARM Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000008022594 554563845 /nfs/dbraw/zinc/56/38/45/554563845.db2.gz HWVNEWGKWRGSRK-UHFFFAOYSA-N -1 0 471.497 6.341 50 0 in-vitro JKAARM COc1ccc(CN2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])SC2=Nc2ccccc2)cc1 ZINC000008383872 554567125 /nfs/dbraw/zinc/56/71/25/554567125.db2.gz YVXLGFUXYYGPPA-YRXXGERJSA-N -1 0 491.525 5.122 50 0 JKAARM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000008453564 554599249 /nfs/dbraw/zinc/59/92/49/554599249.db2.gz PWOZTBKJWASBOC-KSVGNYRWSA-N -1 0 485.609 6.339 50 0 JKAARM Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000008453562 554599264 /nfs/dbraw/zinc/59/92/64/554599264.db2.gz BQHPHBMLHPNFBZ-KSVGNYRWSA-N -1 0 485.609 6.339 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000008455878 554600148 /nfs/dbraw/zinc/60/01/48/554600148.db2.gz NVZPDAJZNMZKRY-RTBURBONSA-N -1 0 471.619 6.027 50 0 JKAARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1 ZINC000008455884 554600163 /nfs/dbraw/zinc/60/01/63/554600163.db2.gz TWPDCEJRGGNGBO-PMACEKPBSA-N -1 0 471.619 5.928 50 0 JKAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3c4ccccc4sc3C(=O)OC)ccc21 ZINC000008757152 554659499 /nfs/dbraw/zinc/65/94/99/554659499.db2.gz KDWMMBAJSLESPL-UHFFFAOYSA-N -1 0 464.568 5.617 50 0 JKAARM Cc1cc(C2=C([O-])C(c3cc(C)c4cc(C(C)C)ccc(C)c3-4)C2=O)c2c(C)ccc(C(C)C)cc1-2 ZINC000008765403 554666103 /nfs/dbraw/zinc/66/61/03/554666103.db2.gz VSINGSYSUVJCDD-UHFFFAOYSA-N -1 0 476.660 9.629 50 0 biogenic JKAARM Cc1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000008819030 554703493 /nfs/dbraw/zinc/70/34/93/554703493.db2.gz VOMKLJVDOOJIMZ-UHFFFAOYSA-N -1 0 476.248 6.950 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000008830936 554720494 /nfs/dbraw/zinc/72/04/94/554720494.db2.gz NAKPLEROAANXGU-UHFFFAOYSA-N -1 0 486.911 6.623 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000008836414 554736401 /nfs/dbraw/zinc/73/64/01/554736401.db2.gz JHVWIVFYNJSIJD-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM CCCc1oc2c(cc([N-]S(=O)(=O)c3cccc4cccnc43)c3ccccc23)c1C(=O)OCC ZINC000008859988 554756593 /nfs/dbraw/zinc/75/65/93/554756593.db2.gz DOSSTCWTHCLPRR-UHFFFAOYSA-N -1 0 488.565 6.064 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1Cl)c1cccc(Cl)c1 ZINC000008870965 554765873 /nfs/dbraw/zinc/76/58/73/554765873.db2.gz JOIWEDNMLNZUEQ-UHFFFAOYSA-N -1 0 459.358 5.350 50 0 JKAARM CCc1cc2c(cc1[O-])oc([C@H]1CCCN1C(=O)OC(C)(C)C)c(-c1nc(C)cs1)c2=O ZINC000008917817 554813299 /nfs/dbraw/zinc/81/32/99/554813299.db2.gz STBOXUUMMMSPAK-MRXNPFEDSA-N -1 0 456.564 5.565 50 0 biogenic JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000008952042 554835397 /nfs/dbraw/zinc/83/53/97/554835397.db2.gz NCACSLQRMYZYDP-VWLOTQADSA-N -1 0 490.506 5.364 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(s2)c(C)ccc3C)cc1 ZINC000008956104 554837014 /nfs/dbraw/zinc/83/70/14/554837014.db2.gz NJZHZXSPPUUDTR-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSc1nc2ccccc2s1 ZINC000008969216 554843229 /nfs/dbraw/zinc/84/32/29/554843229.db2.gz YNHYCOHULKCFEE-UHFFFAOYSA-N -1 0 463.544 5.440 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009075998 554887203 /nfs/dbraw/zinc/88/72/03/554887203.db2.gz RXXCHODPTODWQX-WAKHXKBOSA-N -1 0 490.559 5.377 50 0 JKAARM CCCO[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000009136796 554932893 /nfs/dbraw/zinc/93/28/93/554932893.db2.gz KAQLBFOQIMVWFJ-ZJSXRUAMSA-N -1 0 474.479 5.315 50 0 JKAARM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009210735 554980294 /nfs/dbraw/zinc/98/02/94/554980294.db2.gz DIVYKISDVGEKFS-XHHBKWMTSA-N -1 0 492.556 5.197 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c(C(=O)[O-])c1OC ZINC000009215738 554983422 /nfs/dbraw/zinc/98/34/22/554983422.db2.gz IYFAHPNSDSFLCK-FIPFOOKPSA-N -1 0 480.520 5.798 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000009215778 554983698 /nfs/dbraw/zinc/98/36/98/554983698.db2.gz HPKHBHSSRDMCPQ-YADARESESA-N -1 0 464.905 5.298 50 0 JKAARM Cc1cccc(-n2c(SCc3nc(=O)c4sccc4[n-]3)nnc2-c2ccccc2Cl)c1 ZINC000009217989 554986936 /nfs/dbraw/zinc/98/69/36/554986936.db2.gz GXQKGOSGZNSUMZ-UHFFFAOYSA-N -1 0 465.991 5.486 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009282901 555053095 /nfs/dbraw/zinc/05/30/95/555053095.db2.gz ZIUAMMOEFPUOES-UHFFFAOYSA-N -1 0 467.881 5.072 50 0 JKAARM Cc1cc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)sc2cc1C ZINC000009293322 555068534 /nfs/dbraw/zinc/06/85/34/555068534.db2.gz VJVLMYJOBVEVEX-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM CCOc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CC)cc1 ZINC000009295720 555072138 /nfs/dbraw/zinc/07/21/38/555072138.db2.gz KKTSYKBUXZJRKD-NDMCFCFYSA-N -1 0 496.972 6.321 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009317372 555092458 /nfs/dbraw/zinc/09/24/58/555092458.db2.gz BDTBVTIWELVXGZ-SANMLTNESA-N -1 0 478.552 5.390 50 0 JKAARM COc1ccc(Cl)c2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)nc21 ZINC000009325711 555097321 /nfs/dbraw/zinc/09/73/21/555097321.db2.gz JVOKGRNMMKZFKL-UHFFFAOYSA-N -1 0 491.953 5.151 50 0 JKAARM Cc1cc(OCC(=O)N(Cc2ccccc2)Cc2nc(=O)c3sccc3[n-]2)ccc1C(C)C ZINC000009335814 555103522 /nfs/dbraw/zinc/10/35/22/555103522.db2.gz SGRRKMDOBOCYNT-UHFFFAOYSA-N -1 0 461.587 5.024 50 0 JKAARM Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000009367446 555129623 /nfs/dbraw/zinc/12/96/23/555129623.db2.gz ZJHOYEBJLQUNRA-UHFFFAOYSA-N -1 0 455.586 5.233 50 0 JKAARM CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009404419 555162658 /nfs/dbraw/zinc/16/26/58/555162658.db2.gz LEUZOEPDFOGTRY-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009404418 555162759 /nfs/dbraw/zinc/16/27/59/555162759.db2.gz LEUZOEPDFOGTRY-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(cc4c5c(cccc35)CC4)s2)cc1 ZINC000009404670 555163047 /nfs/dbraw/zinc/16/30/47/555163047.db2.gz CIHQUXBPVARSBW-UHFFFAOYSA-N -1 0 499.617 5.910 50 0 JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009425264 555189830 /nfs/dbraw/zinc/18/98/30/555189830.db2.gz AHOCDCVKCMWULI-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM CCOc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000009427521 555192564 /nfs/dbraw/zinc/19/25/64/555192564.db2.gz LMVBGQWMUPPPGU-QYDYLWNGSA-N -1 0 490.559 5.458 50 0 JKAARM CCOc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000009427523 555192766 /nfs/dbraw/zinc/19/27/66/555192766.db2.gz LMVBGQWMUPPPGU-WAKHXKBOSA-N -1 0 490.559 5.458 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009444253 555217143 /nfs/dbraw/zinc/21/71/43/555217143.db2.gz MVCCPWXEVWQLGR-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM Cc1noc(C)c1CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000009507830 555292833 /nfs/dbraw/zinc/29/28/33/555292833.db2.gz UTMDPROIRYLBKZ-UHFFFAOYSA-N -1 0 493.560 5.387 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC)cc1 ZINC000009511943 555301314 /nfs/dbraw/zinc/30/13/14/555301314.db2.gz RRIJEGNSDWWLDK-UHFFFAOYSA-N -1 0 494.491 5.166 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000009514539 555305226 /nfs/dbraw/zinc/30/52/26/555305226.db2.gz APPMVQCSKUQZGH-UHFFFAOYSA-N -1 0 485.565 5.300 50 0 JKAARM Cc1ccc2cc3c([N-]S(=O)(=O)c4ccc(Br)cc4)nn(CC(C)C)c3nc2c1 ZINC000009546070 555340227 /nfs/dbraw/zinc/34/02/27/555340227.db2.gz WIBYOJUWJNCCHI-UHFFFAOYSA-N -1 0 473.396 5.112 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000009634894 555341023 /nfs/dbraw/zinc/34/10/23/555341023.db2.gz JFWYLVZUQZIKIS-UHFFFAOYSA-N -1 0 477.007 5.021 50 0 JKAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000009636886 555344279 /nfs/dbraw/zinc/34/42/79/555344279.db2.gz GGNMGQHGQAUHCP-HHHXNRCGSA-N -1 0 471.576 5.426 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009554130 555350676 /nfs/dbraw/zinc/35/06/76/555350676.db2.gz APMTXDIKDCZZEJ-UHFFFAOYSA-N -1 0 496.976 5.394 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009554131 555350767 /nfs/dbraw/zinc/35/07/67/555350767.db2.gz HXLYFWBBAJKYQR-UHFFFAOYSA-N -1 0 466.994 6.170 50 0 JKAARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000013298682 555372836 /nfs/dbraw/zinc/37/28/36/555372836.db2.gz RIXNFYQZWDGQAE-LVLMHCORSA-N -1 0 498.748 7.804 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cccc(C)c4C)ccc3s2)cc1 ZINC000013347459 555377589 /nfs/dbraw/zinc/37/75/89/555377589.db2.gz GJOPNIYUYIYVSH-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccccc4C)ccc3s2)cc1 ZINC000013347492 555377603 /nfs/dbraw/zinc/37/76/03/555377603.db2.gz BPVIGQNJUHPFJM-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM CCOc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347500 555377628 /nfs/dbraw/zinc/37/76/28/555377628.db2.gz PTCWCDRSUGWQCS-UHFFFAOYSA-N -1 0 482.587 5.448 50 0 JKAARM CCc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347517 555377687 /nfs/dbraw/zinc/37/76/87/555377687.db2.gz JGDBHBGJQBBAQL-UHFFFAOYSA-N -1 0 466.588 5.612 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccccc4Cl)cc3s2)cc1 ZINC000013348932 555378533 /nfs/dbraw/zinc/37/85/33/555378533.db2.gz JOTAKKHQCSLUDH-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccccc4F)cc3s2)cc1 ZINC000013349049 555379015 /nfs/dbraw/zinc/37/90/15/555379015.db2.gz KTHHFTSOZHFIIB-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1ccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000013349182 555379168 /nfs/dbraw/zinc/37/91/68/555379168.db2.gz YAOJGYNIKJEJEK-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccc(C)c(F)c4)cc3C)s2)cc1 ZINC000013349218 555379217 /nfs/dbraw/zinc/37/92/17/555379217.db2.gz OWONRGAIJONSLZ-UHFFFAOYSA-N -1 0 484.578 5.805 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1C ZINC000013349288 555379249 /nfs/dbraw/zinc/37/92/49/555379249.db2.gz PSSPFDZUSZJVTC-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349389 555379572 /nfs/dbraw/zinc/37/95/72/555379572.db2.gz DKAVHZDMFNHBNR-UHFFFAOYSA-N -1 0 488.978 5.403 50 0 JKAARM Cc1cc(C)cc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000013349376 555379673 /nfs/dbraw/zinc/37/96/73/555379673.db2.gz BRWVBYPXGNKVDF-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM CCc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349401 555379689 /nfs/dbraw/zinc/37/96/89/555379689.db2.gz NRXRAXUEVRFNAI-UHFFFAOYSA-N -1 0 452.561 5.304 50 0 JKAARM Cc1cc(NC(=O)Nc2cccc(Cl)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349484 555379693 /nfs/dbraw/zinc/37/96/93/555379693.db2.gz OSCOGBHGTFNXGT-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM COc1cc(NC(=O)Nc2ccc(C)cc2C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349587 555379822 /nfs/dbraw/zinc/37/98/22/555379822.db2.gz DSHGHAVEKRBQIC-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM COc1cc(NC(=O)Nc2cc(C)cc(C)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349583 555379926 /nfs/dbraw/zinc/37/99/26/555379926.db2.gz PJWNACQWCUBAKP-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009579525 555383364 /nfs/dbraw/zinc/38/33/64/555383364.db2.gz PRQNVTAIQBWGAZ-UHFFFAOYSA-N -1 0 484.883 5.421 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)cc1F ZINC000013361392 555387020 /nfs/dbraw/zinc/38/70/20/555387020.db2.gz PRRFGQFQTCPISN-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)c1C ZINC000013361352 555387022 /nfs/dbraw/zinc/38/70/22/555387022.db2.gz OTYWXLAGGKAJAX-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679098 555403815 /nfs/dbraw/zinc/40/38/15/555403815.db2.gz NXYADJMTIIHYSA-JOCHJYFZSA-N -1 0 474.314 5.287 50 0 JKAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679104 555404172 /nfs/dbraw/zinc/40/41/72/555404172.db2.gz RLZAHBVOLFWUOJ-JOCHJYFZSA-N -1 0 474.314 5.287 50 0 JKAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679105 555404392 /nfs/dbraw/zinc/40/43/92/555404392.db2.gz RLZAHBVOLFWUOJ-QFIPXVFZSA-N -1 0 474.314 5.287 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009679536 555406180 /nfs/dbraw/zinc/40/61/80/555406180.db2.gz SUIHTGIPJBUETA-VWLOTQADSA-N -1 0 469.541 5.894 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679540 555406396 /nfs/dbraw/zinc/40/63/96/555406396.db2.gz PJMBXARQUZMIRR-QFIPXVFZSA-N -1 0 482.323 5.903 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000009698212 555425533 /nfs/dbraw/zinc/42/55/33/555425533.db2.gz GJNAKRDYYRDOLW-UHFFFAOYSA-N -1 0 479.370 5.051 50 0 JKAARM CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)cc1 ZINC000009601657 555426723 /nfs/dbraw/zinc/42/67/23/555426723.db2.gz CKZZGIJZAILPCP-UHFFFAOYSA-N -1 0 465.604 5.324 50 0 JKAARM CCCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])c(OCC)c1)Nc1ccccc1-2 ZINC000009601823 555427080 /nfs/dbraw/zinc/42/70/80/555427080.db2.gz RJAIPWIGPGFJJS-HSZRJFAPSA-N -1 0 496.589 5.186 50 0 JKAARM CC(C)(C)c1cc(CSC(=S)[N-][C@H]2CCS(=O)(=O)C2)c(Br)c(C(C)(C)C)c1 ZINC000013522834 555486411 /nfs/dbraw/zinc/48/64/11/555486411.db2.gz HLJXDOPRSFCRNH-HNNXBMFYSA-N -1 0 492.570 5.339 50 0 JKAARM CC(C)(C)c1cc(CSC(=S)[N-][C@@H]2CCS(=O)(=O)C2)c(Br)c(C(C)(C)C)c1 ZINC000013522829 555486419 /nfs/dbraw/zinc/48/64/19/555486419.db2.gz HLJXDOPRSFCRNH-OAHLLOKOSA-N -1 0 492.570 5.339 50 0 JKAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(/N=c3\ssc4c3-c3ccccc3NC4(C)C)cc2)n1 ZINC000013532387 555488077 /nfs/dbraw/zinc/48/80/77/555488077.db2.gz CWCKBZMUHOZDAA-QLYXXIJNSA-N -1 0 495.655 5.269 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)c(C(=O)[O-])c1OC ZINC000013551516 555492013 /nfs/dbraw/zinc/49/20/13/555492013.db2.gz IYFAHPNSDSFLCK-QDPGVEIFSA-N -1 0 480.520 5.798 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000013551603 555492103 /nfs/dbraw/zinc/49/21/03/555492103.db2.gz HPKHBHSSRDMCPQ-NTKDMRAZSA-N -1 0 464.905 5.298 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000013551806 555492231 /nfs/dbraw/zinc/49/22/31/555492231.db2.gz PJOCDTPEPTZTAT-DVECYGJZSA-N -1 0 464.905 5.298 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)c(C(=O)[O-])c1OC ZINC000013552586 555492760 /nfs/dbraw/zinc/49/27/60/555492760.db2.gz YNUKXPZBHZYHKC-LXFBAYGMSA-N -1 0 480.520 5.798 50 0 JKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013579028 555517628 /nfs/dbraw/zinc/51/76/28/555517628.db2.gz CTMZWEWKGADIES-UHFFFAOYSA-N -1 0 494.503 5.159 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579189 555518291 /nfs/dbraw/zinc/51/82/91/555518291.db2.gz OODPTIKCFCDSDM-ZELAZJAISA-N -1 0 460.555 5.502 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-] ZINC000013579325 555518317 /nfs/dbraw/zinc/51/83/17/555518317.db2.gz SHMJCXZVYZJGRN-SEVUFMINSA-N -1 0 453.347 5.082 50 0 JKAARM COc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)c2)cc1 ZINC000019862878 555520794 /nfs/dbraw/zinc/52/07/94/555520794.db2.gz RPRQQTUDDXGZTH-UHFFFAOYSA-N -1 0 498.510 5.430 50 0 JKAARM COc1ccc(C)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009858062 555559331 /nfs/dbraw/zinc/55/93/31/555559331.db2.gz MFPORWCONOYBDY-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM COc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009858045 555559366 /nfs/dbraw/zinc/55/93/66/555559366.db2.gz JXDPPKZMTQCHHG-UHFFFAOYSA-N -1 0 468.966 5.453 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C)c(F)c3)nc2c1 ZINC000009858113 555559647 /nfs/dbraw/zinc/55/96/47/555559647.db2.gz DKWKUFNOOLLTBN-UHFFFAOYSA-N -1 0 472.929 5.284 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3nc2Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000009858094 555559674 /nfs/dbraw/zinc/55/96/74/555559674.db2.gz JWYBUVGLHWXCHX-UHFFFAOYSA-N -1 0 487.629 5.781 50 0 JKAARM CCN(C(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCC1)c1cc(Cl)ccc1OC ZINC000009858196 555559680 /nfs/dbraw/zinc/55/96/80/555559680.db2.gz RRFSWJXOPJNKDX-UHFFFAOYSA-N -1 0 470.978 5.229 50 0 JKAARM O=C(NC([N-]c1ncc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000019944295 555562749 /nfs/dbraw/zinc/56/27/49/555562749.db2.gz RRNLDVKKYUJGGR-UHFFFAOYSA-N -1 0 466.596 5.705 50 0 JKAARM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(=O)o1 ZINC000013739393 555606702 /nfs/dbraw/zinc/60/67/02/555606702.db2.gz GXNNSDSMWWWUDF-FQEVSTJZSA-N -1 0 475.444 5.759 50 0 JKAARM O=C(Nc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1)c1ccco1 ZINC000010060545 555613749 /nfs/dbraw/zinc/61/37/49/555613749.db2.gz PSNPJDVMYWUABA-UHFFFAOYSA-N -1 0 480.112 5.015 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013811166 555627191 /nfs/dbraw/zinc/62/71/91/555627191.db2.gz XFWGDLZHPZWKHE-DSNGMDLFSA-N -1 0 456.448 5.169 50 0 JKAARM CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000013881346 555639950 /nfs/dbraw/zinc/63/99/50/555639950.db2.gz BVACTJGUOIHHLY-WOJGMQOQSA-N -1 0 461.923 5.072 50 0 JKAARM Cc1ccnc(O[C@@H](C(=O)[O-])C(OCCC2CCCCC2)(c2ccccc2)c2ccccc2)n1 ZINC000013896125 555643361 /nfs/dbraw/zinc/64/33/61/555643361.db2.gz QFCDFXCVXQZXHB-VWLOTQADSA-N -1 0 460.574 5.548 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013896238 555643406 /nfs/dbraw/zinc/64/34/06/555643406.db2.gz GULRMEJABIDYNL-NAKRPHOHSA-N -1 0 488.584 5.942 50 0 JKAARM Cc1ccnc(O[C@@H](C(=O)[O-])C(OCCC2CCCCC2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000013899592 555645820 /nfs/dbraw/zinc/64/58/20/555645820.db2.gz WDJRFZYMUBXAOQ-VWLOTQADSA-N -1 0 496.554 5.826 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCC(C)C)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000013939893 555649992 /nfs/dbraw/zinc/64/99/92/555649992.db2.gz RMCRJJOKLWKBFG-HSZRJFAPSA-N -1 0 470.516 5.210 50 0 JKAARM O=C([O-])Cc1sc(-c2cc3cc(Cl)ccc3oc2=O)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000013940867 555652169 /nfs/dbraw/zinc/65/21/69/555652169.db2.gz IARDQTMSJPMSSH-UHFFFAOYSA-N -1 0 487.964 6.455 50 0 JKAARM COc1ccc(Cl)cc1C(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2OC)cc(C(=O)[O-])c1 ZINC000013941659 555652463 /nfs/dbraw/zinc/65/24/63/555652463.db2.gz HTCVEFWWHHZPRQ-UHFFFAOYSA-N -1 0 489.311 5.213 50 0 JKAARM CCCOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000013942762 555654170 /nfs/dbraw/zinc/65/41/70/555654170.db2.gz QGEYEBYRHNJYMR-OAQYLSRUSA-N -1 0 475.372 5.603 50 0 JKAARM CCCOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000013942760 555654207 /nfs/dbraw/zinc/65/42/07/555654207.db2.gz QGEYEBYRHNJYMR-NRFANRHFSA-N -1 0 475.372 5.603 50 0 JKAARM CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000014018975 555672065 /nfs/dbraw/zinc/67/20/65/555672065.db2.gz PVVKOTSJKLDFTF-UHFFFAOYSA-N -1 0 483.597 5.233 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000014089751 555684703 /nfs/dbraw/zinc/68/47/03/555684703.db2.gz YJBVHJIKNLBFDX-MQURJEHKSA-N -1 0 498.748 7.660 50 0 biogenic,in-vitro JKAARM CCc1c(C)sc2[n-]c(=S)n(Cc3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c12 ZINC000020191569 555692732 /nfs/dbraw/zinc/69/27/32/555692732.db2.gz WWKJVWYMJSQMPH-UHFFFAOYSA-N -1 0 458.612 5.892 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000020343103 555777949 /nfs/dbraw/zinc/77/79/49/555777949.db2.gz NUGSIXXCKQIJHO-OVCLIPMQSA-N -1 0 453.564 5.042 50 0 JKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(Br)cc21 ZINC000011692878 555801937 /nfs/dbraw/zinc/80/19/37/555801937.db2.gz WIQDTPBLPHVGCZ-VOTSOKGWSA-N -1 0 499.158 6.888 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000020549792 555807042 /nfs/dbraw/zinc/80/70/42/555807042.db2.gz OXQHVLUDSDMXSL-FCHUYYIVSA-N -1 0 497.657 6.858 50 0 JKAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](Cc3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000011852672 555835650 /nfs/dbraw/zinc/83/56/50/555835650.db2.gz FFKBTXBIRJROGS-OAQYLSRUSA-N -1 0 463.965 5.308 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000011852699 555835687 /nfs/dbraw/zinc/83/56/87/555835687.db2.gz UCLQPKSPVFQXNS-MHZLTWQESA-N -1 0 492.579 5.699 50 0 JKAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c2oc1=O ZINC000011865622 555840438 /nfs/dbraw/zinc/84/04/38/555840438.db2.gz UGEYFXNCYJMMDU-QNGMFEMESA-N -1 0 485.621 5.307 50 0 biogenic JKAARM CCN(CCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)c1cccc(C)c1 ZINC000020644742 555846451 /nfs/dbraw/zinc/84/64/51/555846451.db2.gz RVPKZXGFCOLVTP-UHFFFAOYSA-N -1 0 492.689 5.207 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000011915824 555867159 /nfs/dbraw/zinc/86/71/59/555867159.db2.gz UYLFUBOUMYPYFR-UHFFFAOYSA-N -1 0 457.873 6.246 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccc(Cl)cc3)no2)cc1 ZINC000011916205 555867252 /nfs/dbraw/zinc/86/72/52/555867252.db2.gz BMNKRORXHKUERH-UHFFFAOYSA-N -1 0 487.899 6.254 50 0 JKAARM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000015081853 555872903 /nfs/dbraw/zinc/87/29/03/555872903.db2.gz RCZXJCNAYXAMIT-CQSZACIVSA-N -1 0 476.323 5.498 50 0 JKAARM COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000015082143 555873270 /nfs/dbraw/zinc/87/32/70/555873270.db2.gz XIZHJSNDKYKGCX-CQSZACIVSA-N -1 0 458.333 5.359 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000015082341 555873279 /nfs/dbraw/zinc/87/32/79/555873279.db2.gz QUMFBRXPBOIEDB-LJQANCHMSA-N -1 0 451.519 6.048 50 0 JKAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)c1 ZINC000022100980 555873923 /nfs/dbraw/zinc/87/39/23/555873923.db2.gz DJSIPFPVJUXPQC-UHFFFAOYSA-N -1 0 498.630 5.109 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1C ZINC000015094236 555876335 /nfs/dbraw/zinc/87/63/35/555876335.db2.gz CVTDKGJXSQTTEL-QGZVFWFLSA-N -1 0 495.626 5.247 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1C ZINC000015094235 555876356 /nfs/dbraw/zinc/87/63/56/555876356.db2.gz CVTDKGJXSQTTEL-KRWDZBQOSA-N -1 0 495.626 5.247 50 0 JKAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000012112468 555908657 /nfs/dbraw/zinc/90/86/57/555908657.db2.gz KFXDQNGEXDSDIO-UHFFFAOYSA-N -1 0 481.643 5.008 50 0 JKAARM CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112478 555908861 /nfs/dbraw/zinc/90/88/61/555908861.db2.gz UNUWWEJRNHLQPM-UHFFFAOYSA-N -1 0 493.610 5.039 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3cccc(C)c3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112521 555909082 /nfs/dbraw/zinc/90/90/82/555909082.db2.gz KWCUNXXFJMXPTF-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(Br)cc1 ZINC000015671528 555928592 /nfs/dbraw/zinc/92/85/92/555928592.db2.gz ONMRLGOFTLIUOV-UHFFFAOYSA-N -1 0 463.401 5.255 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015671498 555928782 /nfs/dbraw/zinc/92/87/82/555928782.db2.gz XTYOVGBFVPIURN-UHFFFAOYSA-N -1 0 472.492 5.513 50 0 JKAARM CN(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)OC(C)(C)C ZINC000015722235 555956901 /nfs/dbraw/zinc/95/69/01/555956901.db2.gz JHMSFOFHTAYQLS-QHCPKHFHSA-N -1 0 482.577 5.016 50 0 JKAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022852404 555959444 /nfs/dbraw/zinc/95/94/44/555959444.db2.gz JVDHBNKYHWTVHP-QFIPXVFZSA-N -1 0 489.576 5.116 50 0 JKAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854763 555961517 /nfs/dbraw/zinc/96/15/17/555961517.db2.gz QWKPLXARSLEZNJ-HXUWFJFHSA-N -1 0 488.444 5.277 50 0 JKAARM CC[C@@H](C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1)c1ccccc1 ZINC000015729299 555969656 /nfs/dbraw/zinc/96/96/56/555969656.db2.gz GFWVKLVJIBUDGX-HXUWFJFHSA-N -1 0 465.600 5.538 50 0 JKAARM Cc1ccc([P@](=Nc2ccccc2C(=O)[O-])(N2CCN(c3ccccc3F)CC2)C(C)(C)C)o1 ZINC000012524348 555993468 /nfs/dbraw/zinc/99/34/68/555993468.db2.gz NYKWEMQTAYRBBF-UMSFTDKQSA-N -1 0 483.524 6.119 50 0 JKAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(C2CCCCC2)cc1 ZINC000012532472 556002865 /nfs/dbraw/zinc/00/28/65/556002865.db2.gz VTJJRBMXVKWARI-UHFFFAOYSA-N -1 0 450.486 5.135 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)ccc2Cl)cc1 ZINC000012534956 556007314 /nfs/dbraw/zinc/00/73/14/556007314.db2.gz MOSAOPGCFWKBLM-UHFFFAOYSA-N -1 0 496.976 5.182 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(CC)cc4)[n-]c(=O)c3sc2=S)cc1 ZINC000023118958 556012553 /nfs/dbraw/zinc/01/25/53/556012553.db2.gz PQRNNHHFRCPWND-UHFFFAOYSA-N -1 0 498.655 5.197 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)Nc1ccc(C)cc1 ZINC000015858759 556025940 /nfs/dbraw/zinc/02/59/40/556025940.db2.gz ZCPISFYSBXPPPJ-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM CCOc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccccc4Cl)c3=O)nc2C)cc1 ZINC000015858758 556025953 /nfs/dbraw/zinc/02/59/53/556025953.db2.gz PRWXACHSYJZANT-UHFFFAOYSA-N -1 0 482.993 5.546 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015858779 556025992 /nfs/dbraw/zinc/02/59/92/556025992.db2.gz HMAKSOZXZCSUQZ-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM CC(=O)c1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)cc1 ZINC000015858753 556026040 /nfs/dbraw/zinc/02/60/40/556026040.db2.gz YDVGQQJQZUDDCQ-UHFFFAOYSA-N -1 0 480.977 5.350 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C)c1C ZINC000015858792 556026320 /nfs/dbraw/zinc/02/63/20/556026320.db2.gz VHJRMXIWCLGUIM-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cccc(Cl)c4)cc3C)s2)cc1 ZINC000015862015 556034517 /nfs/dbraw/zinc/03/45/17/556034517.db2.gz HLTIEQCTHAJIRD-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cccc(F)c4)cc3C)s2)cc1 ZINC000015862062 556034711 /nfs/dbraw/zinc/03/47/11/556034711.db2.gz GYFDXYMTQKPHOU-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CSc4ccccc4)cc3C)s2)cc1 ZINC000015862050 556034770 /nfs/dbraw/zinc/03/47/70/556034770.db2.gz HMTDSSCNAYXMIT-UHFFFAOYSA-N -1 0 483.640 5.445 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccc(F)c(Cl)c4)cc3C)s2)cc1 ZINC000015862065 556034834 /nfs/dbraw/zinc/03/48/34/556034834.db2.gz SWFWNUWJVXCTRO-UHFFFAOYSA-N -1 0 489.981 5.759 50 0 JKAARM CC[C@@H](C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000015862085 556035194 /nfs/dbraw/zinc/03/51/94/556035194.db2.gz YBHMOOLIEPTLCD-LJQANCHMSA-N -1 0 451.573 5.229 50 0 JKAARM CCOc1ccccc1C(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000015862133 556035233 /nfs/dbraw/zinc/03/52/33/556035233.db2.gz ZOWBSGLHCBETHZ-UHFFFAOYSA-N -1 0 467.572 5.057 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000012556948 556043799 /nfs/dbraw/zinc/04/37/99/556043799.db2.gz XKEMHYRFJPJCKJ-UHFFFAOYSA-N -1 0 472.929 5.284 50 0 JKAARM CCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000015870600 556050584 /nfs/dbraw/zinc/05/05/84/556050584.db2.gz ZDQJOFIUIAFUGY-UHFFFAOYSA-N -1 0 469.994 5.304 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3Cl)CCC[C@@H]2[C@H]1c1ccccc1Cl ZINC000012564358 556060000 /nfs/dbraw/zinc/06/00/00/556060000.db2.gz ALXMPPFYNAVIHA-OCIKORQNSA-N -1 0 457.357 5.981 50 0 JKAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000015911196 556065087 /nfs/dbraw/zinc/06/50/87/556065087.db2.gz DPPCAEZUNITNNJ-UHFFFAOYSA-N -1 0 474.630 6.397 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1C ZINC000015911185 556065113 /nfs/dbraw/zinc/06/51/13/556065113.db2.gz KFPVMSWTGHFQBW-UHFFFAOYSA-N -1 0 456.930 5.584 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000015911156 556065122 /nfs/dbraw/zinc/06/51/22/556065122.db2.gz MDKQYXPVCOXLCZ-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000015911134 556065216 /nfs/dbraw/zinc/06/52/16/556065216.db2.gz LHGGSSPULAQEKJ-UHFFFAOYSA-N -1 0 460.603 6.089 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)sc1C(=O)[O-] ZINC000012576293 556075901 /nfs/dbraw/zinc/07/59/01/556075901.db2.gz CPHYKHVTMGKAGT-FAMVBUEOSA-N -1 0 465.525 6.229 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1cc2c(s1)CCC2 ZINC000012583298 556080918 /nfs/dbraw/zinc/08/09/18/556080918.db2.gz SWKBFVDQDNPMQX-UHFFFAOYSA-N -1 0 467.399 5.597 50 0 JKAARM COc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000015945135 556081165 /nfs/dbraw/zinc/08/11/65/556081165.db2.gz HEMUMUJZANBKOE-KGENOOAVSA-N -1 0 461.495 5.213 50 0 JKAARM CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000015945419 556081514 /nfs/dbraw/zinc/08/15/14/556081514.db2.gz NQZWQEZWWZMJIX-PWJLMRLQSA-N -1 0 486.229 5.923 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000012616306 556091317 /nfs/dbraw/zinc/09/13/17/556091317.db2.gz FZRVKCATJZPDPP-UHFFFAOYSA-N -1 0 492.519 5.095 50 0 JKAARM CCOc1ccc([C@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2c2ccccc2)cc1OC ZINC000015962259 556093122 /nfs/dbraw/zinc/09/31/22/556093122.db2.gz PWWHXXXIFLVSOE-OAQYLSRUSA-N -1 0 456.498 5.262 50 0 JKAARM CCOc1ccc([C@@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2c2ccccc2)cc1OC ZINC000015962257 556093185 /nfs/dbraw/zinc/09/31/85/556093185.db2.gz PWWHXXXIFLVSOE-NRFANRHFSA-N -1 0 456.498 5.262 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Nc3ncnc4sc5c(c43)CCC5)ccc2OC)cc1 ZINC000012643664 556096755 /nfs/dbraw/zinc/09/67/55/556096755.db2.gz LHUMGMPCAQGIAV-UHFFFAOYSA-N -1 0 496.614 5.132 50 0 JKAARM CCCCc1c([O-])nc(SCC(=O)Nc2cccc3ccccc32)n(-c2ccccc2OC)c1=O ZINC000015979760 556098792 /nfs/dbraw/zinc/09/87/92/556098792.db2.gz VVBKWQFTDIHULB-UHFFFAOYSA-N -1 0 489.597 5.173 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N1CCCCC1 ZINC000015980451 556099257 /nfs/dbraw/zinc/09/92/57/556099257.db2.gz GSUFLLTUAMIILB-WYMLVPIESA-N -1 0 497.642 5.200 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000012659298 556100173 /nfs/dbraw/zinc/10/01/73/556100173.db2.gz BCWZCWMWSGDIOB-CXHYTCBHSA-N -1 0 499.692 5.794 50 0 biogenic JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)cc1 ZINC000012661552 556101436 /nfs/dbraw/zinc/10/14/36/556101436.db2.gz YAHGOSRWKWIBRM-WYBWAZTESA-N -1 0 489.656 6.010 50 0 biogenic JKAARM CCCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000024193188 556126301 /nfs/dbraw/zinc/12/63/01/556126301.db2.gz VKBBGJMHCVSPOI-XMMPIXPASA-N -1 0 477.582 5.505 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2cccc(OCCC(C)C)c2)cc1 ZINC000024193214 556126612 /nfs/dbraw/zinc/12/66/12/556126612.db2.gz BIYHDEWEHDOGHK-VWLOTQADSA-N -1 0 491.609 5.751 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000016425452 556138599 /nfs/dbraw/zinc/13/85/99/556138599.db2.gz OYWLPTIUXDDOHQ-LEWJYISDSA-N -1 0 498.023 5.721 50 0 JKAARM Cc1ccccc1CN1C(=O)NC(=Cc2c(=O)n(-c3ccccc3Cl)[n-]c2-c2ccccc2)C1=O ZINC000016534146 556142401 /nfs/dbraw/zinc/14/24/01/556142401.db2.gz PTHPPVWYPATFII-JCMHNJIXSA-N -1 0 484.943 5.300 50 0 JKAARM Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4C)[n-]n(-c4ccccc4C)c3=O)C2=O)cc1 ZINC000016534129 556142434 /nfs/dbraw/zinc/14/24/34/556142434.db2.gz DFBMCFBDGXLIDU-ONUIUJJFSA-N -1 0 492.579 5.187 50 0 JKAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000017042858 556209454 /nfs/dbraw/zinc/20/94/54/556209454.db2.gz BRPBCNCUXSLVOS-UHFFFAOYSA-N -1 0 489.601 5.698 50 0 JKAARM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)n2)cc1 ZINC000017042907 556209703 /nfs/dbraw/zinc/20/97/03/556209703.db2.gz NTNHCPHEARKPOS-UHFFFAOYSA-N -1 0 463.538 5.521 50 0 JKAARM CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)[O-] ZINC000025783998 556235672 /nfs/dbraw/zinc/23/56/72/556235672.db2.gz OYXZPXVCRAAKCM-SANMLTNESA-N -1 0 497.595 5.244 50 0 JKAARM O=C(NCc1cccs1)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1Cl ZINC000013039121 556239158 /nfs/dbraw/zinc/23/91/58/556239158.db2.gz KONFWNWNOYPGNK-UHFFFAOYSA-N -1 0 475.806 5.439 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cc1C ZINC000017206666 556240731 /nfs/dbraw/zinc/24/07/31/556240731.db2.gz SKLXEQVBSYTQBH-UHFFFAOYSA-N -1 0 456.930 5.584 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000017207661 556241116 /nfs/dbraw/zinc/24/11/16/556241116.db2.gz YMWYGDGUDKSCLO-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000017208436 556241558 /nfs/dbraw/zinc/24/15/58/556241558.db2.gz XCAYMWALRLSLHG-UHFFFAOYSA-N -1 0 477.348 5.489 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000017209449 556241765 /nfs/dbraw/zinc/24/17/65/556241765.db2.gz YCANSQHIJMRURU-UHFFFAOYSA-N -1 0 451.360 5.543 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1 ZINC000013040061 556242279 /nfs/dbraw/zinc/24/22/79/556242279.db2.gz PEVAICDTJGKOLU-UHFFFAOYSA-N -1 0 480.430 5.151 50 0 JKAARM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2cccc(C)c2)ccc1NC(C)=O ZINC000013040046 556242316 /nfs/dbraw/zinc/24/23/16/556242316.db2.gz MGMKYTXASLFCRY-UHFFFAOYSA-N -1 0 460.939 5.209 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000017247708 556247145 /nfs/dbraw/zinc/24/71/45/556247145.db2.gz DOXDLNYOAHKDPF-UHFFFAOYSA-N -1 0 462.428 5.332 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017721730 556264584 /nfs/dbraw/zinc/26/45/84/556264584.db2.gz MEHNVWVGHSGVRX-SMIHKQSGSA-N -1 0 460.961 5.689 50 0 JKAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013069797 556266776 /nfs/dbraw/zinc/26/67/76/556266776.db2.gz LDBSHLYGMVQQBG-UKTHLTGXSA-N -1 0 468.509 5.438 50 0 JKAARM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017967218 556273278 /nfs/dbraw/zinc/27/32/78/556273278.db2.gz RHKJBKFWHYYCKC-PFBJBMPXSA-N -1 0 486.568 5.315 50 0 JKAARM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccc(C)cc2)ccc1NC(C)=O ZINC000013073543 556273381 /nfs/dbraw/zinc/27/33/81/556273381.db2.gz GCTUVFBNNGFXOR-UHFFFAOYSA-N -1 0 460.939 5.209 50 0 JKAARM O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000013097520 556294252 /nfs/dbraw/zinc/29/42/52/556294252.db2.gz PGSBAWZBKYXKHT-UHFFFAOYSA-N -1 0 451.885 6.049 50 0 JKAARM CCCCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000018173472 556297951 /nfs/dbraw/zinc/29/79/51/556297951.db2.gz NJTHHGPXTZRHLG-JDLUJFQQSA-N -1 0 495.575 5.281 50 0 JKAARM CCCCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000018173466 556298052 /nfs/dbraw/zinc/29/80/52/556298052.db2.gz NJTHHGPXTZRHLG-MTQLZRQWSA-N -1 0 495.575 5.281 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)cc3)no2)cc1 ZINC000027580040 556299911 /nfs/dbraw/zinc/29/99/11/556299911.db2.gz SPPNUMGSFPSMMQ-UHFFFAOYSA-N -1 0 466.493 6.278 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccccc3)no2)cc1 ZINC000027579965 556299964 /nfs/dbraw/zinc/29/99/64/556299964.db2.gz BXUPOWVYZXEKPL-UHFFFAOYSA-N -1 0 452.466 5.970 50 0 JKAARM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1Cl ZINC000027580432 556300226 /nfs/dbraw/zinc/30/02/26/556300226.db2.gz RVXAAVCKQLHVNE-UHFFFAOYSA-N -1 0 472.884 6.233 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(C(C)C)cc4)o3)cc2)no1 ZINC000028226170 556325745 /nfs/dbraw/zinc/32/57/45/556325745.db2.gz QUTZQZBEKZUMTH-UHFFFAOYSA-N -1 0 495.557 5.332 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 ZINC000028286907 556327639 /nfs/dbraw/zinc/32/76/39/556327639.db2.gz OLNFECHHILEQOW-KRWDZBQOSA-N -1 0 493.519 6.224 50 0 JKAARM Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc(Br)c(C(=O)[O-])c3)cc2)cc1C ZINC000013129786 556354076 /nfs/dbraw/zinc/35/40/76/556354076.db2.gz DGOLLTKQXJTRRE-UHFFFAOYSA-N -1 0 492.416 5.716 50 0 JKAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000030580903 556367443 /nfs/dbraw/zinc/36/74/43/556367443.db2.gz FFGUPLMHHBVKJG-UHFFFAOYSA-N -1 0 495.782 5.164 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000031158045 556393040 /nfs/dbraw/zinc/39/30/40/556393040.db2.gz RWNHLTKFBKYDOJ-KHQNHBDZSA-N -1 0 488.709 5.177 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031163330 556393287 /nfs/dbraw/zinc/39/32/87/556393287.db2.gz XJMYUPJDAFKICJ-YZTGESMESA-N -1 0 488.709 5.175 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031163337 556393306 /nfs/dbraw/zinc/39/33/06/556393306.db2.gz XJMYUPJDAFKICJ-PYGKCNDQSA-N -1 0 488.709 5.175 50 0 biogenic,in-vitro JKAARM COc1ccc([C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)C2CC2)cc1 ZINC000031258270 556395098 /nfs/dbraw/zinc/39/50/98/556395098.db2.gz XULFIYODUWFSDO-RUZDIDTESA-N -1 0 485.609 5.191 50 0 JKAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815782 556407043 /nfs/dbraw/zinc/40/70/43/556407043.db2.gz UKXLPGBVUJZJAI-NRFANRHFSA-N -1 0 498.402 5.247 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032093170 556414732 /nfs/dbraw/zinc/41/47/32/556414732.db2.gz SUTFQUJUVUQIOR-FQEVSTJZSA-N -1 0 497.220 5.181 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032097057 556416003 /nfs/dbraw/zinc/41/60/03/556416003.db2.gz GTSYJIAHQRZTJC-SANMLTNESA-N -1 0 498.608 5.305 50 0 JKAARM CC(C)(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)[n-]c2=O)cc1 ZINC000032724062 556476115 /nfs/dbraw/zinc/47/61/15/556476115.db2.gz WTPQZZIKZPSQLT-UHFFFAOYSA-N -1 0 492.523 5.095 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c(C)c1 ZINC000032948444 556563955 /nfs/dbraw/zinc/56/39/55/556563955.db2.gz AUTCKGBFLGKALT-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000008590097 562942511 /nfs/dbraw/zinc/94/25/11/562942511.db2.gz KGCOGEJGZKJKCE-QHCPKHFHSA-N -1 0 479.964 5.528 50 0 JKAARM COc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000008606741 562946821 /nfs/dbraw/zinc/94/68/21/562946821.db2.gz RHUFWTKSCLMTER-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000008686814 562952981 /nfs/dbraw/zinc/95/29/81/562952981.db2.gz DRIXOSNRVOTWBM-UHFFFAOYSA-N -1 0 483.014 6.045 50 0 aggregator JKAARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1F ZINC000009492071 562956403 /nfs/dbraw/zinc/95/64/03/562956403.db2.gz WYGHZWJYURWOIS-SFQUDFHCSA-N -1 0 492.528 5.477 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000008454532 569591400 /nfs/dbraw/zinc/59/14/00/569591400.db2.gz NHQMXIWAPMZEQR-UHFFFAOYSA-N -1 0 457.592 6.221 50 0 JKAARM N=C1S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000008461749 569591724 /nfs/dbraw/zinc/59/17/24/569591724.db2.gz IABCPWYPLAWQMB-BQJAUFPSSA-N -1 0 459.310 6.007 50 0 JKAARM Cc1c([C@H](c2ccccc2Cl)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000008682545 569593028 /nfs/dbraw/zinc/59/30/28/569593028.db2.gz OBNRNAFOPICWLO-QHCPKHFHSA-N -1 0 472.928 5.130 50 0 JKAARM O=C1N=C(SCc2c(F)c(F)c(F)c(F)c2F)N=C([O-])C1C(c1ccccc1)c1ccccc1 ZINC000008694666 569593360 /nfs/dbraw/zinc/59/33/60/569593360.db2.gz HQZPZDAVSOMQQZ-UHFFFAOYSA-N -1 0 490.453 5.644 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc4ccccc43)ccc2OC)cc1 ZINC000008708453 569595101 /nfs/dbraw/zinc/59/51/01/569595101.db2.gz 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COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000064802180 569631780 /nfs/dbraw/zinc/63/17/80/569631780.db2.gz UWKMCUOZCXIBKW-UHFFFAOYSA-N -1 0 489.601 5.698 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\c2cccs2)ccc1N1CCCCC1 ZINC000033784560 569634886 /nfs/dbraw/zinc/63/48/86/569634886.db2.gz GSUFLLTUAMIILB-OWBHPGMISA-N -1 0 497.642 5.200 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000064843410 569637914 /nfs/dbraw/zinc/63/79/14/569637914.db2.gz QGLZTEBDEPTHDA-UHFFFAOYSA-N -1 0 481.618 5.313 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000064843379 569637940 /nfs/dbraw/zinc/63/79/40/569637940.db2.gz OSNRPHNVOSNPJV-UHFFFAOYSA-N -1 0 481.618 5.313 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000064843408 569637950 /nfs/dbraw/zinc/63/79/50/569637950.db2.gz VEJZIJYCZJXQKF-UHFFFAOYSA-N -1 0 495.645 5.685 50 0 JKAARM 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/nfs/dbraw/zinc/69/28/34/569692834.db2.gz LJXGPFBINXVUJW-AREMUKBSSA-N -1 0 477.992 5.298 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000069704484 569693591 /nfs/dbraw/zinc/69/35/91/569693591.db2.gz IBWXGMLJSOCHME-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM CCOc1ccc(NC(=O)Cn2c3ccc(OC)cc3c3[n-]c(=S)n(CCC(C)C)c(=O)c32)cc1 ZINC000071328590 569696950 /nfs/dbraw/zinc/69/69/50/569696950.db2.gz QTUMHMQFMFMSKQ-UHFFFAOYSA-N -1 0 494.617 5.106 50 0 JKAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000035511006 569698181 /nfs/dbraw/zinc/69/81/81/569698181.db2.gz XCXYZCIDBBCADY-SFHVURJKSA-N -1 0 465.347 5.394 50 0 JKAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000035511004 569698233 /nfs/dbraw/zinc/69/82/33/569698233.db2.gz XCXYZCIDBBCADY-GOSISDBHSA-N -1 0 465.347 5.394 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3C)C2)cc1 ZINC000072314729 569702150 /nfs/dbraw/zinc/70/21/50/569702150.db2.gz BUGWAQMZAYMXFD-RUZDIDTESA-N -1 0 493.563 5.354 50 0 JKAARM COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C(=O)[O-])cc3)N2)cc1 ZINC000080324794 569707746 /nfs/dbraw/zinc/70/77/46/569707746.db2.gz NALQCYGLPHQSLE-FYYLOGMGSA-N -1 0 465.347 5.378 50 0 JKAARM Cc1ccccc1Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829492 569712994 /nfs/dbraw/zinc/71/29/94/569712994.db2.gz PZRMGRVRKYMXOZ-XYGWBWBKSA-N -1 0 496.542 5.018 50 0 JKAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c(C)c1 ZINC000085664780 569714825 /nfs/dbraw/zinc/71/48/25/569714825.db2.gz KVZJTAOCIAVZBP-UHFFFAOYSA-N -1 0 458.531 5.112 50 0 JKAARM Cc1c(C(=O)[O-])c(-c2cccc(I)c2)c(-c2ccc(Cl)cc2)n1C ZINC000090487045 569720896 /nfs/dbraw/zinc/72/08/96/569720896.db2.gz JJCGFEKHEVDOKO-UHFFFAOYSA-N -1 0 451.691 5.624 50 0 JKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000096562552 569741167 /nfs/dbraw/zinc/74/11/67/569741167.db2.gz SIPNOLJPGURAMJ-LIBAHTEVSA-N -1 0 493.151 5.465 50 0 JKAARM Cc1cccc([C@@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095946306 569731046 /nfs/dbraw/zinc/73/10/46/569731046.db2.gz APSMBGHQHJAYNI-SANMLTNESA-N -1 0 477.564 6.061 50 0 JKAARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114820 569733902 /nfs/dbraw/zinc/73/39/02/569733902.db2.gz PHZJOEYAYQOVOI-HXUWFJFHSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115159 569734215 /nfs/dbraw/zinc/73/42/15/569734215.db2.gz BTPYOHFZTIODJL-JOCHJYFZSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115160 569734321 /nfs/dbraw/zinc/73/43/21/569734321.db2.gz BTPYOHFZTIODJL-QFIPXVFZSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115351 569734415 /nfs/dbraw/zinc/73/44/15/569734415.db2.gz FZBPITLPJSNAHH-IBGZPJMESA-N -1 0 467.477 5.114 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116352 569735351 /nfs/dbraw/zinc/73/53/51/569735351.db2.gz JNOXWRXGIWZDCM-QHCPKHFHSA-N -1 0 496.515 5.728 50 0 biogenic JKAARM Cc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000097441882 569745109 /nfs/dbraw/zinc/74/51/09/569745109.db2.gz BQHPHBMLHPNFBZ-JWMGBEPHSA-N -1 0 485.609 6.339 50 0 JKAARM CCOc1cccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000097898292 569745945 /nfs/dbraw/zinc/74/59/45/569745945.db2.gz ASLBNAVJAIYAKX-QLTSDVKISA-N -1 0 496.441 6.033 50 0 JKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc(Cl)ccc1O ZINC000100165106 569754536 /nfs/dbraw/zinc/75/45/36/569754536.db2.gz QALCTWJKOQERMK-UHFFFAOYSA-N -1 0 486.959 5.625 50 0 JKAARM CC(=O)C(Cc1c(Cl)cccc1Cl)=C([O-])c1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000100325750 569757462 /nfs/dbraw/zinc/75/74/62/569757462.db2.gz ODBNKTGACIPYAO-CQSZACIVSA-N -1 0 457.144 5.512 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccccc2F)cc1 ZINC000100426045 569760187 /nfs/dbraw/zinc/76/01/87/569760187.db2.gz FONMMFZSDPCAHI-WENCNXQZSA-N -1 0 498.554 6.549 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000100426012 569760212 /nfs/dbraw/zinc/76/02/12/569760212.db2.gz WOKLPIVXNLDIIP-SLGOVJDISA-N -1 0 494.591 6.718 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000100426029 569760222 /nfs/dbraw/zinc/76/02/22/569760222.db2.gz AQURXAZLEXEGHY-PBBNMVCDSA-N -1 0 481.552 5.805 50 0 JKAARM CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000100425559 569760261 /nfs/dbraw/zinc/76/02/61/569760261.db2.gz XZYMGZZGAZFIOJ-NDEPHWFRSA-N -1 0 490.600 6.523 50 0 JKAARM CCCCSc1nnc2c(n1)O[C@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccccc1-2 ZINC000100524992 569763668 /nfs/dbraw/zinc/76/36/68/569763668.db2.gz CXINGIIRSSPNSH-OAQYLSRUSA-N -1 0 460.563 5.134 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5cccc6c5n(c4=O)CC6)cc3)sc2c1 ZINC000100663024 569766282 /nfs/dbraw/zinc/76/62/82/569766282.db2.gz LQJSEKPNBQKHPW-UHFFFAOYSA-N -1 0 453.523 5.101 50 0 JKAARM CCCCCCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(CCCCC)c2=O)cc1 ZINC000100702649 569767217 /nfs/dbraw/zinc/76/72/17/569767217.db2.gz ZCTSPCINJSAAOA-UHFFFAOYSA-N -1 0 450.579 6.109 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 ZINC000100721662 569767741 /nfs/dbraw/zinc/76/77/41/569767741.db2.gz JCMZHKDSHQCMEQ-IGKIAQTJSA-N -1 0 497.934 5.720 50 0 JKAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5ccccc5n(CC(C)C)c4=O)cc3)sc2c1 ZINC000100732569 569768162 /nfs/dbraw/zinc/76/81/62/569768162.db2.gz FWRVYUKEKYHWNG-UHFFFAOYSA-N -1 0 483.593 6.201 50 0 JKAARM CC(C)CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036357834 569772084 /nfs/dbraw/zinc/77/20/84/569772084.db2.gz RBVUMPZCMYOXEV-VWLOTQADSA-N -1 0 480.973 5.398 50 0 JKAARM CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccccc1Cl)C(=O)N2C ZINC000036364832 569772702 /nfs/dbraw/zinc/77/27/02/569772702.db2.gz UKTOOLPMNROGPE-RUZDIDTESA-N -1 0 480.973 5.495 50 0 JKAARM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn32)cc1 ZINC000100865761 569772846 /nfs/dbraw/zinc/77/28/46/569772846.db2.gz PGBFXJODYDVMSP-QFIPXVFZSA-N -1 0 477.977 5.097 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036366352 569773034 /nfs/dbraw/zinc/77/30/34/569773034.db2.gz RYJCOCJPGZPYDG-OAQYLSRUSA-N -1 0 459.310 5.001 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036366354 569773046 /nfs/dbraw/zinc/77/30/46/569773046.db2.gz RYJCOCJPGZPYDG-NRFANRHFSA-N -1 0 459.310 5.001 50 0 JKAARM CCn1cc(-c2csc([N-]c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)F)n3)n2)c(C)n1 ZINC000036614107 569778191 /nfs/dbraw/zinc/77/81/91/569778191.db2.gz ZTCRIEOJJXOYPX-UHFFFAOYSA-N -1 0 472.521 5.490 50 0 JKAARM O=C([O-])c1ccn(-c2ccc(NC(=O)c3cccc(COc4ccc5ccccc5c4)c3)cc2)n1 ZINC000036614285 569778253 /nfs/dbraw/zinc/77/82/53/569778253.db2.gz HFBXMEKCDONIAY-UHFFFAOYSA-N -1 0 463.493 5.555 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)nc2ccccc21 ZINC000036636094 569779500 /nfs/dbraw/zinc/77/95/00/569779500.db2.gz ZOTGMUUZLSDIQH-UHFFFAOYSA-N -1 0 451.322 6.898 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101017670 569779568 /nfs/dbraw/zinc/77/95/68/569779568.db2.gz HSQOUQCFHLDRPX-JOCHJYFZSA-N -1 0 477.977 5.097 50 0 JKAARM CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4cc(Cl)ccc4C)n3c(=O)c21 ZINC000101141647 569784283 /nfs/dbraw/zinc/78/42/83/569784283.db2.gz QYKNYOMMOUXBNK-VWLOTQADSA-N -1 0 494.020 5.001 50 0 JKAARM COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000101178240 569786237 /nfs/dbraw/zinc/78/62/37/569786237.db2.gz TXGYZICECONAGD-DFXYEROKSA-N -1 0 496.563 6.110 50 0 JKAARM CCOc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1 ZINC000101282290 569789064 /nfs/dbraw/zinc/78/90/64/569789064.db2.gz SFFCITISJJIWHN-UHFFFAOYSA-N -1 0 458.905 5.123 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3OCC)C2)c([O-])[nH]c1=S ZINC000101494670 569799887 /nfs/dbraw/zinc/79/98/87/569799887.db2.gz ZHMFZOBIERSYFX-NRFANRHFSA-N -1 0 481.643 6.168 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495164 569800013 /nfs/dbraw/zinc/80/00/13/569800013.db2.gz RIXKQKFJTBRQJE-IBGZPJMESA-N -1 0 481.986 5.304 50 0 JKAARM CCN(CC)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494746 569800092 /nfs/dbraw/zinc/80/00/92/569800092.db2.gz CNXYDAYSUUFJSP-FQEVSTJZSA-N -1 0 466.632 5.353 50 0 JKAARM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494867 569800121 /nfs/dbraw/zinc/80/01/21/569800121.db2.gz FKYYRRWOTBVZIC-VWLOTQADSA-N -1 0 497.620 5.772 50 0 JKAARM CCN(CC)c1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494748 569800168 /nfs/dbraw/zinc/80/01/68/569800168.db2.gz CNXYDAYSUUFJSP-HXUWFJFHSA-N -1 0 466.632 5.353 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495162 569800182 /nfs/dbraw/zinc/80/01/82/569800182.db2.gz RIXKQKFJTBRQJE-LJQANCHMSA-N -1 0 481.986 5.304 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101495299 569800271 /nfs/dbraw/zinc/80/02/71/569800271.db2.gz ASRHSALUORRANN-HXUWFJFHSA-N -1 0 483.615 5.484 50 0 JKAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495459 569800355 /nfs/dbraw/zinc/80/03/55/569800355.db2.gz JQSVMVKNLCFUOE-DEOSSOPVSA-N -1 0 499.592 5.215 50 0 JKAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=O ZINC000101495514 569800506 /nfs/dbraw/zinc/80/05/06/569800506.db2.gz QNFJUOFRYXVTCX-JOCHJYFZSA-N -1 0 463.603 5.524 50 0 JKAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000038188784 569800701 /nfs/dbraw/zinc/80/07/01/569800701.db2.gz IJJJGWCYBWHYOW-PCLIKHOPSA-N -1 0 469.585 5.350 50 0 JKAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101495591 569800775 /nfs/dbraw/zinc/80/07/75/569800775.db2.gz ISOVKPAUUCTNAS-IBGZPJMESA-N -1 0 455.967 5.054 50 0 JKAARM CCc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1 ZINC000101501693 569800963 /nfs/dbraw/zinc/80/09/63/569800963.db2.gz HLSZVKRGRKNOKA-UHFFFAOYSA-N -1 0 450.539 5.283 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101501718 569801017 /nfs/dbraw/zinc/80/10/17/569801017.db2.gz FXELMZXEGHCHRN-UHFFFAOYSA-N -1 0 490.482 5.739 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000101501746 569801043 /nfs/dbraw/zinc/80/10/43/569801043.db2.gz PAHUMCIXEODKMB-UHFFFAOYSA-N -1 0 482.993 5.552 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101524281 569801239 /nfs/dbraw/zinc/80/12/39/569801239.db2.gz QWPSCIZLZZVNBW-QHCPKHFHSA-N -1 0 492.004 5.405 50 0 JKAARM CCCc1c(OCCCCOc2cccc(Sc3ccccc3C(=O)[O-])c2)ccc(C(C)=O)c1O ZINC000038323903 569801432 /nfs/dbraw/zinc/80/14/32/569801432.db2.gz CULPUIMXWHATOA-UHFFFAOYSA-N -1 0 494.609 6.635 50 0 JKAARM CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766625 569804671 /nfs/dbraw/zinc/80/46/71/569804671.db2.gz ULVMHXOPLCCPPB-QHCPKHFHSA-N -1 0 491.613 5.504 50 0 JKAARM CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766634 569804679 /nfs/dbraw/zinc/80/46/79/569804679.db2.gz GCPQFBVECBSTMH-QHCPKHFHSA-N -1 0 490.629 5.171 50 0 JKAARM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766650 569804689 /nfs/dbraw/zinc/80/46/89/569804689.db2.gz QNGUMYWJPUCYBV-XMMPIXPASA-N -1 0 489.641 6.229 50 0 JKAARM CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=Nc2ccccc2S1 ZINC000101766664 569804847 /nfs/dbraw/zinc/80/48/47/569804847.db2.gz MNBPFPXTEPNHPA-HSZRJFAPSA-N -1 0 491.613 5.504 50 0 JKAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc2[n-]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101827738 569805332 /nfs/dbraw/zinc/80/53/32/569805332.db2.gz KLYUOYOKZWUSPI-UHFFFAOYSA-N -1 0 454.917 5.213 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)Nc1ccccc1F ZINC000101832581 569805705 /nfs/dbraw/zinc/80/57/05/569805705.db2.gz ISYNJGJCZUYGKU-UHFFFAOYSA-N -1 0 456.930 5.287 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@H](c3ccccc3Cl)C2)cc1 ZINC000101837058 569806108 /nfs/dbraw/zinc/80/61/08/569806108.db2.gz CXXBISZKGZXTCQ-QFIPXVFZSA-N -1 0 477.977 5.097 50 0 JKAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000101837577 569806233 /nfs/dbraw/zinc/80/62/33/569806233.db2.gz LDWRYPDYKSFDPD-OAQYLSRUSA-N -1 0 495.967 5.236 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000039145710 569809279 /nfs/dbraw/zinc/80/92/79/569809279.db2.gz BQTSAOSBQOAEAK-JOCHJYFZSA-N -1 0 471.431 5.640 50 0 JKAARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102523818 569813863 /nfs/dbraw/zinc/81/38/63/569813863.db2.gz AMWVGTBSLOIBQC-CHJDUVSTSA-N -1 0 480.564 6.410 50 0 JKAARM O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1 ZINC000102705279 569816406 /nfs/dbraw/zinc/81/64/06/569816406.db2.gz WYEYBWIORLZCAK-ZEZDXWPOSA-N -1 0 464.496 5.199 50 0 JKAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000102724515 569817468 /nfs/dbraw/zinc/81/74/68/569817468.db2.gz ROEKFNGYBTZDBZ-ZBLYBZFDSA-N -1 0 488.540 5.270 50 0 JKAARM C[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)C1 ZINC000102894294 569826553 /nfs/dbraw/zinc/82/65/53/569826553.db2.gz NUSKISHQODGNHM-SUMWQHHRSA-N -1 0 473.396 5.340 50 0 JKAARM O=C([O-])[C@H](Cc1c[nH]c2ccc(Cl)cc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000040566524 569830250 /nfs/dbraw/zinc/83/02/50/569830250.db2.gz ZRVDPQCSRZAYPG-DEOSSOPVSA-N -1 0 460.917 5.356 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3F)c(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2=O)c1 ZINC000103152882 569833519 /nfs/dbraw/zinc/83/35/19/569833519.db2.gz ZSGLEUHBYYYGQP-UHFFFAOYSA-N -1 0 497.957 7.265 50 0 JKAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCOc1ccc(-c2ccc(F)cc2F)cc1 ZINC000043761422 569838421 /nfs/dbraw/zinc/83/84/21/569838421.db2.gz UKMIUODLKZYGJX-WLRTZDKTSA-N -1 0 454.469 5.976 50 0 JKAARM CCCc1c(OCCCOc2ccc(Sc3ccccc3C(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000045068686 569839981 /nfs/dbraw/zinc/83/99/81/569839981.db2.gz CQUUSOVGUOZZPU-UHFFFAOYSA-N -1 0 480.582 6.245 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000104082679 569840542 /nfs/dbraw/zinc/84/05/42/569840542.db2.gz JOISOZCMNGDPJM-CRYYWNKWSA-N -1 0 490.556 6.302 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000105592165 569853231 /nfs/dbraw/zinc/85/32/31/569853231.db2.gz LLZZKDDEAGYORC-OOKCMDACSA-N -1 0 457.357 5.981 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c(O)c(CCc4c([O-])c5cc(F)cc6c5n(c4=O)[C@H](C)CC6)c(O)c1c23 ZINC000106947439 569855939 /nfs/dbraw/zinc/85/59/39/569855939.db2.gz RPGQPWPKHXVZDL-ZIAGYGMSSA-N -1 0 491.534 5.892 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)[O-])CC[C@@H]1C ZINC000107880680 569857736 /nfs/dbraw/zinc/85/77/36/569857736.db2.gz HSZFOQSMGNAIJM-KYCFOEAKSA-N -1 0 465.634 6.213 50 0 JKAARM O=C([O-])c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(Br)c1 ZINC000117326496 569862805 /nfs/dbraw/zinc/86/28/05/569862805.db2.gz RDVKYLZMXMNZTC-UHFFFAOYSA-N -1 0 452.304 5.186 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000136628931 569864727 /nfs/dbraw/zinc/86/47/27/569864727.db2.gz KRQCFZNUKDVABU-PWRODBHTSA-N -1 0 473.743 5.698 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000136629434 569864775 /nfs/dbraw/zinc/86/47/75/569864775.db2.gz BPYRSUOIWUFAKD-QKNQBKEWSA-N -1 0 473.743 5.698 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1Br ZINC000136636942 569864790 /nfs/dbraw/zinc/86/47/90/569864790.db2.gz ZSNSUJOGBHDYGJ-PWRODBHTSA-N -1 0 483.749 5.154 50 0 JKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 ZINC000140799004 569867447 /nfs/dbraw/zinc/86/74/47/569867447.db2.gz KIFIKVVGKMSJRH-NRFANRHFSA-N -1 0 466.331 5.156 50 0 JKAARM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000148258961 569867919 /nfs/dbraw/zinc/86/79/19/569867919.db2.gz SIPNOLJPGURAMJ-DDBGAENHSA-N -1 0 493.151 5.465 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170615368 569872963 /nfs/dbraw/zinc/87/29/63/569872963.db2.gz RUKCMZQTTMAJBL-DEOSSOPVSA-N -1 0 484.581 5.452 50 0 JKAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C1)c2-c1ccccc1 ZINC000170618938 569873132 /nfs/dbraw/zinc/87/31/32/569873132.db2.gz ZOJZADIEBROVFJ-NRFANRHFSA-N -1 0 485.565 5.108 50 0 JKAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000216832903 569879695 /nfs/dbraw/zinc/87/96/95/569879695.db2.gz YWSVZGRZMLEITI-UHFFFAOYSA-N -1 0 467.086 5.274 50 0 JKAARM Cc1oc2cc3oc(=O)c(CC(=O)NC[C@H]4CC[C@@H](C(=O)[O-])CC4)c(C)c3cc2c1-c1ccccc1 ZINC000217463899 569880074 /nfs/dbraw/zinc/88/00/74/569880074.db2.gz SRPFLAWELYPLTR-KESTWPANSA-N -1 0 487.552 5.373 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1)occ3-c1ccc(F)cc1 ZINC000217476729 569880082 /nfs/dbraw/zinc/88/00/82/569880082.db2.gz MZOFHMDQTFOWGC-SAABIXHNSA-N -1 0 491.515 5.203 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1)occ3C(C)(C)C ZINC000217474785 569880083 /nfs/dbraw/zinc/88/00/83/569880083.db2.gz NFIYTYXXELJWIG-QAQDUYKDSA-N -1 0 467.562 5.085 50 0 JKAARM CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(CC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000226890468 570039230 /nfs/dbraw/zinc/03/92/30/570039230.db2.gz XYZIWRRLWQCUOS-OYUWMTPXSA-N -1 0 486.568 5.098 50 0 JKAARM Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000230008618 570043338 /nfs/dbraw/zinc/04/33/38/570043338.db2.gz IGYJUWUTOCSWLQ-BHDDXSALSA-N -1 0 453.325 5.353 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239297294 570050217 /nfs/dbraw/zinc/05/02/17/570050217.db2.gz DYWADYLSDWXVEG-FEVNIDIWSA-N -1 0 476.532 5.068 50 0 JKAARM O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1 ZINC000239358420 570051212 /nfs/dbraw/zinc/05/12/12/570051212.db2.gz NGKKCMHSBRWVPL-ALTZYDRJSA-N -1 0 480.951 5.713 50 0 JKAARM COc1cccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000239412344 570051688 /nfs/dbraw/zinc/05/16/88/570051688.db2.gz SOTFIHHJHUBBKJ-WWDWLDGVSA-N -1 0 476.532 5.068 50 0 JKAARM Cc1cc(C)c(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c(C)c1 ZINC000239432747 570052117 /nfs/dbraw/zinc/05/21/17/570052117.db2.gz WHEUFGRVKOTSBF-BIYCFNCWSA-N -1 0 462.549 5.816 50 0 JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@H]2CC4)cc1 ZINC000239433573 570052400 /nfs/dbraw/zinc/05/24/00/570052400.db2.gz YAHGOSRWKWIBRM-MVWJFUNNSA-N -1 0 489.656 6.010 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc(Br)cc1 ZINC000241869027 570053568 /nfs/dbraw/zinc/05/35/68/570053568.db2.gz STVGXIHRBYAVSP-QGZVFWFLSA-N -1 0 470.150 5.298 50 0 JKAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c(C)c1 ZINC000245312507 570063701 /nfs/dbraw/zinc/06/37/01/570063701.db2.gz VFGVPJFOWZWFSG-TWJOJJKGSA-N -1 0 454.570 5.652 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)[O-])CC[C@H]1C ZINC000245325724 570064481 /nfs/dbraw/zinc/06/44/81/570064481.db2.gz HSZFOQSMGNAIJM-DJICUXLSSA-N -1 0 465.634 6.213 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000245327285 570065154 /nfs/dbraw/zinc/06/51/54/570065154.db2.gz NVTAQODLHBKFID-WXFUMESZSA-N -1 0 497.378 5.833 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)n1[n-]c(-c2ccc(Cl)cc2)c(N=Nc2ccccc2)c1=O ZINC000252426833 570080117 /nfs/dbraw/zinc/08/01/17/570080117.db2.gz NLHFWBFTWSEJRC-UHFFFAOYSA-N -1 0 452.301 5.240 50 0 JKAARM COc1ccc(N2C(SCC(=O)[O-])=NC(=Nc3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000252607872 570085823 /nfs/dbraw/zinc/08/58/23/570085823.db2.gz HFXAMAXVFZGQBM-UHFFFAOYSA-N -1 0 493.673 6.703 50 0 JKAARM Cc1cccc(C)c1N=C1N=C(SCC(=O)[O-])N(c2ccc(Cl)cc2)C12CCC(C)CC2 ZINC000252625086 570088138 /nfs/dbraw/zinc/08/81/38/570088138.db2.gz QCRKXSHWRXOLDC-UHFFFAOYSA-N -1 0 470.038 6.630 50 0 JKAARM Cc1cccc(C)c1N=C1N=C(SCC(=O)[O-])N(c2ccc(Br)cc2)C12CCCC2 ZINC000252635888 570089844 /nfs/dbraw/zinc/08/98/44/570089844.db2.gz XBDBKYQXRHIHRA-UHFFFAOYSA-N -1 0 486.435 6.103 50 0 JKAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000253394645 570095904 /nfs/dbraw/zinc/09/59/04/570095904.db2.gz AEYVMHRVPBMAPX-JOCHJYFZSA-N -1 0 451.478 5.038 50 0 JKAARM O=C1C[C@H](c2cccc3cccnc32)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253409974 570097592 /nfs/dbraw/zinc/09/75/92/570097592.db2.gz MSECJNBQFJOWEM-GOSISDBHSA-N -1 0 469.880 5.808 50 0 biogenic JKAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)c(OC)c1 ZINC000253412484 570097987 /nfs/dbraw/zinc/09/79/87/570097987.db2.gz RDPNSBJNNTYUMS-KRWDZBQOSA-N -1 0 478.884 5.277 50 0 biogenic JKAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccccc6)coc5c43)o2)cc1 ZINC000253413600 570098232 /nfs/dbraw/zinc/09/82/32/570098232.db2.gz VETSKKFGNQCKPB-FQEVSTJZSA-N -1 0 478.456 5.859 50 0 biogenic JKAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1OC ZINC000253413781 570098322 /nfs/dbraw/zinc/09/83/22/570098322.db2.gz VQKIVQJEIITPIO-INIZCTEOSA-N -1 0 478.884 5.277 50 0 biogenic JKAARM C[C@H](C(=O)[O-])[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253497521 570100344 /nfs/dbraw/zinc/10/03/44/570100344.db2.gz FGBZWCJQOIVRTN-VHRHTVCDSA-N -1 0 474.726 6.142 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OCC(=O)[O-] ZINC000257348497 570152498 /nfs/dbraw/zinc/15/24/98/570152498.db2.gz GFIJGEUKERLGTC-JYYRYSGDSA-N -1 0 460.699 6.468 50 0 JKAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)o2)cc1 ZINC000263585175 570170952 /nfs/dbraw/zinc/17/09/52/570170952.db2.gz FXZMKORGVLUCOJ-OAQYLSRUSA-N -1 0 462.505 6.122 50 0 biogenic JKAARM O=C([O-])c1ccccc1-c1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)o1 ZINC000263585666 570171161 /nfs/dbraw/zinc/17/11/61/570171161.db2.gz LFFQLWCWHKXXGN-OAQYLSRUSA-N -1 0 462.505 6.122 50 0 biogenic JKAARM O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3CC(=O)Nc4cccc5c4c3cn5Cc3ccccc3)o2)c1 ZINC000263585609 570171204 /nfs/dbraw/zinc/17/12/04/570171204.db2.gz KPZVIKCKSPBVFH-LJQANCHMSA-N -1 0 496.950 6.775 50 0 biogenic JKAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccccc6F)coc5c43)o2)cc1 ZINC000263585901 570171474 /nfs/dbraw/zinc/17/14/74/570171474.db2.gz NRNOIJZZYJOCDE-IBGZPJMESA-N -1 0 496.446 5.998 50 0 biogenic JKAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccccc6F)coc5c43)o2)cc1 ZINC000263585902 570171503 /nfs/dbraw/zinc/17/15/03/570171503.db2.gz NRNOIJZZYJOCDE-LJQANCHMSA-N -1 0 496.446 5.998 50 0 biogenic JKAARM O=C1C[C@H](c2cccnc2Cl)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000263588184 570172423 /nfs/dbraw/zinc/17/24/23/570172423.db2.gz QDIVASKULICKTG-CQSZACIVSA-N -1 0 454.265 5.308 50 0 JKAARM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309578893 570178836 /nfs/dbraw/zinc/17/88/36/570178836.db2.gz SBUQNBSWXBNWJT-UHFFFAOYSA-N -1 0 466.331 5.285 50 0 JKAARM COc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000328597078 570179013 /nfs/dbraw/zinc/17/90/13/570179013.db2.gz DGUNWZOCFUZOSE-FQEVSTJZSA-N -1 0 465.937 5.138 50 0 JKAARM CCCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2n(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000334163490 570185083 /nfs/dbraw/zinc/18/50/83/570185083.db2.gz UYNAAEFGKYWULB-RUZDIDTESA-N -1 0 473.598 5.243 50 0 JKAARM C[C@H](C(=O)[O-])N(Cc1c(F)cccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380903409 570185225 /nfs/dbraw/zinc/18/52/25/570185225.db2.gz VUEKRTLWPULBNP-OAHLLOKOSA-N -1 0 453.897 5.703 50 0 JKAARM Cc1noc(-c2ccc(CSCCC(=O)[O-])cc2)c1NC(=O)O[C@@H](C)c1ccccc1Cl ZINC000013648514 541108052 /nfs/dbraw/zinc/10/80/52/541108052.db2.gz LLIFMNUXGDHTRO-HNNXBMFYSA-N -1 0 474.966 6.321 50 0 in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000004166095 291568537 /nfs/dbraw/zinc/56/85/37/291568537.db2.gz PGOYMURMZNDHNS-BSFYVEDMSA-N -1 0 472.710 6.206 50 0 biogenic,in-vitro JKAARM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2cn3ccc(C)cc3n2)c1 ZINC000000629440 193861959 /nfs/dbraw/zinc/86/19/59/193861959.db2.gz UQEYQWRSFOQIKP-UHFFFAOYSA-N -1 0 462.358 5.426 50 0 JKAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(OC)c1 ZINC000000687813 193897869 /nfs/dbraw/zinc/89/78/69/193897869.db2.gz WAAGYXQHAAFWEQ-UHFFFAOYSA-N -1 0 474.966 5.027 50 0 JKAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(C)c3c2CCC3)cc1Cl ZINC000001030099 194005825 /nfs/dbraw/zinc/00/58/25/194005825.db2.gz YUOZBEMWCDBUKT-UHFFFAOYSA-N -1 0 471.966 5.084 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Oc2ccc(C)c3c2CCC3)cc1 ZINC000001043380 194008385 /nfs/dbraw/zinc/00/83/85/194008385.db2.gz AQYKMCLERVPGBZ-UHFFFAOYSA-N -1 0 461.505 6.404 50 0 JKAARM CCOC(=O)c1c(C)oc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000001047143 194008917 /nfs/dbraw/zinc/00/89/17/194008917.db2.gz XBWXNKMPLIKNJW-UHFFFAOYSA-N -1 0 467.465 5.560 50 0 JKAARM O=S(=O)([N-]c1cc(Cl)c(-n2cccc2)cc1Oc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001023874 194004692 /nfs/dbraw/zinc/00/46/92/194004692.db2.gz VMWYYKTZLTWUBI-UHFFFAOYSA-N -1 0 493.799 7.031 50 0 JKAARM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000001059866 194012360 /nfs/dbraw/zinc/01/23/60/194012360.db2.gz UUZSHIQMSRBBCJ-UHFFFAOYSA-N -1 0 456.951 5.213 50 0 JKAARM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1 ZINC000001063263 194012833 /nfs/dbraw/zinc/01/28/33/194012833.db2.gz QXHMAJUOYXCETE-UHFFFAOYSA-N -1 0 456.951 5.213 50 0 JKAARM CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000001065683 194014013 /nfs/dbraw/zinc/01/40/13/194014013.db2.gz QZASRUIWCSTLCE-UHFFFAOYSA-N -1 0 461.008 5.732 50 0 JKAARM CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000001076326 194018305 /nfs/dbraw/zinc/01/83/05/194018305.db2.gz FAQAFAIZPVBARC-UHFFFAOYSA-N -1 0 458.967 5.409 50 0 JKAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(OC)c1 ZINC000001072763 194016468 /nfs/dbraw/zinc/01/64/68/194016468.db2.gz HDXCYLGGYLIGSY-UHFFFAOYSA-N -1 0 474.966 5.027 50 0 JKAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000001110767 194027156 /nfs/dbraw/zinc/02/71/56/194027156.db2.gz XHGISBYVBWPVGP-UHFFFAOYSA-N -1 0 468.884 5.720 50 0 JKAARM O=C1[N-]C(=O)[C@@](CCc2ccncc2)(Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001115386 194029699 /nfs/dbraw/zinc/02/96/99/194029699.db2.gz DFAQYXPSDARAOV-XMMPIXPASA-N -1 0 478.346 5.129 50 0 JKAARM CC[C@@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc([C@@H](C)CC)cc1 ZINC000001118661 194031873 /nfs/dbraw/zinc/03/18/73/194031873.db2.gz HOWHWLVGOWOWGV-HTAPYJJXSA-N -1 0 483.663 5.229 50 0 JKAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCCCC2)c1 ZINC000001123156 194034801 /nfs/dbraw/zinc/03/48/01/194034801.db2.gz ZZXZIHFVLGWKTF-FCHUYYIVSA-N -1 0 463.578 5.067 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000001139728 194044203 /nfs/dbraw/zinc/04/42/03/194044203.db2.gz SPVTZEVKYRWLRU-ZDLGFXPLSA-N -1 0 483.307 5.785 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000001161267 194054972 /nfs/dbraw/zinc/05/49/72/194054972.db2.gz TXLFUTMVOGJQQB-MRXNPFEDSA-N -1 0 491.034 5.577 50 0 JKAARM O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000001206567 194070041 /nfs/dbraw/zinc/07/00/41/194070041.db2.gz SCOHBOHZAPDQLF-JYRVWZFOSA-N -1 0 455.127 5.158 50 0 JKAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000001176305 194062013 /nfs/dbraw/zinc/06/20/13/194062013.db2.gz BPHQGNVSCHGQKN-UHFFFAOYSA-N -1 0 462.303 5.252 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)c1C ZINC000001188270 194065219 /nfs/dbraw/zinc/06/52/19/194065219.db2.gz XQSBFCYIUIYOFX-ONNFQVAWSA-N -1 0 466.346 5.051 50 0 JKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000001229887 194076640 /nfs/dbraw/zinc/07/66/40/194076640.db2.gz JWJWFRQKZUBTOA-LJQANCHMSA-N -1 0 489.334 5.616 50 0 JKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000001229888 194076645 /nfs/dbraw/zinc/07/66/45/194076645.db2.gz JWJWFRQKZUBTOA-IBGZPJMESA-N -1 0 489.334 5.616 50 0 JKAARM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3Br)c21 ZINC000001211145 194071191 /nfs/dbraw/zinc/07/11/91/194071191.db2.gz RLZYLQBSMPKGDN-UHFFFAOYSA-N -1 0 489.174 5.822 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001391883 194114286 /nfs/dbraw/zinc/11/42/86/194114286.db2.gz HJRPBGHDDSMEHY-UHFFFAOYSA-N -1 0 461.631 6.108 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001391873 194114407 /nfs/dbraw/zinc/11/44/07/194114407.db2.gz SWXCHUBWFWHCBK-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001401242 194114955 /nfs/dbraw/zinc/11/49/55/194114955.db2.gz ZKZJSURLJGPKRL-UHFFFAOYSA-N -1 0 467.321 5.860 50 0 JKAARM CC(C)OC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001438281 194120428 /nfs/dbraw/zinc/12/04/28/194120428.db2.gz PDVXJZLGWXUODT-UHFFFAOYSA-N -1 0 496.976 5.393 50 0 JKAARM [O-]c1c(Cl)cc(Cl)cc1C(c1cc(Cl)cc(Cl)c1O)C(Cl)(Cl)Cl ZINC000001602468 194129162 /nfs/dbraw/zinc/12/91/62/194129162.db2.gz IHHXFGBJTXWXHB-UHFFFAOYSA-N -1 0 455.379 7.214 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1C ZINC000001779489 194138733 /nfs/dbraw/zinc/13/87/33/194138733.db2.gz WDIAVXDRWWHFRP-UHFFFAOYSA-N -1 0 498.388 5.197 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc2ccc(Cl)cc21 ZINC000001790009 194141010 /nfs/dbraw/zinc/14/10/10/194141010.db2.gz LWUPCWIVHGBLKP-UHFFFAOYSA-N -1 0 463.114 6.929 50 0 JKAARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000002814150 194166059 /nfs/dbraw/zinc/16/60/59/194166059.db2.gz KMVICIVFHCMUJO-MTJSOVHGSA-N -1 0 465.914 5.858 50 0 JKAARM O=C([O-])c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000002921281 194169443 /nfs/dbraw/zinc/16/94/43/194169443.db2.gz NAQOLNGSQBINHO-UHFFFAOYSA-N -1 0 492.578 8.443 50 0 JKAARM O=C(NCCC1=CCCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973684 194190157 /nfs/dbraw/zinc/19/01/57/194190157.db2.gz WLGSLZWZYZQPNO-UHFFFAOYSA-N -1 0 498.446 5.116 50 0 JKAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)N[C@@H]4CCCC[C@@H]4C)cc3)c(=O)c2cc1OCC ZINC000003010230 194203633 /nfs/dbraw/zinc/20/36/33/194203633.db2.gz QSZALDLUHGOTMI-LAUBAEHRSA-N -1 0 495.645 5.213 50 0 JKAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)N[C@H]4CCCC[C@@H]4C)cc3)c(=O)c2cc1OCC ZINC000003010228 194203655 /nfs/dbraw/zinc/20/36/55/194203655.db2.gz QSZALDLUHGOTMI-UWJYYQICSA-N -1 0 495.645 5.213 50 0 JKAARM CCc1ccccc1NC(=S)N(Cc1ccc(Br)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003035638 194214062 /nfs/dbraw/zinc/21/40/62/194214062.db2.gz RLPOPJRVOKOBJT-UHFFFAOYSA-N -1 0 483.431 6.109 50 0 JKAARM Cc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000003036021 194214075 /nfs/dbraw/zinc/21/40/75/194214075.db2.gz HCUHEIDMWDTNRV-UHFFFAOYSA-N -1 0 459.398 6.399 50 0 JKAARM Cc1cc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000003036020 194214093 /nfs/dbraw/zinc/21/40/93/194214093.db2.gz LUIXLNFRQKNSDP-UHFFFAOYSA-N -1 0 459.398 6.399 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2ccc(Cl)c(C)c2)cc1OC ZINC000003036484 194214227 /nfs/dbraw/zinc/21/42/27/194214227.db2.gz HJLMWTOTCDVISE-UHFFFAOYSA-N -1 0 485.005 5.763 50 0 JKAARM Cc1ccc(NC(=S)N(Cc2ccc(Cl)cc2)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000003037322 194214243 /nfs/dbraw/zinc/21/42/43/194214243.db2.gz WQNMCQBMAIBTEO-UHFFFAOYSA-N -1 0 465.446 6.392 50 0 JKAARM Cc1cc(NC(=S)N(Cc2ccc(Cl)cc2)CC2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000003037306 194214251 /nfs/dbraw/zinc/21/42/51/194214251.db2.gz PTFFDLJZYKQMPG-UHFFFAOYSA-N -1 0 465.446 6.392 50 0 JKAARM Cc1cc(C)cc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036493 194214255 /nfs/dbraw/zinc/21/42/55/194214255.db2.gz BHBFQJAKHZYRPQ-UHFFFAOYSA-N -1 0 489.479 6.156 50 0 JKAARM CCOC(=O)c1ccc(CN(C(=S)Nc2ccc(C)c(Cl)c2)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000003036383 194214259 /nfs/dbraw/zinc/21/42/59/194214259.db2.gz ZLVKXQYNHZDUQW-OAQYLSRUSA-N -1 0 477.026 5.523 50 0 JKAARM CCOC(=O)c1ccc(CN(C(=S)Nc2ccc(Cl)c(C)c2)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000003036385 194214301 /nfs/dbraw/zinc/21/43/01/194214301.db2.gz BLFLQKMQMQGFQK-NRFANRHFSA-N -1 0 477.026 5.523 50 0 JKAARM CCOC(=O)c1ccc(CN(C(=S)Nc2ccc(C)c(Cl)c2)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000003036381 194214339 /nfs/dbraw/zinc/21/43/39/194214339.db2.gz ZLVKXQYNHZDUQW-NRFANRHFSA-N -1 0 477.026 5.523 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c1 ZINC000003017879 194207820 /nfs/dbraw/zinc/20/78/20/194207820.db2.gz PGDFRMDRWMQHOL-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM CC(=O)c1ccc([N-]C(=S)Oc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cc1 ZINC000003088362 194224521 /nfs/dbraw/zinc/22/45/21/194224521.db2.gz VEQHCOJJNKYIOO-UHFFFAOYSA-N -1 0 469.360 5.680 50 0 JKAARM O=C(Nc1ccc2ccccc2c1)c1ccc(OC(=S)[N-]c2ccc(Br)cc2)cc1 ZINC000003088983 194224609 /nfs/dbraw/zinc/22/46/09/194224609.db2.gz BDYZUMWFJOLBAA-UHFFFAOYSA-N -1 0 477.383 6.630 50 0 JKAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003128164 194229050 /nfs/dbraw/zinc/22/90/50/194229050.db2.gz WCYYMAWCZXVQSW-UHFFFAOYSA-N -1 0 469.794 5.364 50 0 JKAARM O=S(=O)([N-]c1ccccc1Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000003128181 194229151 /nfs/dbraw/zinc/22/91/51/194229151.db2.gz XOHZWGNIUCDFNL-UHFFFAOYSA-N -1 0 479.332 6.359 50 0 JKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1 ZINC000003143273 194231672 /nfs/dbraw/zinc/23/16/72/194231672.db2.gz JKFWCIGPJOVPST-UHFFFAOYSA-N -1 0 486.527 6.769 50 0 JKAARM O=C([O-])c1ccccc1N(Cc1ccc(Br)cc1)C(=O)c1ccccc1Br ZINC000003166133 194232943 /nfs/dbraw/zinc/23/29/43/194232943.db2.gz PJLBSOJINABZAX-UHFFFAOYSA-N -1 0 489.163 5.757 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2OC(F)F)cc1 ZINC000003169302 194233232 /nfs/dbraw/zinc/23/32/32/194233232.db2.gz YTBFNHLMERFUMW-UHFFFAOYSA-N -1 0 456.474 5.084 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000003171073 194233950 /nfs/dbraw/zinc/23/39/50/194233950.db2.gz YXLKANLZPSYZBY-UHFFFAOYSA-N -1 0 458.568 5.903 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000003236543 194247294 /nfs/dbraw/zinc/24/72/94/194247294.db2.gz YUDNNOKITNIOON-UHFFFAOYSA-N -1 0 499.032 5.908 50 0 JKAARM Cc1c(CSc2nc3ccccc3s2)cc(C(=O)[O-])cc1CSc1nc2ccccc2s1 ZINC000003239654 194248126 /nfs/dbraw/zinc/24/81/26/194248126.db2.gz QXSHEFLISUEWNM-UHFFFAOYSA-N -1 0 494.688 7.497 50 0 JKAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)c1ccccc21 ZINC000003278336 194261019 /nfs/dbraw/zinc/26/10/19/194261019.db2.gz MEPAENKDDZLULD-UHFFFAOYSA-N -1 0 470.506 5.617 50 0 JKAARM O=C(CCCSc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003291807 194267675 /nfs/dbraw/zinc/26/76/75/194267675.db2.gz SGOBRILHHSECFG-UHFFFAOYSA-N -1 0 490.657 5.065 50 0 JKAARM Cc1ccc(F)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003325263 194282695 /nfs/dbraw/zinc/28/26/95/194282695.db2.gz RMAFLEQNHOIJDH-UHFFFAOYSA-N -1 0 469.357 5.011 50 0 JKAARM CCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000003326398 194283426 /nfs/dbraw/zinc/28/34/26/194283426.db2.gz YUNUDDSSFJANLM-UHFFFAOYSA-N -1 0 455.429 5.836 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000003328289 194284319 /nfs/dbraw/zinc/28/43/19/194284319.db2.gz RFSJITAOGGVBOM-UHFFFAOYSA-N -1 0 484.912 5.908 50 0 JKAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003389379 194310818 /nfs/dbraw/zinc/31/08/18/194310818.db2.gz JDWYPEPDZAIAHX-UHFFFAOYSA-N -1 0 492.397 5.048 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1 ZINC000003423523 194319299 /nfs/dbraw/zinc/31/92/99/194319299.db2.gz VOHISHSBTUPLBT-UHFFFAOYSA-N -1 0 497.882 6.053 50 0 JKAARM O=C(Nc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003486877 194332353 /nfs/dbraw/zinc/33/23/53/194332353.db2.gz ZBKDVNCWVURQKY-UHFFFAOYSA-N -1 0 487.400 5.717 50 0 JKAARM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c1 ZINC000003621067 194342056 /nfs/dbraw/zinc/34/20/56/194342056.db2.gz AETYBJPAOHNMSK-UHFFFAOYSA-N -1 0 482.359 5.050 50 0 JKAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(Cl)cc4)nc3O2)cc1 ZINC000003653367 194350904 /nfs/dbraw/zinc/35/09/04/194350904.db2.gz OEBMLFSGOGOXPG-OAQYLSRUSA-N -1 0 476.945 5.686 50 0 JKAARM CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3cccnc31)c1ccccc21 ZINC000003656727 194353484 /nfs/dbraw/zinc/35/34/84/194353484.db2.gz UIBVVPRILZVPAT-UHFFFAOYSA-N -1 0 488.565 6.200 50 0 JKAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000003671069 194358528 /nfs/dbraw/zinc/35/85/28/194358528.db2.gz ZWBXTJCIFAJSLD-YMDQVJCDSA-N -1 0 459.501 6.133 50 0 JKAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)N32)cc1 ZINC000003882120 194366651 /nfs/dbraw/zinc/36/66/51/194366651.db2.gz USWCTGIYKDAKAX-AHWVRZQESA-N -1 0 479.536 5.472 50 0 biogenic JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003946009 194367057 /nfs/dbraw/zinc/36/70/57/194367057.db2.gz PGOYMURMZNDHNS-MYPRUECHSA-N -1 0 472.710 6.206 50 0 biogenic,in-vitro JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004647352 194393119 /nfs/dbraw/zinc/39/31/19/194393119.db2.gz RNHALBZMXDEODU-INIZCTEOSA-N -1 0 450.539 5.827 50 0 JKAARM CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000008396114 194440129 /nfs/dbraw/zinc/44/01/29/194440129.db2.gz IWQMHABDCRAPMG-VCHYOVAHSA-N -1 0 476.348 5.171 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(OC)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000009427711 194769286 /nfs/dbraw/zinc/76/92/86/194769286.db2.gz CVLKRGORSAPVMY-QHCPKHFHSA-N -1 0 495.963 5.228 50 0 JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009428180 194770079 /nfs/dbraw/zinc/77/00/79/194770079.db2.gz WHBJYDJCXRWKIF-HSZRJFAPSA-N -1 0 468.513 5.065 50 0 JKAARM Cc1ccnc(O[C@H](C(=O)[O-])[C@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009434698 194781258 /nfs/dbraw/zinc/78/12/58/194781258.db2.gz XEIWZNDIXNFDDV-SQHAQQRYSA-N -1 0 474.557 5.633 50 0 JKAARM COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OCc1ccccc1Cl ZINC000009613129 194819337 /nfs/dbraw/zinc/81/93/37/194819337.db2.gz JCJLHUAYPVWLDV-SFQUDFHCSA-N -1 0 488.927 5.280 50 0 JKAARM Cc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C(=O)[O-])c4)n2)Cc2cc(C)ccc2O3)cc1 ZINC000009859772 195000459 /nfs/dbraw/zinc/00/04/59/195000459.db2.gz JHMZLMJWUPVYKX-UHFFFAOYSA-N -1 0 497.576 5.886 50 0 JKAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000009891864 195015435 /nfs/dbraw/zinc/01/54/35/195015435.db2.gz GWJLNYQQNPKIHE-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1OCc1ccccc1Cl ZINC000009892664 195016664 /nfs/dbraw/zinc/01/66/64/195016664.db2.gz CZDNVJYTFVYQJZ-UHFFFAOYSA-N -1 0 482.964 5.075 50 0 JKAARM O=C([O-])c1cc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1N1CCOCC1 ZINC000009907711 195018328 /nfs/dbraw/zinc/01/83/28/195018328.db2.gz SFTRGXQSRGFAJO-UHFFFAOYSA-N -1 0 487.383 5.719 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3cccc4cccnc43)ccc2Cl)c(C)c1 ZINC000009957176 195037010 /nfs/dbraw/zinc/03/70/10/195037010.db2.gz SEWKDDYJGNCOFZ-UHFFFAOYSA-N -1 0 495.988 5.323 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(=O)(=O)Nc1ccccc1F ZINC000012604600 195049584 /nfs/dbraw/zinc/04/95/84/195049584.db2.gz FQJAHQWHNVLUBR-UHFFFAOYSA-N -1 0 489.377 5.043 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)OCc1ccccc1 ZINC000012618706 195056016 /nfs/dbraw/zinc/05/60/16/195056016.db2.gz WKXREDWLBAZISF-UHFFFAOYSA-N -1 0 495.782 5.652 50 0 JKAARM CC(=O)N(c1nc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cs1)c1ccc(F)cc1F ZINC000012783222 195125835 /nfs/dbraw/zinc/12/58/35/195125835.db2.gz PHSRFRKRAWJZKK-MDWZMJQESA-N -1 0 471.510 5.731 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2c(C)nn(-c3ccc(C)cc3C)c2Cl)C1 ZINC000012863485 195160419 /nfs/dbraw/zinc/16/04/19/195160419.db2.gz YCUNFFHRSOPKDN-CPNJWEJPSA-N -1 0 487.003 6.073 50 0 JKAARM COc1cccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616720 195188314 /nfs/dbraw/zinc/18/83/14/195188314.db2.gz DRDDTLUNGQJPSC-WMMMYUQOSA-N -1 0 482.414 5.643 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2cccc(SC)c2)cc1OC ZINC000020679071 195203377 /nfs/dbraw/zinc/20/33/77/195203377.db2.gz GJHMBMUEDGWQKX-UHFFFAOYSA-N -1 0 482.627 5.523 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000020718977 195206312 /nfs/dbraw/zinc/20/63/12/195206312.db2.gz LZNPCDMFCBZUGJ-VWLOTQADSA-N -1 0 486.959 5.449 50 0 JKAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000020977835 195258436 /nfs/dbraw/zinc/25/84/36/195258436.db2.gz QJCBAYXZFOTZBB-UHFFFAOYSA-N -1 0 462.471 5.020 50 0 JKAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)s2)on1 ZINC000020994774 195263486 /nfs/dbraw/zinc/26/34/86/195263486.db2.gz YKEHUWVPKGJBBC-UHFFFAOYSA-N -1 0 480.873 5.053 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000021044363 195271239 /nfs/dbraw/zinc/27/12/39/195271239.db2.gz GKBDUCGRWBYNCT-GOSISDBHSA-N -1 0 467.349 5.397 50 0 JKAARM Cc1cccc(S(=O)(=O)Nc2cnc(N(Cc3ccccc3)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000064472350 195438429 /nfs/dbraw/zinc/43/84/29/195438429.db2.gz PAACOJCSPNIKAD-UHFFFAOYSA-N -1 0 487.581 5.096 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1ccccc1OC(F)F ZINC000096399860 130077117 /nfs/dbraw/zinc/07/71/17/130077117.db2.gz XFNKRZPCBRZYOL-ZHZULCJRSA-N -1 0 472.491 6.091 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(/CC(=O)[O-])c3nc4ccccc4s3)cc2OC)cc1 ZINC000096399874 130077210 /nfs/dbraw/zinc/07/72/10/130077210.db2.gz UICRYFWFKPWZNZ-MOSHPQCFSA-N -1 0 489.549 5.686 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000002577893 518201447 /nfs/dbraw/zinc/20/14/47/518201447.db2.gz PEYWNXMITXNNRZ-MUUNZHRXSA-N -1 0 463.533 6.408 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010888 518385222 /nfs/dbraw/zinc/38/52/22/518385222.db2.gz BTZCRWOXMFFWAH-UHFFFAOYSA-N -1 0 482.602 5.378 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)n(C)c2C)cc1 ZINC000065008729 518386344 /nfs/dbraw/zinc/38/63/44/518386344.db2.gz BDGISVNPFQSOFQ-UHFFFAOYSA-N -1 0 486.018 5.781 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1)C(=O)[O-] ZINC000037018979 518411558 /nfs/dbraw/zinc/41/15/58/518411558.db2.gz JDXABUKDJFUFAN-PEZBUJJGSA-N -1 0 476.579 5.578 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010972 518446023 /nfs/dbraw/zinc/44/60/23/518446023.db2.gz NIFWJQGELOLTFY-UHFFFAOYSA-N -1 0 482.602 5.378 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)c1 ZINC000065097992 518446443 /nfs/dbraw/zinc/44/64/43/518446443.db2.gz SCSPMFUVBRUJPF-UHFFFAOYSA-N -1 0 459.936 5.122 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)cs3)n(C)c2C)c1 ZINC000065008921 518447269 /nfs/dbraw/zinc/44/72/69/518447269.db2.gz QBOHOIWXIZQILH-UHFFFAOYSA-N -1 0 486.018 5.781 50 0 JKAARM CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000008618145 518495824 /nfs/dbraw/zinc/49/58/24/518495824.db2.gz SKYIUNBAOGTAGG-UHFFFAOYSA-N -1 0 476.063 6.986 50 0 JKAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)n1 ZINC000033297804 519077810 /nfs/dbraw/zinc/07/78/10/519077810.db2.gz VTCKBOMXMILIKA-UHFFFAOYSA-N -1 0 462.540 5.869 50 0 JKAARM CC(C)Sc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000008613821 519788711 /nfs/dbraw/zinc/78/87/11/519788711.db2.gz XFVIKHZWOJLGIU-UHFFFAOYSA-N -1 0 466.950 5.881 50 0 JKAARM CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000006146055 519833901 /nfs/dbraw/zinc/83/39/01/519833901.db2.gz QDYNAGFFMUKCGP-UHFFFAOYSA-N -1 0 495.601 6.126 50 0 JKAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)cc1 ZINC000002159237 519840455 /nfs/dbraw/zinc/84/04/55/519840455.db2.gz JTZBZLAPBKFXAD-AHWVRZQESA-N -1 0 479.536 5.472 50 0 biogenic JKAARM CCCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000018173470 520105312 /nfs/dbraw/zinc/10/53/12/520105312.db2.gz NJTHHGPXTZRHLG-ASMAQNQTSA-N -1 0 495.575 5.281 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OCC)cc1 ZINC000033254042 520543335 /nfs/dbraw/zinc/54/33/35/520543335.db2.gz PLMPSYKTKGEWDP-UHFFFAOYSA-N -1 0 482.602 5.391 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1 ZINC000033254043 520544097 /nfs/dbraw/zinc/54/40/97/520544097.db2.gz UMHOFPANJPVSBQ-UHFFFAOYSA-N -1 0 452.576 5.301 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033254039 520545342 /nfs/dbraw/zinc/54/53/42/520545342.db2.gz ROXDHWQSAAPVSI-UHFFFAOYSA-N -1 0 456.539 5.131 50 0 JKAARM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)n2C)nc1C ZINC000065036547 520565658 /nfs/dbraw/zinc/56/56/58/520565658.db2.gz OEVIJICMCOFQQY-UHFFFAOYSA-N -1 0 495.070 5.010 50 0 JKAARM CCOc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC3CCCC3)cc2)cc(OCC)c1OCC ZINC000012411420 520666131 /nfs/dbraw/zinc/66/61/31/520666131.db2.gz YMJIJUXVNJPZKI-JOCHJYFZSA-N -1 0 485.577 5.150 50 0 JKAARM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(=O)[O-])cc2)n2nc(SCc3ccccc3)nc2N1 ZINC000033085478 520809514 /nfs/dbraw/zinc/80/95/14/520809514.db2.gz IVKHMSFFWPINEH-QHCPKHFHSA-N -1 0 497.580 5.196 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccc(C)cc4)s3)no2)cc1 ZINC000046086889 520848058 /nfs/dbraw/zinc/84/80/58/520848058.db2.gz IPSFMQFSSXTWOI-UHFFFAOYSA-N -1 0 480.615 6.225 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)no2)cc1 ZINC000046086771 520849718 /nfs/dbraw/zinc/84/97/18/520849718.db2.gz FGCBUHADVAROQJ-UHFFFAOYSA-N -1 0 484.578 6.056 50 0 JKAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)c(C)c1 ZINC000065010547 520920462 /nfs/dbraw/zinc/92/04/62/520920462.db2.gz NUNONHPVMIAEMG-UHFFFAOYSA-N -1 0 497.661 5.549 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3cccs3)on2)cc1 ZINC000021786091 520923667 /nfs/dbraw/zinc/92/36/67/520923667.db2.gz FMDOPUFOJBJGMP-UHFFFAOYSA-N -1 0 458.495 6.031 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010940 521130687 /nfs/dbraw/zinc/13/06/87/521130687.db2.gz BQSREOJUEZPMAO-UHFFFAOYSA-N -1 0 484.618 5.574 50 0 JKAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000008637082 521173777 /nfs/dbraw/zinc/17/37/77/521173777.db2.gz JCVBIPDGNPIEDQ-KRWDZBQOSA-N -1 0 468.781 5.022 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)s1 ZINC000033306544 521193770 /nfs/dbraw/zinc/19/37/70/521193770.db2.gz GHKQJIKEUXYGNO-ZRDIBKRKSA-N -1 0 459.593 5.235 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)s1 ZINC000033306559 521193984 /nfs/dbraw/zinc/19/39/84/521193984.db2.gz LWVUGOPEJZXBCZ-CSKARUKUSA-N -1 0 485.509 5.383 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)s1 ZINC000033306496 521194045 /nfs/dbraw/zinc/19/40/45/521194045.db2.gz IIKWESGQOUYUPI-VQHVLOKHSA-N -1 0 465.984 5.326 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)s1 ZINC000033306541 521195533 /nfs/dbraw/zinc/19/55/33/521195533.db2.gz OSOWHIGJQMVKCX-CSKARUKUSA-N -1 0 463.606 5.086 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000021882705 521203386 /nfs/dbraw/zinc/20/33/86/521203386.db2.gz NWZQAKGZURTGJC-SFHVURJKSA-N -1 0 485.997 5.064 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000021882711 521203781 /nfs/dbraw/zinc/20/37/81/521203781.db2.gz MVCUTMMBNBXWBB-SFHVURJKSA-N -1 0 485.997 5.064 50 0 JKAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000021882720 521203887 /nfs/dbraw/zinc/20/38/87/521203887.db2.gz KALSFHPJMKMNHP-HXUWFJFHSA-N -1 0 479.606 5.027 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009009339 521286227 /nfs/dbraw/zinc/28/62/27/521286227.db2.gz RZRQGDKTTVPNGT-UHFFFAOYSA-N -1 0 450.539 5.656 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000004112647 521298469 /nfs/dbraw/zinc/29/84/69/521298469.db2.gz ZSEXKSGQCALTKW-QFIPXVFZSA-N -1 0 465.937 5.220 50 0 JKAARM CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000008454849 521448322 /nfs/dbraw/zinc/44/83/22/521448322.db2.gz HBRNVJPGPIDHOC-UHOSZYNNSA-N -1 0 455.576 5.462 50 0 JKAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297767 521545638 /nfs/dbraw/zinc/54/56/38/521545638.db2.gz FNXRBNNDYKSXEY-UHFFFAOYSA-N -1 0 450.607 5.147 50 0 JKAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000045992767 521620056 /nfs/dbraw/zinc/62/00/56/521620056.db2.gz HBVZSNYUJHGFSM-UHFFFAOYSA-N -1 0 465.980 5.363 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OCCC(C)C)c(OC)c2)C1 ZINC000033499860 521730244 /nfs/dbraw/zinc/73/02/44/521730244.db2.gz XNABELJTWYMQHH-ZHZULCJRSA-N -1 0 460.574 5.743 50 0 JKAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000006088363 521772692 /nfs/dbraw/zinc/77/26/92/521772692.db2.gz CWVJZYXRHJKPGT-UHFFFAOYSA-N -1 0 473.385 6.043 50 0 JKAARM CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000012252630 521874700 /nfs/dbraw/zinc/87/47/00/521874700.db2.gz CANOEZFFGPGNEU-UHFFFAOYSA-N -1 0 491.638 5.511 50 0 JKAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000016780480 522197082 /nfs/dbraw/zinc/19/70/82/522197082.db2.gz UPTNDPLGLDJKHI-UHFFFAOYSA-N -1 0 458.992 6.043 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000006110781 522426570 /nfs/dbraw/zinc/42/65/70/522426570.db2.gz GJOPWEUNSMHLLH-MRXNPFEDSA-N -1 0 466.994 6.341 50 0 JKAARM CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000006110709 522426756 /nfs/dbraw/zinc/42/67/56/522426756.db2.gz JPGPAIYTIOXUPS-QGZVFWFLSA-N -1 0 462.575 5.696 50 0 JKAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854754 522538309 /nfs/dbraw/zinc/53/83/09/522538309.db2.gz ZAHRXTDZYAAQCG-FQEVSTJZSA-N -1 0 488.444 5.277 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1Cl ZINC000033299327 522814019 /nfs/dbraw/zinc/81/40/19/522814019.db2.gz PEOQRHPZGJJDCX-UHFFFAOYSA-N -1 0 496.916 5.510 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1Cl ZINC000046141253 522814511 /nfs/dbraw/zinc/81/45/11/522814511.db2.gz QACFCQDUIQQBDQ-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM CCn1c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2cc(C(=O)[O-])ccc21 ZINC000002641851 523200920 /nfs/dbraw/zinc/20/09/20/523200920.db2.gz DVOKYTAIOAJBRZ-UHFFFAOYSA-N -1 0 475.599 5.415 50 0 JKAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000033170674 523439242 /nfs/dbraw/zinc/43/92/42/523439242.db2.gz FNGFSVAODJXWQL-QPEQYQDCSA-N -1 0 469.563 5.045 50 0 JKAARM COc1ccc(C(=O)Nc2cccc(/C=C(/CCC(=O)[O-])c3nc4ccccc4s3)c2)cc1 ZINC000033531026 523756015 /nfs/dbraw/zinc/75/60/15/523756015.db2.gz VOYVZKMRCLUBFD-CYVLTUHYSA-N -1 0 458.539 5.963 50 0 JKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010662 524066164 /nfs/dbraw/zinc/06/61/64/524066164.db2.gz IBBLKUWAZUABKY-UHFFFAOYSA-N -1 0 468.619 5.656 50 0 JKAARM Cc1ccc(C)c([C@H]2C[C@H](c3cccc(Cl)c3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000012447157 524213566 /nfs/dbraw/zinc/21/35/66/524213566.db2.gz XMXROKNHORCLNN-DENIHFKCSA-N -1 0 470.794 7.106 50 0 JKAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)c(C(=O)[O-])c2)c1 ZINC000033078582 524219187 /nfs/dbraw/zinc/21/91/87/524219187.db2.gz QFXHMWUDZSJJTC-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1 ZINC000033306654 524246153 /nfs/dbraw/zinc/24/61/53/524246153.db2.gz YCUWVXYVUYPFFL-RMKNXTFCSA-N -1 0 493.994 5.026 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(SCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000013940005 524595576 /nfs/dbraw/zinc/59/55/76/524595576.db2.gz KQAAWCWFVLUBPF-RUZDIDTESA-N -1 0 470.594 5.803 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1Cl ZINC000033299382 524682591 /nfs/dbraw/zinc/68/25/91/524682591.db2.gz KHSHZNPEVLAENU-UHFFFAOYSA-N -1 0 466.890 5.502 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000022708886 524752352 /nfs/dbraw/zinc/75/23/52/524752352.db2.gz MEQKVXZWXDEHLB-BEVDRBHNSA-N -1 0 472.994 5.373 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000022704987 524754056 /nfs/dbraw/zinc/75/40/56/524754056.db2.gz JSIKYHUXEPUCIA-HNNXBMFYSA-N -1 0 468.962 5.718 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)c1 ZINC000002400192 524809937 /nfs/dbraw/zinc/80/99/37/524809937.db2.gz RIBZIUKETOSTBX-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)c1C2 ZINC000002713128 524961838 /nfs/dbraw/zinc/96/18/38/524961838.db2.gz VFWYZQOYZNJFGI-UHFFFAOYSA-N -1 0 483.549 5.578 50 0 JKAARM Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)ccc2Cl)cc1Cl ZINC000002878259 525232257 /nfs/dbraw/zinc/23/22/57/525232257.db2.gz CUPKKRUDLJZIRD-UHFFFAOYSA-N -1 0 469.280 5.053 50 0 JKAARM Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c2c1CCC2 ZINC000008648380 525474907 /nfs/dbraw/zinc/47/49/07/525474907.db2.gz XOWBPOHWOMDDAK-UHFFFAOYSA-N -1 0 481.923 6.749 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccccc4C)cc3C)s2)cc1 ZINC000013349185 525618431 /nfs/dbraw/zinc/61/84/31/525618431.db2.gz BNABIGHGYGZJBY-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000009009449 525620120 /nfs/dbraw/zinc/62/01/20/525620120.db2.gz ASQNMANSVNTOLO-UHFFFAOYSA-N -1 0 474.464 5.381 50 0 JKAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000012252842 525634289 /nfs/dbraw/zinc/63/42/89/525634289.db2.gz OPGBXIYLLSWERN-UHFFFAOYSA-N -1 0 491.638 5.566 50 0 JKAARM COc1ccc2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009122135 525641383 /nfs/dbraw/zinc/64/13/83/525641383.db2.gz QIQUPIJNNLPCJE-HXUWFJFHSA-N -1 0 472.328 5.093 50 0 JKAARM Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)CSc2ccc(C)cc2)cc1 ZINC000002850687 525647671 /nfs/dbraw/zinc/64/76/71/525647671.db2.gz DBEHWCORUCYVKF-UHFFFAOYSA-N -1 0 480.611 5.463 50 0 JKAARM Cc1cc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)nc2c(C)c1 ZINC000006146599 525701878 /nfs/dbraw/zinc/70/18/78/525701878.db2.gz AGPUBUSKRDSPCH-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM C[C@@H](Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000006140617 525727112 /nfs/dbraw/zinc/72/71/12/525727112.db2.gz MLEJYKTVEPMFGE-CQSZACIVSA-N -1 0 473.385 5.911 50 0 JKAARM Cc1ccc(-c2cc([N-]c3nc4cc(S(=O)(=O)N(C)C)ccc4o3)nc(-c3ccccc3)c2)cc1 ZINC000006151705 525737352 /nfs/dbraw/zinc/73/73/52/525737352.db2.gz UHISPKVORMJPAO-UHFFFAOYSA-N -1 0 484.581 5.859 50 0 JKAARM COc1cccc(-n2c3nc(SCC(=O)Nc4c(C)cc(C)cc4C)[n-]c(=O)c3sc2=S)c1 ZINC000016840427 525748181 /nfs/dbraw/zinc/74/81/81/525748181.db2.gz LEAUTSFJZVCBTI-UHFFFAOYSA-N -1 0 498.655 5.169 50 0 JKAARM Cc1ccc(-c2csc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000006146758 525783061 /nfs/dbraw/zinc/78/30/61/525783061.db2.gz QAZLMVOXBQQSTB-UHFFFAOYSA-N -1 0 455.586 5.233 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3cccc(F)c3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012252163 525818573 /nfs/dbraw/zinc/81/85/73/525818573.db2.gz LJRDTTBDDITYMW-UHFFFAOYSA-N -1 0 481.574 5.088 50 0 JKAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000006144776 525890797 /nfs/dbraw/zinc/89/07/97/525890797.db2.gz GJSIDPAYJBXIKN-LBPRGKRZSA-N -1 0 499.397 5.040 50 0 JKAARM Cc1ccc(-c2onc3ccc(-c4cc(C(=O)[O-])c5cc(Br)ccc5n4)cc32)cc1 ZINC000008763749 525891020 /nfs/dbraw/zinc/89/10/20/525891020.db2.gz PHRGLUFDJKPFLZ-UHFFFAOYSA-N -1 0 459.299 6.479 50 0 JKAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000006144777 525894714 /nfs/dbraw/zinc/89/47/14/525894714.db2.gz GJSIDPAYJBXIKN-GFCCVEGCSA-N -1 0 499.397 5.040 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2oc1C(=O)N1CCCCC1 ZINC000065010586 525942153 /nfs/dbraw/zinc/94/21/53/525942153.db2.gz LINSSNSCGAYZEC-UHFFFAOYSA-N -1 0 460.983 5.438 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010703 525942318 /nfs/dbraw/zinc/94/23/18/525942318.db2.gz QKEQZYZOSWXDRF-UHFFFAOYSA-N -1 0 458.555 5.232 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2oc1C(=O)N1CCCCCC1 ZINC000065010949 525942811 /nfs/dbraw/zinc/94/28/11/525942811.db2.gz UTUKVWCAUGNPAP-UHFFFAOYSA-N -1 0 468.619 5.792 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010635 525942888 /nfs/dbraw/zinc/94/28/88/525942888.db2.gz LYLBFNOSJWPXJI-UHFFFAOYSA-N -1 0 454.592 5.402 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c2oc1C(=O)N1CCCCCC1 ZINC000065010926 525945091 /nfs/dbraw/zinc/94/50/91/525945091.db2.gz GWZHVPRSCJVMNC-UHFFFAOYSA-N -1 0 458.555 5.314 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2oc1C(=O)N1CCCCC1 ZINC000065010632 525945434 /nfs/dbraw/zinc/94/54/34/525945434.db2.gz SSXLPMSFEFZUNU-UHFFFAOYSA-N -1 0 475.010 5.747 50 0 JKAARM Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3)nc1SCC(=O)Nc1ccc(C(=O)[O-])cc1)O2 ZINC000002687996 526166405 /nfs/dbraw/zinc/16/64/05/526166405.db2.gz KLWFHABIFZDDIZ-UHFFFAOYSA-N -1 0 483.549 5.578 50 0 JKAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)c1 ZINC000065008810 526210199 /nfs/dbraw/zinc/21/01/99/526210199.db2.gz VTAQYVZKTZIXQK-UHFFFAOYSA-N -1 0 457.552 5.073 50 0 JKAARM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3 ZINC000085877584 526237541 /nfs/dbraw/zinc/23/75/41/526237541.db2.gz PXLRZTWYETUUBN-OPRQZIHKSA-N -1 0 492.524 5.013 50 0 JKAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C)c(F)c3)nc2c1 ZINC000016348358 526253884 /nfs/dbraw/zinc/25/38/84/526253884.db2.gz LOMMWTLTDQAMIH-UHFFFAOYSA-N -1 0 456.930 5.584 50 0 JKAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccc(F)cc3)nc2c1 ZINC000016348352 526254252 /nfs/dbraw/zinc/25/42/52/526254252.db2.gz ABQHGWVYXNENAW-UHFFFAOYSA-N -1 0 456.930 5.144 50 0 JKAARM Cc1coc2c1cc1c(C)c(CC(=O)NC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)c(=O)oc1c2C ZINC000013609786 526292060 /nfs/dbraw/zinc/29/20/60/526292060.db2.gz BJARIDFRYLUXBD-KRWDZBQOSA-N -1 0 481.932 5.035 50 0 JKAARM O=C([O-])c1cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000021715267 526348600 /nfs/dbraw/zinc/34/86/00/526348600.db2.gz KXXGCLXNPIULCK-UHFFFAOYSA-N -1 0 459.496 5.123 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000033253483 526354256 /nfs/dbraw/zinc/35/42/56/526354256.db2.gz NDFRITSRIWYSSY-UHFFFAOYSA-N -1 0 472.566 5.392 50 0 JKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 ZINC000009086323 526395680 /nfs/dbraw/zinc/39/56/80/526395680.db2.gz RFTUQMGZZQYXML-UHFFFAOYSA-N -1 0 460.540 5.415 50 0 JKAARM O=C([O-])c1csc(CSc2nnc(-c3ccccc3Cl)n2-c2cccc(Cl)c2)n1 ZINC000016461487 526406895 /nfs/dbraw/zinc/40/68/95/526406895.db2.gz ZEZWMAUVGSXIIS-UHFFFAOYSA-N -1 0 463.371 5.688 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036360926 526412576 /nfs/dbraw/zinc/41/25/76/526412576.db2.gz ZWUQRLJPUCZOCB-NRFANRHFSA-N -1 0 459.310 5.001 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)N(c1ccccn1)C1CCCCC1 ZINC000006140474 526807388 /nfs/dbraw/zinc/80/73/88/526807388.db2.gz CLBZMXXAOOESSC-UHFFFAOYSA-N -1 0 471.529 5.140 50 0 JKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1-c1cc(C(F)(F)F)on1 ZINC000033299353 526874483 /nfs/dbraw/zinc/87/44/83/526874483.db2.gz ONKFCTTUJXRAFE-UHFFFAOYSA-N -1 0 450.891 5.801 50 0 JKAARM O=C1C[C@H](c2ccccc2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000017198380 527032519 /nfs/dbraw/zinc/03/25/19/527032519.db2.gz ZPDSSYWRIVKGJA-LJQANCHMSA-N -1 0 477.955 6.397 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627195 527206994 /nfs/dbraw/zinc/20/69/94/527206994.db2.gz FKEXLARGDYNLCB-IBGZPJMESA-N -1 0 492.407 5.162 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(F)cc1Cl ZINC000033169029 527246620 /nfs/dbraw/zinc/24/66/20/527246620.db2.gz KWMQQNLMEVTMRQ-UHFFFAOYSA-N -1 0 453.347 6.210 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1)c1cccs1 ZINC000033276479 527246740 /nfs/dbraw/zinc/24/67/40/527246740.db2.gz LMVTXXFCODHJIL-UHFFFAOYSA-N -1 0 462.350 5.028 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000017246413 527259956 /nfs/dbraw/zinc/25/99/56/527259956.db2.gz SDTMVAAFTVHORO-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006147236 527435068 /nfs/dbraw/zinc/43/50/68/527435068.db2.gz STORRHQDFOCLSB-UHFFFAOYSA-N -1 0 466.609 5.952 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000013303413 527571575 /nfs/dbraw/zinc/57/15/75/527571575.db2.gz LLZZKDDEAGYORC-XTRLOZDISA-N -1 0 457.357 5.981 50 0 JKAARM O=C(/C=C/c1cccs1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000012499038 527641647 /nfs/dbraw/zinc/64/16/47/527641647.db2.gz SJPAMALSSDDENR-VQHVLOKHSA-N -1 0 453.372 5.508 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C ZINC000242543351 574420573 /nfs/dbraw/zinc/42/05/73/574420573.db2.gz JXSVIVRDWWRQRT-JNIANYJJSA-N -1 0 488.709 5.033 50 0 endogenous,in-man JKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627180 553715016 /nfs/dbraw/zinc/71/50/16/553715016.db2.gz DTPCNUHGVJIIKP-RTBURBONSA-N -1 0 476.404 5.150 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000659806 553738546 /nfs/dbraw/zinc/73/85/46/553738546.db2.gz VGKCQWCRMIAMBO-UHFFFAOYSA-N -1 0 452.576 5.354 50 0 JKAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccccc3n2)o1 ZINC000000696014 553760128 /nfs/dbraw/zinc/76/01/28/553760128.db2.gz XGLOYEHHODGIPA-UHFFFAOYSA-N -1 0 488.525 5.153 50 0 JKAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000000710099 553766094 /nfs/dbraw/zinc/76/60/94/553766094.db2.gz PUTYSOGDEGUMTO-AREMUKBSSA-N -1 0 494.551 5.090 50 0 JKAARM CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)CCCC2 ZINC000000727347 553774568 /nfs/dbraw/zinc/77/45/68/553774568.db2.gz BKLWXWIHVBSGMS-UHFFFAOYSA-N -1 0 498.626 5.165 50 0 JKAARM Cc1nc(-c2c(=O)c3cc(Br)c([O-])c(Br)c3oc2C(F)(F)F)cs1 ZINC000000939004 553875830 /nfs/dbraw/zinc/87/58/30/553875830.db2.gz IMCQJGWGROLEBQ-UHFFFAOYSA-N -1 0 485.075 5.474 50 0 JKAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc3ccccc32)cc1 ZINC000001233151 553936688 /nfs/dbraw/zinc/93/66/88/553936688.db2.gz NCZQTIRXSCXOKR-UHFFFAOYSA-N -1 0 483.553 5.286 50 0 JKAARM Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000001385915 553965922 /nfs/dbraw/zinc/96/59/22/553965922.db2.gz YJAYUMQEHCGDPC-UHFFFAOYSA-N -1 0 460.386 5.809 50 0 JKAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002100093 554042304 /nfs/dbraw/zinc/04/23/04/554042304.db2.gz MJAALYDNOUBWAK-JOCHJYFZSA-N -1 0 461.514 5.207 50 0 biogenic JKAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002113988 554052284 /nfs/dbraw/zinc/05/22/84/554052284.db2.gz MRNMWKGFVUIVFX-FQEVSTJZSA-N -1 0 455.551 5.146 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc2c1-c1ccccc1 ZINC000002117173 554053899 /nfs/dbraw/zinc/05/38/99/554053899.db2.gz HRXCSEGXUYINJX-UHFFFAOYSA-N -1 0 473.525 5.079 50 0 biogenic JKAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002119626 554054747 /nfs/dbraw/zinc/05/47/47/554054747.db2.gz PPYMUWMCQJLJJM-NRFANRHFSA-N -1 0 493.581 5.078 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002120791 554055636 /nfs/dbraw/zinc/05/56/36/554055636.db2.gz DPHGQCPWLBVKLB-OZAJXLCCSA-N -1 0 481.932 5.326 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1)occ3C(C)(C)C ZINC000002123357 554057173 /nfs/dbraw/zinc/05/71/73/554057173.db2.gz NFIYTYXXELJWIG-UHFFFAOYSA-N -1 0 467.562 5.085 50 0 biogenic JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002123900 554057396 /nfs/dbraw/zinc/05/73/96/554057396.db2.gz PLCQFHMTOTVIMM-HSZRJFAPSA-N -1 0 475.541 5.328 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC1CCC(C(=O)[O-])CC1)occ3-c1ccc(F)cc1 ZINC000002125357 554058050 /nfs/dbraw/zinc/05/80/50/554058050.db2.gz MZOFHMDQTFOWGC-UHFFFAOYSA-N -1 0 491.515 5.203 50 0 biogenic JKAARM CCCCc1ccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002126351 554058279 /nfs/dbraw/zinc/05/82/79/554058279.db2.gz WTTPPJPFCGDXDX-UHFFFAOYSA-N -1 0 481.021 6.479 50 0 JKAARM O=S(=O)([N-]c1ccccc1Oc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000002161646 554074705 /nfs/dbraw/zinc/07/47/05/554074705.db2.gz GSXBUHMSUDFTLY-UHFFFAOYSA-N -1 0 463.169 6.893 50 0 JKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000002166055 554075759 /nfs/dbraw/zinc/07/57/59/554075759.db2.gz VIQVQXRDDMLFQJ-UHFFFAOYSA-N -1 0 470.139 6.994 50 0 JKAARM O=C([O-])c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1 ZINC000002185943 554082889 /nfs/dbraw/zinc/08/28/89/554082889.db2.gz MKRJYIZRCZUXDY-UHFFFAOYSA-N -1 0 484.147 6.187 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000002194298 554088358 /nfs/dbraw/zinc/08/83/58/554088358.db2.gz FJXXFSWCBIQXTR-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002198777 554090455 /nfs/dbraw/zinc/09/04/55/554090455.db2.gz MZYCYMBRTFGCHM-UHFFFAOYSA-N -1 0 480.520 5.416 50 0 JKAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2Cl)c1 ZINC000002202565 554091626 /nfs/dbraw/zinc/09/16/26/554091626.db2.gz LRCDXCXBGFKRSV-UHFFFAOYSA-N -1 0 470.963 5.078 50 0 JKAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc(C(F)(F)F)c4)c(Cl)c1=O)(C3)C2 ZINC000002210146 554094697 /nfs/dbraw/zinc/09/46/97/554094697.db2.gz KTOSLFZUUZNLMP-GWEVUABKSA-N -1 0 467.875 5.039 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000002212238 554096088 /nfs/dbraw/zinc/09/60/88/554096088.db2.gz RXXCHODPTODWQX-WTNLLYQRSA-N -1 0 490.559 5.377 50 0 JKAARM CCOC(=O)c1c(C)nc([N-]c2nc3ccccc3s2)nc1CSc1ccc(Cl)cc1 ZINC000002226041 554103357 /nfs/dbraw/zinc/10/33/57/554103357.db2.gz WOFKWHBTDFTXPI-UHFFFAOYSA-N -1 0 471.007 6.261 50 0 JKAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002227478 554103805 /nfs/dbraw/zinc/10/38/05/554103805.db2.gz IWUCKAXMYNHGNN-UHFFFAOYSA-N -1 0 473.385 6.043 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000002234369 554107009 /nfs/dbraw/zinc/10/70/09/554107009.db2.gz XYIQQAIFNKKZPL-UHFFFAOYSA-N -1 0 486.528 6.106 50 0 JKAARM O=C([O-])CC1(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)CCCC1 ZINC000002234890 554107159 /nfs/dbraw/zinc/10/71/59/554107159.db2.gz MLZKVTOIELNYIR-UHFFFAOYSA-N -1 0 478.770 5.697 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000002238469 554108387 /nfs/dbraw/zinc/10/83/87/554108387.db2.gz RCVLPXFZJUWIRD-NRFANRHFSA-N -1 0 457.537 6.052 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002263794 554123791 /nfs/dbraw/zinc/12/37/91/554123791.db2.gz GOKWHTULYALYCJ-UHFFFAOYSA-N -1 0 482.565 6.275 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002264666 554124439 /nfs/dbraw/zinc/12/44/39/554124439.db2.gz VJCORUBWFPKCTB-UHFFFAOYSA-N -1 0 476.558 5.049 50 0 JKAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccc(Cl)cc3)CC4=O)nc(C)c2c1 ZINC000002332791 554152089 /nfs/dbraw/zinc/15/20/89/554152089.db2.gz KRUONPKBXWTYIW-INIZCTEOSA-N -1 0 459.937 5.437 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000002336134 554153772 /nfs/dbraw/zinc/15/37/72/554153772.db2.gz KJFAEHYWZREPIM-UHFFFAOYSA-N -1 0 459.358 5.350 50 0 JKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(OCc4ccccc4)cc3)n2)c1[O-] ZINC000002350845 554161243 /nfs/dbraw/zinc/16/12/43/554161243.db2.gz DMZOTMKELDATIV-UHFFFAOYSA-N -1 0 450.494 6.382 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002405721 554188274 /nfs/dbraw/zinc/18/82/74/554188274.db2.gz LRBKZTDGHUKFIE-UHFFFAOYSA-N -1 0 460.603 6.134 50 0 JKAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002415935 554195104 /nfs/dbraw/zinc/19/51/04/554195104.db2.gz VVHPHOUODLAZMB-UHFFFAOYSA-N -1 0 454.939 5.226 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000002440670 554209587 /nfs/dbraw/zinc/20/95/87/554209587.db2.gz QCJYVOQHFQWXMC-UHFFFAOYSA-N -1 0 473.385 5.392 50 0 JKAARM CCCCCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2cc1[O-] ZINC000002568451 554236789 /nfs/dbraw/zinc/23/67/89/554236789.db2.gz VYVVTOBGPAOQII-UHFFFAOYSA-N -1 0 456.464 6.493 50 0 JKAARM O=C([O-])C[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575628 554236906 /nfs/dbraw/zinc/23/69/06/554236906.db2.gz HCBMYXPXBOUBBR-LBPRGKRZSA-N -1 0 491.412 5.307 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Br ZINC000002585889 554238198 /nfs/dbraw/zinc/23/81/98/554238198.db2.gz DXTFQBWZFOPYGV-QFIPXVFZSA-N -1 0 466.331 5.504 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1Cl ZINC000002585873 554238211 /nfs/dbraw/zinc/23/82/11/554238211.db2.gz GQCANHDOGYQXNY-QFIPXVFZSA-N -1 0 456.325 6.048 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC5CCCCCC5)cc4)c3=O)c2c1 ZINC000002687902 554283729 /nfs/dbraw/zinc/28/37/29/554283729.db2.gz JHNRTVMCQHSLMV-UHFFFAOYSA-N -1 0 476.602 5.050 50 0 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CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(F)c(F)cc3Cl)ccc2OC)cc1 ZINC000009119329 554910158 /nfs/dbraw/zinc/91/01/58/554910158.db2.gz OCTQIOZUYJEBPM-UHFFFAOYSA-N -1 0 496.919 5.079 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1cc(Cl)ccc1Cl ZINC000009158431 554948110 /nfs/dbraw/zinc/94/81/10/554948110.db2.gz RIBBNQNYOBKLRZ-UHFFFAOYSA-N -1 0 459.358 5.350 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1cccc(C(=O)[O-])c1)C(=O)C2 ZINC000009198788 554970219 /nfs/dbraw/zinc/97/02/19/554970219.db2.gz CXFHXDOVUUBVDR-RUZDIDTESA-N -1 0 465.933 5.514 50 0 JKAARM O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000009261218 555036180 /nfs/dbraw/zinc/03/61/80/555036180.db2.gz KOABTJVTKJNNTP-WSDLNYQXSA-N -1 0 497.931 5.993 50 0 JKAARM CSc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009325760 555097307 /nfs/dbraw/zinc/09/73/07/555097307.db2.gz VJWKLYYPIJLMIX-UHFFFAOYSA-N -1 0 469.613 5.380 50 0 JKAARM O=C1C[C@@H](c2ccc(F)cc2)Cc2nc([N-]c3nc4ccccc4c(-c4ccccc4)n3)ncc21 ZINC000009345778 555112167 /nfs/dbraw/zinc/11/21/67/555112167.db2.gz JULWQKFHEGPQGA-IBGZPJMESA-N -1 0 461.500 5.882 50 0 JKAARM O=C1C[C@@H](c2ccc(F)cc2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000009349884 555116906 /nfs/dbraw/zinc/11/69/06/555116906.db2.gz NYVUNSZFQDPBLS-SFHVURJKSA-N -1 0 495.945 6.536 50 0 JKAARM CCOc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009354768 555119158 /nfs/dbraw/zinc/11/91/58/555119158.db2.gz RRFXSXUCXQPXTB-UHFFFAOYSA-N -1 0 467.572 5.057 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000009354784 555119197 /nfs/dbraw/zinc/11/91/97/555119197.db2.gz TVVIHTZZZUMACI-UHFFFAOYSA-N -1 0 484.002 5.825 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000009354773 555119219 /nfs/dbraw/zinc/11/92/19/555119219.db2.gz ZHNLUYMMVBTACC-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000009376383 555137288 /nfs/dbraw/zinc/13/72/88/555137288.db2.gz WAUAEHNHOZMVER-UHFFFAOYSA-N -1 0 476.554 5.079 50 0 JKAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 ZINC000009404416 555162707 /nfs/dbraw/zinc/16/27/07/555162707.db2.gz RHEIJLBKCJCWFQ-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 ZINC000009404417 555162772 /nfs/dbraw/zinc/16/27/72/555162772.db2.gz RHEIJLBKCJCWFQ-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM CCCCCOC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000009434629 555205433 /nfs/dbraw/zinc/20/54/33/555205433.db2.gz PCOBHYKLKBAJCY-HSZRJFAPSA-N -1 0 470.516 5.354 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009444309 555217391 /nfs/dbraw/zinc/21/73/91/555217391.db2.gz HTNJFJVDKORIFO-UHFFFAOYSA-N -1 0 480.973 5.484 50 0 JKAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000009500297 555284931 /nfs/dbraw/zinc/28/49/31/555284931.db2.gz UESTYEOGDRYPPQ-UHFFFAOYSA-N -1 0 484.404 5.055 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000009529539 555323658 /nfs/dbraw/zinc/32/36/58/555323658.db2.gz FZQVAGJLUDQITM-UHFFFAOYSA-N -1 0 466.607 5.067 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529529 555323732 /nfs/dbraw/zinc/32/37/32/555323732.db2.gz ANSMVHYTPDQJOB-UHFFFAOYSA-N -1 0 480.634 5.457 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000009539694 555331506 /nfs/dbraw/zinc/33/15/06/555331506.db2.gz QVSLYYGMVHUPOR-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2Cl)c(C)c1 ZINC000013138069 555334695 /nfs/dbraw/zinc/33/46/95/555334695.db2.gz GTZSFLQBSOHOGJ-UHFFFAOYSA-N -1 0 493.050 5.682 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000013140305 555337187 /nfs/dbraw/zinc/33/71/87/555337187.db2.gz QWDHLTWAAVZDIR-SANMLTNESA-N -1 0 468.553 5.129 50 0 JKAARM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009633783 555337739 /nfs/dbraw/zinc/33/77/39/555337739.db2.gz JGNDUMBJJRTSMR-UHFFFAOYSA-N -1 0 476.023 5.363 50 0 JKAARM CCOCc1c2ccccc2oc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000009634889 555340994 /nfs/dbraw/zinc/34/09/94/555340994.db2.gz WWAQOOPQIWGORU-UHFFFAOYSA-N -1 0 480.542 5.031 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSC)c1 ZINC000009635321 555342170 /nfs/dbraw/zinc/34/21/70/555342170.db2.gz OBWJDNMPZLFKIQ-UHFFFAOYSA-N -1 0 482.583 5.358 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(C)c(C)c4)ccc3s2)cc1 ZINC000013347467 555377580 /nfs/dbraw/zinc/37/75/80/555377580.db2.gz RGORKGVZDPPCNU-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccccc4F)ccc3s2)cc1 ZINC000013347563 555377975 /nfs/dbraw/zinc/37/79/75/555377975.db2.gz OCDRRXRHRCWVSH-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(F)cc4F)ccc3s2)cc1 ZINC000013347587 555378004 /nfs/dbraw/zinc/37/80/04/555378004.db2.gz SOMSHMJTGORLNU-UHFFFAOYSA-N -1 0 474.514 5.328 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3s2)cc1 ZINC000013348990 555378991 /nfs/dbraw/zinc/37/89/91/555378991.db2.gz UVYTYICGBMMJEJ-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccccc4F)cc3C)s2)cc1 ZINC000013349226 555379124 /nfs/dbraw/zinc/37/91/24/555379124.db2.gz RUIKNDSBGCIIFE-UHFFFAOYSA-N -1 0 470.551 5.497 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccc(C)c(C)c4)cc3C)s2)cc1 ZINC000013349173 555379137 /nfs/dbraw/zinc/37/91/37/555379137.db2.gz YOILAXBMVKYSSO-UHFFFAOYSA-N -1 0 480.615 5.975 50 0 JKAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)Nc1ccccc1Cl ZINC000013349359 555379562 /nfs/dbraw/zinc/37/95/62/555379562.db2.gz ZTEMEKLPDAVFFM-UHFFFAOYSA-N -1 0 458.952 5.395 50 0 JKAARM CCOc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000013349363 555379589 /nfs/dbraw/zinc/37/95/89/555379589.db2.gz PSHBWRKOMIZRSH-UHFFFAOYSA-N -1 0 468.560 5.140 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1Cl ZINC000013349372 555379644 /nfs/dbraw/zinc/37/96/44/555379644.db2.gz OEXIILANRASJQX-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM Cc1cc(NC(=O)Nc2ccccc2F)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349446 555379662 /nfs/dbraw/zinc/37/96/62/555379662.db2.gz VZENCQFQSBTMAT-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM COc1cc(NC(=O)Nc2cccc(Cl)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349579 555379853 /nfs/dbraw/zinc/37/98/53/555379853.db2.gz UOAODUDMICOZNQ-UHFFFAOYSA-N -1 0 488.978 5.403 50 0 JKAARM COc1cc(NC(=O)Nc2cc(C)ccc2OC)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349595 555379915 /nfs/dbraw/zinc/37/99/15/555379915.db2.gz JDRMOZKZKUVRRY-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000009667854 555381516 /nfs/dbraw/zinc/38/15/16/555381516.db2.gz GGPBFUAMCQCTLO-UHFFFAOYSA-N -1 0 473.312 5.270 50 0 JKAARM CCOc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361374 555387016 /nfs/dbraw/zinc/38/70/16/555387016.db2.gz RHBCYTLGEMHUBX-UHFFFAOYSA-N -1 0 468.560 5.140 50 0 JKAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1cccc(Cl)c1 ZINC000013361344 555387039 /nfs/dbraw/zinc/38/70/39/555387039.db2.gz AUXXWOSNZOKLOX-UHFFFAOYSA-N -1 0 458.952 5.395 50 0 JKAARM O=C([O-])c1cc(Cl)c(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000013423575 555397588 /nfs/dbraw/zinc/39/75/88/555397588.db2.gz DOKHTDKRPRRXMZ-UHFFFAOYSA-N -1 0 494.352 5.137 50 0 JKAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679099 555403895 /nfs/dbraw/zinc/40/38/95/555403895.db2.gz NXYADJMTIIHYSA-QFIPXVFZSA-N -1 0 474.314 5.287 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009679538 555406417 /nfs/dbraw/zinc/40/64/17/555406417.db2.gz PJMBXARQUZMIRR-JOCHJYFZSA-N -1 0 482.323 5.903 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679555 555406879 /nfs/dbraw/zinc/40/68/79/555406879.db2.gz ZHPXXJGUQNUGSS-QFIPXVFZSA-N -1 0 492.329 5.359 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679552 555406958 /nfs/dbraw/zinc/40/69/58/555406958.db2.gz ZHPXXJGUQNUGSS-JOCHJYFZSA-N -1 0 492.329 5.359 50 0 JKAARM CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)Nc1ccccc1-2 ZINC000009601819 555427049 /nfs/dbraw/zinc/42/70/49/555427049.db2.gz KHQWOWAUIWOZET-HSZRJFAPSA-N -1 0 496.589 5.186 50 0 JKAARM O=c1nc(CSc2nnc(C3CC3)n2C2CC2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000009730133 555464963 /nfs/dbraw/zinc/46/49/63/555464963.db2.gz RAHNCXHKBUXAGT-UHFFFAOYSA-N -1 0 455.996 5.401 50 0 JKAARM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000009730787 555466702 /nfs/dbraw/zinc/46/67/02/555466702.db2.gz CAIVYLKZEOGNSI-HWKANZROSA-N -1 0 491.400 5.349 50 0 JKAARM O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000013549428 555490800 /nfs/dbraw/zinc/49/08/00/555490800.db2.gz QDNKKGHLNBERHN-UHFFFAOYSA-N -1 0 482.974 5.484 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)c(Cl)c4)=NN32)c(C(=O)[O-])c1OC ZINC000013552683 555493024 /nfs/dbraw/zinc/49/30/24/555493024.db2.gz SNIMEQHMORWIBL-DVECYGJZSA-N -1 0 499.350 5.951 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558220 555494662 /nfs/dbraw/zinc/49/46/62/555494662.db2.gz FMIMFCRXYXVFTA-FUAOEXFOSA-N -1 0 454.695 7.442 50 0 biogenic,in-vivo JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000009782718 555503504 /nfs/dbraw/zinc/50/35/04/555503504.db2.gz DAEHIVFAEYIMGF-UHFFFAOYSA-N -1 0 477.542 5.020 50 0 JKAARM COC(=O)[C@]([N-]c1nc2ccc(Cl)cc2s1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C ZINC000013570576 555508952 /nfs/dbraw/zinc/50/89/52/555508952.db2.gz YKJOJACQXFLITD-MRXNPFEDSA-N -1 0 488.852 5.836 50 0 JKAARM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000009805519 555517490 /nfs/dbraw/zinc/51/74/90/555517490.db2.gz XRRLPAIWJSSXJC-UHFFFAOYSA-N -1 0 454.436 5.912 50 0 JKAARM COC(=O)c1ccccc1NC(=O)CSc1ccccc1[N-]C(=S)Nc1ccccc1 ZINC000013579089 555517945 /nfs/dbraw/zinc/51/79/45/555517945.db2.gz DUJQNPTWZBQYQL-UHFFFAOYSA-N -1 0 451.573 5.013 50 0 JKAARM CC(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)c2ccccc2)cc1 ZINC000013579260 555518208 /nfs/dbraw/zinc/51/82/08/555518208.db2.gz WHWMSQZBESMOFH-VCLNNIJQSA-N -1 0 488.565 5.331 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)C(=O)[O-] ZINC000013579286 555518320 /nfs/dbraw/zinc/51/83/20/555518320.db2.gz UWQIZMUJOIBHNR-RAXLEYEMSA-N -1 0 487.990 5.164 50 0 JKAARM C[C@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013579178 555518323 /nfs/dbraw/zinc/51/83/23/555518323.db2.gz USNHHCOXMRLZPO-INIZCTEOSA-N -1 0 471.538 5.305 50 0 JKAARM O=C([O-])CCN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(Cl)cc4)n3)cc21 ZINC000019862795 555520464 /nfs/dbraw/zinc/52/04/64/555520464.db2.gz CUUISMOIULDSCA-UHFFFAOYSA-N -1 0 484.939 5.936 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000009858072 555559373 /nfs/dbraw/zinc/55/93/73/555559373.db2.gz HSYSZEZAHYENEZ-UHFFFAOYSA-N -1 0 494.020 5.818 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000010013866 555595052 /nfs/dbraw/zinc/59/50/52/555595052.db2.gz TYTPLVSEPJBTMP-DEOSSOPVSA-N -1 0 498.608 5.842 50 0 JKAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)cc1OC ZINC000013739329 555606687 /nfs/dbraw/zinc/60/66/87/555606687.db2.gz MJOGFBHYJJQQRL-OAQYLSRUSA-N -1 0 491.487 6.048 50 0 JKAARM CC(C)C[C@H](NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000013796731 555620420 /nfs/dbraw/zinc/62/04/20/555620420.db2.gz ODTFPKNIFYMEHP-VWLOTQADSA-N -1 0 456.546 5.071 50 0 in-vitro JKAARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000020168151 555678680 /nfs/dbraw/zinc/67/86/80/555678680.db2.gz PJCJKCAHPFHKGV-YEYPGUGLSA-N -1 0 455.576 5.284 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000014186143 555727188 /nfs/dbraw/zinc/72/71/88/555727188.db2.gz FDDPTZRWONMIQF-UHFFFAOYSA-N -1 0 495.384 5.129 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4ccc(F)c(Cl)c4)c3=O)c2c1 ZINC000020331258 555776061 /nfs/dbraw/zinc/77/60/61/555776061.db2.gz OOSVGHGIKHXEEX-UHFFFAOYSA-N -1 0 474.945 5.150 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4cccc(Cl)c4)c3=O)c2c1 ZINC000020331309 555776573 /nfs/dbraw/zinc/77/65/73/555776573.db2.gz JEBXHTJVDHHOEE-UHFFFAOYSA-N -1 0 456.955 5.011 50 0 JKAARM O=C([O-])c1cc(/C=C/c2ccc(-c3cccc(Cl)c3)o2)nc2ccc(Br)cc21 ZINC000011692876 555801823 /nfs/dbraw/zinc/80/18/23/555801823.db2.gz CXXSUCVZRYVGRQ-AATRIKPKSA-N -1 0 454.707 6.779 50 0 JKAARM COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000020569161 555822917 /nfs/dbraw/zinc/82/29/17/555822917.db2.gz AZALBOXABMGNRY-UXHICEINSA-N -1 0 463.555 5.741 50 0 JKAARM COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000020569165 555822929 /nfs/dbraw/zinc/82/29/29/555822929.db2.gz AZALBOXABMGNRY-WOJBJXKFSA-N -1 0 463.555 5.741 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000011852698 555835746 /nfs/dbraw/zinc/83/57/46/555835746.db2.gz UCLQPKSPVFQXNS-HHHXNRCGSA-N -1 0 492.579 5.699 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](CC(C)C)C(=O)[O-])occ3-c1ccccc1 ZINC000011865601 555840480 /nfs/dbraw/zinc/84/04/80/555840480.db2.gz GGZQOPCAWIQMFY-JOCHJYFZSA-N -1 0 461.514 5.063 50 0 JKAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c2oc1=O ZINC000011865621 555840547 /nfs/dbraw/zinc/84/05/47/555840547.db2.gz UGEYFXNCYJMMDU-MWXLCCTBSA-N -1 0 485.621 5.307 50 0 biogenic JKAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000020604369 555845230 /nfs/dbraw/zinc/84/52/30/555845230.db2.gz DZHBQJCYYLKINP-UHFFFAOYSA-N -1 0 482.915 5.217 50 0 JKAARM Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nnc2-c2cc3ccccc3o2)cc1 ZINC000015019303 555860800 /nfs/dbraw/zinc/86/08/00/555860800.db2.gz LJFRZLXHDCPEKL-UHFFFAOYSA-N -1 0 484.537 5.418 50 0 JKAARM C[C@H]1Cc2cc(-c3cc(C(=O)[N-]c4c5ccccc5oc4C(=O)c4ccc(F)cc4)no3)ccc2O1 ZINC000011913904 555864074 /nfs/dbraw/zinc/86/40/74/555864074.db2.gz QWTKOIFXIULQST-HNNXBMFYSA-N -1 0 482.467 6.034 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000011915761 555866901 /nfs/dbraw/zinc/86/69/01/555866901.db2.gz DODAQIFEQRQIRZ-UHFFFAOYSA-N -1 0 471.900 6.554 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)on1 ZINC000011917155 555868240 /nfs/dbraw/zinc/86/82/40/555868240.db2.gz ANSDTOJLNBCEJU-UHFFFAOYSA-N -1 0 491.425 6.611 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC(C)C ZINC000015082283 555873261 /nfs/dbraw/zinc/87/32/61/555873261.db2.gz RUZRZPPNSRGYMY-INIZCTEOSA-N -1 0 455.507 5.522 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC1CCCC1 ZINC000015107248 555877704 /nfs/dbraw/zinc/87/77/04/555877704.db2.gz PGEHWXURYFUHGT-GOSISDBHSA-N -1 0 463.555 5.917 50 0 JKAARM Cc1ccc(C(=O)[C@H](C)[C@@H]2c3cc(Br)ccc3OC(=O)C2=C([O-])c2ccccc2)cc1 ZINC000015306256 555894969 /nfs/dbraw/zinc/89/49/69/555894969.db2.gz WFAVJZATFYOORT-AVIJNYRZSA-N -1 0 477.354 5.778 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112484 555908690 /nfs/dbraw/zinc/90/86/90/555908690.db2.gz FXILBOKMBWQYGB-UHFFFAOYSA-N -1 0 498.029 5.602 50 0 JKAARM Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112483 555908728 /nfs/dbraw/zinc/90/87/28/555908728.db2.gz LELRUBWVRXIPRX-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c(C)c1 ZINC000012112487 555908912 /nfs/dbraw/zinc/90/89/12/555908912.db2.gz ZVNWVPDCCUPMMO-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112530 555909151 /nfs/dbraw/zinc/90/91/51/555909151.db2.gz XBMDNGZMVDYYTF-UHFFFAOYSA-N -1 0 498.029 5.602 50 0 JKAARM [O-]c1c(Br)cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1Br ZINC000012311376 555949602 /nfs/dbraw/zinc/94/96/02/555949602.db2.gz OQTIXXLKBDCMKB-IBGZPJMESA-N -1 0 471.152 5.906 50 0 JKAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000015721704 555956099 /nfs/dbraw/zinc/95/60/99/555956099.db2.gz GFULWLRDJMLHCD-DEOSSOPVSA-N -1 0 491.653 6.468 50 0 JKAARM [O-]c1c([C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851973 555958875 /nfs/dbraw/zinc/95/88/75/555958875.db2.gz OOXFRYMSXWZRMA-OAQYLSRUSA-N -1 0 492.004 5.321 50 0 JKAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852220 555959225 /nfs/dbraw/zinc/95/92/25/555959225.db2.gz JJOYHGRARTUNFD-QHCPKHFHSA-N -1 0 488.588 5.940 50 0 JKAARM Cc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1 ZINC000022852345 555959604 /nfs/dbraw/zinc/95/96/04/555959604.db2.gz LKNWJIXEYUDWBS-QFIPXVFZSA-N -1 0 489.576 5.116 50 0 JKAARM Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022852402 555959618 /nfs/dbraw/zinc/95/96/18/555959618.db2.gz JVDHBNKYHWTVHP-JOCHJYFZSA-N -1 0 489.576 5.116 50 0 JKAARM C[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000022852520 555959885 /nfs/dbraw/zinc/95/98/85/555959885.db2.gz UHJGTBYSGKAYCJ-SJCJKPOMSA-N -1 0 463.390 5.885 50 0 JKAARM [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000022852549 555959891 /nfs/dbraw/zinc/95/98/91/555959891.db2.gz HXTWVAYYBDDBFZ-HXUWFJFHSA-N -1 0 497.407 6.211 50 0 JKAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000022852540 555959929 /nfs/dbraw/zinc/95/99/29/555959929.db2.gz ZGMWEOIPDRSFJC-QFSBIZTOSA-N -1 0 479.389 5.262 50 0 JKAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]C(=S)N=[S@@](C)(=O)c1ccc(Cl)cc1 ZINC000012367100 555960189 /nfs/dbraw/zinc/96/01/89/555960189.db2.gz AJJYMSNQEOYVKQ-PMERELPUSA-N -1 0 486.377 5.268 50 0 JKAARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854557 555960887 /nfs/dbraw/zinc/96/08/87/555960887.db2.gz CJJGGKDETWBNQW-QHCPKHFHSA-N -1 0 461.635 5.094 50 0 JKAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022854795 555961508 /nfs/dbraw/zinc/96/15/08/555961508.db2.gz BLFXNPHGSHSASJ-JOCHJYFZSA-N -1 0 498.052 5.023 50 0 JKAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854756 555961567 /nfs/dbraw/zinc/96/15/67/555961567.db2.gz ZAHRXTDZYAAQCG-HXUWFJFHSA-N -1 0 488.444 5.277 50 0 JKAARM O=C([O-])C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(OC2CCCC2)cc1 ZINC000012377280 555965740 /nfs/dbraw/zinc/96/57/40/555965740.db2.gz GJJPUMALIUKIFJ-QHCPKHFHSA-N -1 0 457.526 5.578 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccc(C)c(F)c4)cc3s2)cc1 ZINC000015729321 555969856 /nfs/dbraw/zinc/96/98/56/555969856.db2.gz NARSKOOPYICLNE-UHFFFAOYSA-N -1 0 455.536 5.105 50 0 JKAARM C[C@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000012383380 555971622 /nfs/dbraw/zinc/97/16/22/555971622.db2.gz FHUXCSWUJDKAFP-ARBPTSGCSA-N -1 0 463.327 5.470 50 0 JKAARM Cc1c2c(cc(=O)n1CCSc1ccc(Cl)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012390192 555973492 /nfs/dbraw/zinc/97/34/92/555973492.db2.gz MRUBERIUUSTAMC-UHFFFAOYSA-N -1 0 468.991 5.208 50 0 JKAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000015733761 555979436 /nfs/dbraw/zinc/97/94/36/555979436.db2.gz NXLLRLGGJJLHKC-UHFFFAOYSA-N -1 0 470.591 5.230 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccc(F)cc2)ccc1N1CCCCC1 ZINC000012497124 555990602 /nfs/dbraw/zinc/99/06/02/555990602.db2.gz GBSKZNFRDMXXID-UHFFFAOYSA-N -1 0 498.580 5.269 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1C ZINC000012530914 556000934 /nfs/dbraw/zinc/00/09/34/556000934.db2.gz VKVLAGXZKAMMPX-UHFFFAOYSA-N -1 0 488.565 5.849 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4CC)[n-]c(=O)c3sc2=S)cc1 ZINC000023118991 556012495 /nfs/dbraw/zinc/01/24/95/556012495.db2.gz SMGZUOMIBTYUCM-UHFFFAOYSA-N -1 0 498.655 5.197 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1C ZINC000012541231 556015303 /nfs/dbraw/zinc/01/53/03/556015303.db2.gz SRTXKTXLBIDQQL-FMIVXFBMSA-N -1 0 491.396 5.763 50 0 JKAARM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3cccs3)on2)cc1Cl ZINC000015833067 556018354 /nfs/dbraw/zinc/01/83/54/556018354.db2.gz QDMMYYYUVZDGLT-UHFFFAOYSA-N -1 0 478.913 6.295 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000015858783 556025898 /nfs/dbraw/zinc/02/58/98/556025898.db2.gz JTONGMCHZPTRKN-UHFFFAOYSA-N -1 0 470.957 5.682 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)N1CCc2ccccc2C1 ZINC000015858756 556025972 /nfs/dbraw/zinc/02/59/72/556025972.db2.gz XTFKBQGJRUQSGL-UHFFFAOYSA-N -1 0 479.005 5.094 50 0 JKAARM CC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)cc1 ZINC000015858770 556025985 /nfs/dbraw/zinc/02/59/85/556025985.db2.gz LRGREPBZTRNAII-UHFFFAOYSA-N -1 0 460.559 5.092 50 0 JKAARM CCOc1ccccc1NC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)nc1C ZINC000015858761 556026011 /nfs/dbraw/zinc/02/60/11/556026011.db2.gz WTACDDQMEOOWPE-UHFFFAOYSA-N -1 0 482.993 5.546 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Cc4ccc(F)cc4)cc3C)s2)cc1 ZINC000015862024 556034413 /nfs/dbraw/zinc/03/44/13/556034413.db2.gz UKWIIOMDDWBLRW-UHFFFAOYSA-N -1 0 469.563 5.034 50 0 JKAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccc(CSCc4ccccc4F)o3)cc2s1 ZINC000015862011 556034585 /nfs/dbraw/zinc/03/45/85/556034585.db2.gz WUBBIBRNXRMHBW-UHFFFAOYSA-N -1 0 491.591 5.086 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)COc4cccc(C)c4)cc3C)s2)cc1 ZINC000015862049 556034723 /nfs/dbraw/zinc/03/47/23/556034723.db2.gz YXINWVPZQITNSZ-UHFFFAOYSA-N -1 0 481.599 5.040 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)[C@H](C)Oc4ccccc4)cc3C)s2)cc1 ZINC000015862064 556034730 /nfs/dbraw/zinc/03/47/30/556034730.db2.gz OIAREGLCMOIDPS-KRWDZBQOSA-N -1 0 481.599 5.120 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000015870186 556049671 /nfs/dbraw/zinc/04/96/71/556049671.db2.gz MRBSKEBIBJWQEC-UHFFFAOYSA-N -1 0 473.963 5.011 50 0 JKAARM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2s1)C1CCCCC1 ZINC000015870246 556050138 /nfs/dbraw/zinc/05/01/38/556050138.db2.gz QFONGVRXBYXTQN-UHFFFAOYSA-N -1 0 456.014 5.331 50 0 JKAARM CCCn1c(CCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)nc2ccccc21 ZINC000015870750 556050893 /nfs/dbraw/zinc/05/08/93/556050893.db2.gz YBPOKKDIICBIHO-UHFFFAOYSA-N -1 0 479.602 5.050 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1F ZINC000015870821 556051337 /nfs/dbraw/zinc/05/13/37/556051337.db2.gz LELXYGKMLCFCKA-UHFFFAOYSA-N -1 0 471.557 5.751 50 0 JKAARM O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000015882437 556056536 /nfs/dbraw/zinc/05/65/36/556056536.db2.gz JABAODWFUYTQPO-UHFFFAOYSA-N -1 0 485.590 6.016 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012562953 556057608 /nfs/dbraw/zinc/05/76/08/556057608.db2.gz HFTKAUSRAHTCHR-UHFFFAOYSA-N -1 0 474.557 5.454 50 0 JKAARM Cc1cc(C)cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000023445606 556062362 /nfs/dbraw/zinc/06/23/62/556062362.db2.gz BWQOXUJZBYBTGH-UHFFFAOYSA-N -1 0 464.465 5.255 50 0 JKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000015911098 556064841 /nfs/dbraw/zinc/06/48/41/556064841.db2.gz PTDJDASUTGQLFT-UHFFFAOYSA-N -1 0 472.492 5.755 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000015911094 556064943 /nfs/dbraw/zinc/06/49/43/556064943.db2.gz BXSOTZACPZCJFG-UHFFFAOYSA-N -1 0 460.603 6.089 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000015911200 556065118 /nfs/dbraw/zinc/06/51/18/556065118.db2.gz RFGLHVHRPXFOPX-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(O)cc1 ZINC000015911126 556065182 /nfs/dbraw/zinc/06/51/82/556065182.db2.gz UFUXQBRPYJZDEL-UHFFFAOYSA-N -1 0 462.575 5.486 50 0 JKAARM O=C(CCc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012566907 556065616 /nfs/dbraw/zinc/06/56/16/556065616.db2.gz AYPZPPDFDBKVIO-UHFFFAOYSA-N -1 0 493.810 5.475 50 0 JKAARM CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC(=O)[O-] ZINC000015931031 556070429 /nfs/dbraw/zinc/07/04/29/556070429.db2.gz MHAAMBITAIOOSA-UHFFFAOYSA-N -1 0 462.127 5.064 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)sc1C(=O)[O-] ZINC000012576286 556076026 /nfs/dbraw/zinc/07/60/26/556076026.db2.gz CPHYKHVTMGKAGT-NIEGWMDSSA-N -1 0 465.525 6.229 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)sc1C(=O)[O-] ZINC000012576280 556076033 /nfs/dbraw/zinc/07/60/33/556076033.db2.gz CPHYKHVTMGKAGT-BAFDNMDASA-N -1 0 465.525 6.229 50 0 JKAARM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000015945417 556081607 /nfs/dbraw/zinc/08/16/07/556081607.db2.gz NQZWQEZWWZMJIX-BCTVWOGZSA-N -1 0 486.229 5.923 50 0 JKAARM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2)N3)C1 ZINC000015945421 556081644 /nfs/dbraw/zinc/08/16/44/556081644.db2.gz NQZWQEZWWZMJIX-VPTHRUTESA-N -1 0 486.229 5.923 50 0 JKAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000015955748 556088086 /nfs/dbraw/zinc/08/80/86/556088086.db2.gz IDQAPIAOEFXQBG-LFPIHBKWSA-N -1 0 475.541 5.289 50 0 JKAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000015956391 556088448 /nfs/dbraw/zinc/08/84/48/556088448.db2.gz YVIZJMFPEQMUCW-QWXGXRTQSA-N -1 0 475.541 5.371 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)c1 ZINC000012661516 556101114 /nfs/dbraw/zinc/10/11/14/556101114.db2.gz MRRXYEYSIFOGFP-WYBWAZTESA-N -1 0 489.656 6.010 50 0 biogenic JKAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000015987957 556101588 /nfs/dbraw/zinc/10/15/88/556101588.db2.gz DXNKOANFAUBMKH-UHFFFAOYSA-N -1 0 491.183 5.283 50 0 JKAARM CC[C@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000016035785 556119616 /nfs/dbraw/zinc/11/96/16/556119616.db2.gz NJDLUIAOOMCSMQ-DLBZAZTESA-N -1 0 486.615 5.246 50 0 JKAARM CC[C@H](C)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000016035787 556119630 /nfs/dbraw/zinc/11/96/30/556119630.db2.gz NJDLUIAOOMCSMQ-IRXDYDNUSA-N -1 0 486.615 5.246 50 0 JKAARM CCCCOc1cccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)c2)c1 ZINC000024193208 556126678 /nfs/dbraw/zinc/12/66/78/556126678.db2.gz VFIQCXFFHYRBCC-DEOSSOPVSA-N -1 0 477.582 5.505 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC000016425443 556138609 /nfs/dbraw/zinc/13/86/09/556138609.db2.gz OYWLPTIUXDDOHQ-RTWAWAEBSA-N -1 0 498.023 5.721 50 0 JKAARM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000024768767 556153135 /nfs/dbraw/zinc/15/31/35/556153135.db2.gz NPMHGOZAEBWDOD-UHFFFAOYSA-N -1 0 499.803 5.425 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2ccc(F)cc2)cc1NC(C)=O ZINC000012947639 556158266 /nfs/dbraw/zinc/15/82/66/556158266.db2.gz SOGZKTQGFLZNCE-UHFFFAOYSA-N -1 0 480.970 5.398 50 0 JKAARM CCN(CC)c1ccc(NC(=O)c2c[nH]c3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000024835874 556159024 /nfs/dbraw/zinc/15/90/24/556159024.db2.gz KSRVWVJZAJHGHK-UHFFFAOYSA-N -1 0 492.601 5.076 50 0 JKAARM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1C ZINC000024969701 556165680 /nfs/dbraw/zinc/16/56/80/556165680.db2.gz XAEWGYKLWIQAKX-UHFFFAOYSA-N -1 0 463.386 5.592 50 0 JKAARM O=C(C1CCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1)N1CCCCCC1 ZINC000024984814 556169762 /nfs/dbraw/zinc/16/97/62/556169762.db2.gz FHIAITMADWUGBS-UHFFFAOYSA-N -1 0 485.053 5.332 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)ccc2C)c1 ZINC000016956213 556187197 /nfs/dbraw/zinc/18/71/97/556187197.db2.gz XQOZCWXVJGEUGG-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 ZINC000017013681 556203436 /nfs/dbraw/zinc/20/34/36/556203436.db2.gz PLQHUXLTLHQQOS-UHFFFAOYSA-N -1 0 491.573 5.090 50 0 JKAARM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)n2)cc1 ZINC000017013990 556204247 /nfs/dbraw/zinc/20/42/47/556204247.db2.gz XDXZYRYDAUABGI-UHFFFAOYSA-N -1 0 479.537 5.221 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 ZINC000013014991 556206159 /nfs/dbraw/zinc/20/61/59/556206159.db2.gz QAMITEBPFKPHDD-UHFFFAOYSA-N -1 0 473.579 5.811 50 0 JKAARM Cc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc3cccc(C(=O)[O-])c32)cc1 ZINC000025391476 556212477 /nfs/dbraw/zinc/21/24/77/556212477.db2.gz IDAQCVHKWKDMQA-UHFFFAOYSA-N -1 0 467.550 5.916 50 0 JKAARM Cc1cc(NC(=O)c2ccc3ccccc3c2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135726 556222923 /nfs/dbraw/zinc/22/29/23/556222923.db2.gz ZOLKUVANLKJEJS-UHFFFAOYSA-N -1 0 489.539 5.038 50 0 JKAARM CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017143407 556225068 /nfs/dbraw/zinc/22/50/68/556225068.db2.gz HBRNVJPGPIDHOC-QRQLOZEOSA-N -1 0 455.576 5.462 50 0 JKAARM Cc1ccccc1-n1c2nc(SCC(=O)N[C@H](C)CCc3ccccc3)[n-]c(=O)c2sc1=S ZINC000017143740 556225306 /nfs/dbraw/zinc/22/53/06/556225306.db2.gz WEQJAVXVYDXHSZ-MRXNPFEDSA-N -1 0 496.683 5.043 50 0 JKAARM CSc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000017143759 556225364 /nfs/dbraw/zinc/22/53/64/556225364.db2.gz DDRQZOLAVRJSMR-UHFFFAOYSA-N -1 0 486.669 5.266 50 0 JKAARM Clc1ccc2nc([N-]c3nc4c(c(-c5ccccc5)n3)CCCC4)nc(-c3ccccc3)c2c1 ZINC000017196347 556238379 /nfs/dbraw/zinc/23/83/79/556238379.db2.gz WRGZQNJDSYSPKT-UHFFFAOYSA-N -1 0 463.972 7.030 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000017198476 556239235 /nfs/dbraw/zinc/23/92/35/556239235.db2.gz QZIRWOVAGYIKHD-UHFFFAOYSA-N -1 0 450.467 5.255 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000017249317 556247565 /nfs/dbraw/zinc/24/75/65/556247565.db2.gz ZRWPEAHRGQQQPR-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1Cl ZINC000017249418 556247933 /nfs/dbraw/zinc/24/79/33/556247933.db2.gz LFSRPVZKGUYQRZ-UHFFFAOYSA-N -1 0 468.966 5.453 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1C ZINC000017251075 556247948 /nfs/dbraw/zinc/24/79/48/556247948.db2.gz MTGSFQASDOBTKG-UHFFFAOYSA-N -1 0 452.967 5.313 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2Cl)c1 ZINC000017252235 556248240 /nfs/dbraw/zinc/24/82/40/556248240.db2.gz HINLSHSEJPGBIM-UHFFFAOYSA-N -1 0 452.967 5.313 50 0 JKAARM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2ccccc2C(=O)[O-])cc1 ZINC000013080218 556278398 /nfs/dbraw/zinc/27/83/98/556278398.db2.gz KWDSIHUWQLTRJN-SANMLTNESA-N -1 0 480.520 5.303 50 0 JKAARM COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COc2ccccc2C(=O)[O-])cc1 ZINC000013080219 556278439 /nfs/dbraw/zinc/27/84/39/556278439.db2.gz KWDSIHUWQLTRJN-AREMUKBSSA-N -1 0 480.520 5.303 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027582331 556300204 /nfs/dbraw/zinc/30/02/04/556300204.db2.gz FDZBKDCRDIEZST-UHFFFAOYSA-N -1 0 465.509 6.518 50 0 JKAARM CC1C(=O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000027644086 556301709 /nfs/dbraw/zinc/30/17/09/556301709.db2.gz KQJSQWZMSAGSHN-XGCYGVJJSA-N -1 0 450.619 6.698 50 0 biogenic JKAARM CCc1ccc(Cc2cc(C)cc(C)c2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000018194767 556301937 /nfs/dbraw/zinc/30/19/37/556301937.db2.gz BRUAFRUKFGAGCR-UHFFFAOYSA-N -1 0 463.426 6.443 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027662631 556302084 /nfs/dbraw/zinc/30/20/84/556302084.db2.gz PEMYPKDDEXFMIT-UHFFFAOYSA-N -1 0 451.482 6.209 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000027662660 556302115 /nfs/dbraw/zinc/30/21/15/556302115.db2.gz UARFRKRYXCHKQB-UHFFFAOYSA-N -1 0 467.481 5.909 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000027662658 556302156 /nfs/dbraw/zinc/30/21/56/556302156.db2.gz RUJIWODPLXTGQC-UHFFFAOYSA-N -1 0 469.472 6.348 50 0 JKAARM Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000027663344 556302669 /nfs/dbraw/zinc/30/26/69/556302669.db2.gz CYLQIZPYLMMWCX-UHFFFAOYSA-N -1 0 492.376 5.013 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1C ZINC000028025778 556312880 /nfs/dbraw/zinc/31/28/80/556312880.db2.gz IDSBFQRKZJUIDS-UHFFFAOYSA-N -1 0 499.639 5.171 50 0 JKAARM O=C([O-])CCn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000028464465 556333741 /nfs/dbraw/zinc/33/37/41/556333741.db2.gz ZHIOSIGZMDAITF-UHFFFAOYSA-N -1 0 475.962 5.557 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000013126192 556341266 /nfs/dbraw/zinc/34/12/66/556341266.db2.gz RCWKUKFWULFZOY-MFKUBSTISA-N -1 0 496.494 5.349 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000013128937 556350064 /nfs/dbraw/zinc/35/00/64/556350064.db2.gz XNSJHPVOOYSXSP-UHFFFAOYSA-N -1 0 491.565 5.184 50 0 JKAARM COc1ccc2c(c1)nc(SCC(=O)N1Cc3ccccc3C[C@@H]1C(=O)[O-])cc2-c1ccccc1 ZINC000013134396 556363243 /nfs/dbraw/zinc/36/32/43/556363243.db2.gz HNVSMPFSSSWFCV-RUZDIDTESA-N -1 0 484.577 5.041 50 0 JKAARM COc1ccc([C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)C2CC2)cc1 ZINC000031258268 556395166 /nfs/dbraw/zinc/39/51/66/556395166.db2.gz XULFIYODUWFSDO-VWLOTQADSA-N -1 0 485.609 5.191 50 0 JKAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(Br)cc42)CC3)cc1 ZINC000031815777 556407145 /nfs/dbraw/zinc/40/71/45/556407145.db2.gz UKXLPGBVUJZJAI-OAQYLSRUSA-N -1 0 498.402 5.247 50 0 JKAARM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000031817343 556407382 /nfs/dbraw/zinc/40/73/82/556407382.db2.gz VKDJBJWNGRXOJD-NRFANRHFSA-N -1 0 474.504 6.097 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000032073634 556413611 /nfs/dbraw/zinc/41/36/11/556413611.db2.gz WGPHXVMORCHCHO-QFIPXVFZSA-N -1 0 499.342 5.114 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000032073662 556413675 /nfs/dbraw/zinc/41/36/75/556413675.db2.gz LGCOMLXNYITNRK-QFIPXVFZSA-N -1 0 454.891 5.005 50 0 JKAARM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032097059 556415967 /nfs/dbraw/zinc/41/59/67/556415967.db2.gz GTSYJIAHQRZTJC-AREMUKBSSA-N -1 0 498.608 5.305 50 0 JKAARM CCCc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)c(Cl)c3)c(=O)[n-]2)cc1 ZINC000032810089 556500285 /nfs/dbraw/zinc/50/02/85/556500285.db2.gz FGUZMPJWANGAMM-UHFFFAOYSA-N -1 0 463.390 5.158 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4cccc(CC)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948239 556563096 /nfs/dbraw/zinc/56/30/96/556563096.db2.gz NWGPGHMINQGKAY-UHFFFAOYSA-N -1 0 498.655 5.197 50 0 JKAARM CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948449 556564044 /nfs/dbraw/zinc/56/40/44/556564044.db2.gz MQBZPIYBIGLBRL-UHFFFAOYSA-N -1 0 468.629 5.106 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948623 556564261 /nfs/dbraw/zinc/56/42/61/556564261.db2.gz VVVXIVDSAFAAJM-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM CSc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000032948633 556564385 /nfs/dbraw/zinc/56/43/85/556564385.db2.gz JGHUNZURCVQYNE-UHFFFAOYSA-N -1 0 486.669 5.266 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000039560122 560085892 /nfs/dbraw/zinc/08/58/92/560085892.db2.gz RWNHLTKFBKYDOJ-VRLJFTJLSA-N -1 0 488.709 5.177 50 0 biogenic,in-vitro JKAARM Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2N2CCCCC2)cc1 ZINC000001147309 562919771 /nfs/dbraw/zinc/91/97/71/562919771.db2.gz NVLJOYMLQAJWLH-UHFFFAOYSA-N -1 0 457.530 5.188 50 0 JKAARM COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccccc1C(=O)[O-])N(c1ccc(OC)cc1)C3=O ZINC000008613062 562947977 /nfs/dbraw/zinc/94/79/77/562947977.db2.gz FIPGESOJGYKQNR-HSZRJFAPSA-N -1 0 489.553 5.229 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2C1 ZINC000008681775 562951334 /nfs/dbraw/zinc/95/13/34/562951334.db2.gz KLHSKTMVSOWVLD-FKEXVDTASA-N -1 0 472.710 6.204 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008686191 562952731 /nfs/dbraw/zinc/95/27/31/562952731.db2.gz FAMKTXRFSGOAAK-QFIPXVFZSA-N -1 0 470.554 5.143 50 0 JKAARM COc1ccc(C2=NN(c3nc(-c4ccccc4)c(CC(=O)[O-])s3)[C@@H](c3ccco3)C2)cc1 ZINC000008692334 562954280 /nfs/dbraw/zinc/95/42/80/562954280.db2.gz CFGHRAUIXLZNBY-HXUWFJFHSA-N -1 0 459.527 5.395 50 0 aggregator JKAARM COc1ccc(C(=O)Nc2cccc(/C=C(\CCC(=O)[O-])c3nc4ccccc4s3)c2)cc1 ZINC000009119413 562955448 /nfs/dbraw/zinc/95/54/48/562955448.db2.gz VOYVZKMRCLUBFD-XDJHFCHBSA-N -1 0 458.539 5.963 50 0 JKAARM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3cccs3)c3ccccc3c2oc1-c1ccccc1 ZINC000008439286 569589680 /nfs/dbraw/zinc/58/96/80/569589680.db2.gz WLXRDJRDHDKOCZ-UHFFFAOYSA-N -1 0 477.563 6.292 50 0 JKAARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000008438820 569589727 /nfs/dbraw/zinc/58/97/27/569589727.db2.gz HLXFEHVQCUVISQ-BKUYFWCQSA-N -1 0 465.914 5.858 50 0 JKAARM CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000008454850 569591618 /nfs/dbraw/zinc/59/16/18/569591618.db2.gz HBRNVJPGPIDHOC-WDSOQIARSA-N -1 0 455.576 5.462 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000032962032 569602691 /nfs/dbraw/zinc/60/26/91/569602691.db2.gz IMPPAYPCLVLGIP-UHFFFAOYSA-N -1 0 464.587 5.091 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000032962033 569602747 /nfs/dbraw/zinc/60/27/47/569602747.db2.gz QLRRNJJKJOOXIF-UHFFFAOYSA-N -1 0 466.603 5.411 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962028 569602759 /nfs/dbraw/zinc/60/27/59/569602759.db2.gz XZZRJHNMYQJBEZ-UHFFFAOYSA-N -1 0 492.641 6.260 50 0 JKAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000032962044 569602891 /nfs/dbraw/zinc/60/28/91/569602891.db2.gz VGDDOQLKXXESJM-UHFFFAOYSA-N -1 0 499.032 5.607 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1N1CCCCCC1 ZINC000032962100 569602909 /nfs/dbraw/zinc/60/29/09/569602909.db2.gz WUCHGRFILBSOTG-UHFFFAOYSA-N -1 0 456.608 5.614 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000032962160 569603012 /nfs/dbraw/zinc/60/30/12/569603012.db2.gz CHOXIGBWVBYHCH-UHFFFAOYSA-N -1 0 470.566 5.440 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000032962162 569603014 /nfs/dbraw/zinc/60/30/14/569603014.db2.gz DPXIMXUUFBEEBP-UHFFFAOYSA-N -1 0 480.630 5.918 50 0 JKAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000032962271 569603070 /nfs/dbraw/zinc/60/30/70/569603070.db2.gz HXYBYGLUZPVFLR-UHFFFAOYSA-N -1 0 476.598 5.350 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cc1C ZINC000032971091 569603715 /nfs/dbraw/zinc/60/37/15/569603715.db2.gz QHXDKQOLJXZNPZ-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059478029 569604865 /nfs/dbraw/zinc/60/48/65/569604865.db2.gz UQWUMXVDXAFAAL-HZPDHXFCSA-N -1 0 461.008 6.072 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)Nc3ccc(F)cc3Cl)s2)cc1C ZINC000032999084 569613410 /nfs/dbraw/zinc/61/34/10/569613410.db2.gz VZSHMEHYVUVXEI-UHFFFAOYSA-N -1 0 452.960 5.139 50 0 JKAARM COc1ccccc1C(=O)Nc1ccc2nc(N3CCC(Cc4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010239 569616570 /nfs/dbraw/zinc/61/65/70/569616570.db2.gz MPAOGZACZMOPQN-UHFFFAOYSA-N -1 0 495.579 5.653 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(Cc4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010367 569616726 /nfs/dbraw/zinc/61/67/26/569616726.db2.gz VKVBIFAFGBAILU-UHFFFAOYSA-N -1 0 480.996 5.037 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)c1C ZINC000033010396 569616741 /nfs/dbraw/zinc/61/67/41/569616741.db2.gz UWSXGZKCEKBCTC-UHFFFAOYSA-N -1 0 480.568 5.129 50 0 JKAARM CC(C)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064557965 569618452 /nfs/dbraw/zinc/61/84/52/569618452.db2.gz FBYNLPMCLQHPKE-QFIPXVFZSA-N -1 0 467.974 5.795 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 ZINC000064558177 569618531 /nfs/dbraw/zinc/61/85/31/569618531.db2.gz LSAFGHRSXYYPJU-FQEVSTJZSA-N -1 0 484.371 5.089 50 0 JKAARM Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558188 569618558 /nfs/dbraw/zinc/61/85/58/569618558.db2.gz JHBOJYKRNZHQHW-NRFANRHFSA-N -1 0 498.398 5.397 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccccc1Cl ZINC000033169095 569621732 /nfs/dbraw/zinc/62/17/32/569621732.db2.gz NVILLSCLLFZMCW-UHFFFAOYSA-N -1 0 469.802 6.724 50 0 JKAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000033124039 569621635 /nfs/dbraw/zinc/62/16/35/569621635.db2.gz KAAZIORWPOTLLF-UHFFFAOYSA-N -1 0 471.991 5.684 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)c1NC(=O)C1CC1 ZINC000033306594 569622638 /nfs/dbraw/zinc/62/26/38/569622638.db2.gz DWYLOURHFRLLGP-CSKARUKUSA-N -1 0 463.968 5.018 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)c1NC(=O)C1CC1 ZINC000033306597 569622606 /nfs/dbraw/zinc/62/26/06/569622606.db2.gz UMPAGTNWLMSPFL-RMKNXTFCSA-N -1 0 477.995 5.326 50 0 JKAARM O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000033424083 569626206 /nfs/dbraw/zinc/62/62/06/569626206.db2.gz KMVICIVFHCMUJO-CIAFOILYSA-N -1 0 465.914 5.858 50 0 JKAARM COc1ccc(/C=C\C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1OC ZINC000033447981 569626446 /nfs/dbraw/zinc/62/64/46/569626446.db2.gz VVOZMHBSPMDSET-WMZJFQQLSA-N -1 0 488.359 5.545 50 0 JKAARM O=C([O-])c1ccccc1C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000033469652 569626788 /nfs/dbraw/zinc/62/67/88/569626788.db2.gz HFGXQPZPILEJNV-MXVWBRBISA-N -1 0 472.491 6.100 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000064774710 569627013 /nfs/dbraw/zinc/62/70/13/569627013.db2.gz DGOZXZWVMZKRQA-GOSISDBHSA-N -1 0 485.997 5.064 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000064774717 569627073 /nfs/dbraw/zinc/62/70/73/569627073.db2.gz VVUSBUSQCYZAFH-SFHVURJKSA-N -1 0 485.997 5.064 50 0 JKAARM CCCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC ZINC000064795318 569629936 /nfs/dbraw/zinc/62/99/36/569629936.db2.gz DUSWPZZVRJRKFG-KRWDZBQOSA-N -1 0 451.544 5.775 50 0 JKAARM CCCCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC ZINC000064795434 569630039 /nfs/dbraw/zinc/63/00/39/569630039.db2.gz GSTAAWAFXUZWKN-QGZVFWFLSA-N -1 0 451.544 5.775 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)ccc1OC ZINC000064795677 569630054 /nfs/dbraw/zinc/63/00/54/569630054.db2.gz APAGFDKXMXOUSU-HNNXBMFYSA-N -1 0 457.935 5.648 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OCC(C)C ZINC000064795359 569630056 /nfs/dbraw/zinc/63/00/56/569630056.db2.gz KLWPHLWQJYDSGO-KRWDZBQOSA-N -1 0 451.544 5.631 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064796037 569630171 /nfs/dbraw/zinc/63/01/71/569630171.db2.gz FXKIIKOJESYWLL-KRWDZBQOSA-N -1 0 451.544 5.693 50 0 JKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OCC ZINC000064796057 569630173 /nfs/dbraw/zinc/63/01/73/569630173.db2.gz IBSCLTSAFBGJHM-QGZVFWFLSA-N -1 0 451.544 5.693 50 0 JKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC ZINC000064796416 569630179 /nfs/dbraw/zinc/63/01/79/569630179.db2.gz ZBRFNVCLRDPTNJ-QGZVFWFLSA-N -1 0 469.534 5.914 50 0 JKAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1OC(C)C ZINC000064796548 569630188 /nfs/dbraw/zinc/63/01/88/569630188.db2.gz PYQRQXFSFCHGKV-INIZCTEOSA-N -1 0 455.507 5.522 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC)c(Br)c2)CC(=O)N3)cc1 ZINC000064797098 569630238 /nfs/dbraw/zinc/63/02/38/569630238.db2.gz YCLOBNQHEORKRS-CQSZACIVSA-N -1 0 488.359 5.367 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(Br)c2)CC(=O)N3)cc1 ZINC000064797031 569630274 /nfs/dbraw/zinc/63/02/74/569630274.db2.gz DHQAEBRDGIHBSP-OAHLLOKOSA-N -1 0 458.333 5.359 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(OC)c2OC(C)C)CC(=O)N3)cc1 ZINC000064797125 569630280 /nfs/dbraw/zinc/63/02/80/569630280.db2.gz KURKCZCYRNCAAL-KRWDZBQOSA-N -1 0 467.543 5.392 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(C)C ZINC000064797489 569630379 /nfs/dbraw/zinc/63/03/79/569630379.db2.gz WVZBHOHGFKREJO-KRWDZBQOSA-N -1 0 469.534 5.770 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)N3)cc1 ZINC000064797229 569630395 /nfs/dbraw/zinc/63/03/95/569630395.db2.gz JLDHFLNJSGVHEB-QGZVFWFLSA-N -1 0 467.543 5.392 50 0 JKAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nc(N2CCCC2)n1 ZINC000064802086 569631843 /nfs/dbraw/zinc/63/18/43/569631843.db2.gz DOKVAUWUJSMYQJ-UHFFFAOYSA-N -1 0 478.405 5.236 50 0 JKAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000064802056 569631888 /nfs/dbraw/zinc/63/18/88/569631888.db2.gz NUKFMLAQOSAJKQ-UHFFFAOYSA-N -1 0 452.367 5.068 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1Cl ZINC000064845696 569638548 /nfs/dbraw/zinc/63/85/48/569638548.db2.gz LABONYFTNGOXST-UHFFFAOYSA-N -1 0 456.973 5.108 50 0 JKAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1C ZINC000064845822 569638552 /nfs/dbraw/zinc/63/85/52/569638552.db2.gz FXUQRIPLOYUGAA-UHFFFAOYSA-N -1 0 455.399 5.509 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820696 569636122 /nfs/dbraw/zinc/63/61/22/569636122.db2.gz NWTNJEUOHXOBQJ-UHFFFAOYSA-N -1 0 453.336 5.426 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000064843396 569637938 /nfs/dbraw/zinc/63/79/38/569637938.db2.gz HRWGCPTUCNCKEP-UHFFFAOYSA-N -1 0 495.645 5.586 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000064843389 569637973 /nfs/dbraw/zinc/63/79/73/569637973.db2.gz CGUXGPXXVAAWGG-UHFFFAOYSA-N -1 0 467.591 5.004 50 0 JKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000065060318 569655404 /nfs/dbraw/zinc/65/54/04/569655404.db2.gz DCGQVFBHAYMPFU-UHFFFAOYSA-N -1 0 453.383 5.081 50 0 JKAARM COc1cc(OC)c(OC)cc1/C=C1/C[C@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000034877778 569668636 /nfs/dbraw/zinc/66/86/36/569668636.db2.gz LJSLOSKOJSRSPV-PNDHZVEESA-N -1 0 461.558 6.108 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000035397787 569688434 /nfs/dbraw/zinc/68/84/34/569688434.db2.gz RKIYYGXAZUBHHQ-UHFFFAOYSA-N -1 0 491.613 5.108 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000069383084 569692789 /nfs/dbraw/zinc/69/27/89/569692789.db2.gz YRKQQMWZFBYBBX-XMMPIXPASA-N -1 0 479.536 5.046 50 0 JKAARM CCCC(=O)Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422724 569692793 /nfs/dbraw/zinc/69/27/93/569692793.db2.gz MKQIRQIDQTWGOQ-UHFFFAOYSA-N -1 0 493.554 5.313 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000069777157 569693599 /nfs/dbraw/zinc/69/35/99/569693599.db2.gz DHKYVWUQUKMCMO-UHFFFAOYSA-N -1 0 471.365 6.200 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000069668900 569693681 /nfs/dbraw/zinc/69/36/81/569693681.db2.gz OSIWXMFRRFVDJY-UHFFFAOYSA-N -1 0 472.353 5.595 50 0 JKAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[C@]2(O)C(=O)[O-] ZINC000072332348 569702985 /nfs/dbraw/zinc/70/29/85/569702985.db2.gz BUTZQISUUIVKIG-LLGBQNBKSA-N -1 0 491.950 5.585 50 0 JKAARM Cc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cc5c(cc4cc3Cl)OCCO5)C2)c1 ZINC000079068636 569706854 /nfs/dbraw/zinc/70/68/54/569706854.db2.gz AACWVOQYAWHYNY-JOCHJYFZSA-N -1 0 478.932 5.115 50 0 JKAARM COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000035803032 569711289 /nfs/dbraw/zinc/71/12/89/569711289.db2.gz DPMQLOQXDNTHDW-UHFFFAOYSA-N -1 0 490.602 6.390 50 0 JKAARM Cc1ccccc1Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000035829440 569712854 /nfs/dbraw/zinc/71/28/54/569712854.db2.gz XOINUMOJHCUWDD-XYGWBWBKSA-N -1 0 496.542 5.018 50 0 JKAARM Cc1cccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4Cl)[n-]c3-c3ccccc3)C2=O)c1 ZINC000035829468 569712924 /nfs/dbraw/zinc/71/29/24/569712924.db2.gz WWGLPGCNHZXHEU-JCMHNJIXSA-N -1 0 484.943 5.300 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)c1C ZINC000035829446 569712938 /nfs/dbraw/zinc/71/29/38/569712938.db2.gz IDEWVVBJEKXUSK-HAHDFKILSA-N -1 0 482.515 5.094 50 0 JKAARM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035843189 569714293 /nfs/dbraw/zinc/71/42/93/569714293.db2.gz DIVYKISDVGEKFS-APSVEGKFSA-N -1 0 492.556 5.197 50 0 JKAARM [O-]c1c(Br)cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000095241506 569722182 /nfs/dbraw/zinc/72/21/82/569722182.db2.gz DZYXOQSNRAAMJH-UHFFFAOYSA-N -1 0 470.164 6.641 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095483666 569725156 /nfs/dbraw/zinc/72/51/56/569725156.db2.gz KGTCDSBYSHPIRU-VXNXHJTFSA-N -1 0 460.961 5.689 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000095532148 569725476 /nfs/dbraw/zinc/72/54/76/569725476.db2.gz WVSSRUDJYABJLP-HSZRJFAPSA-N -1 0 499.954 5.391 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749027 569728686 /nfs/dbraw/zinc/72/86/86/569728686.db2.gz QPJWCBIGYAOSPW-JOCHJYFZSA-N -1 0 471.431 5.120 50 0 JKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc(-c2ccccc2)cc1 ZINC000095750634 569728805 /nfs/dbraw/zinc/72/88/05/569728805.db2.gz BAFGGIURIPOBEL-XMMPIXPASA-N -1 0 477.560 6.136 50 0 JKAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095947953 569731199 /nfs/dbraw/zinc/73/11/99/569731199.db2.gz WYJNUXGOSSQZNI-UHFFFAOYSA-N -1 0 479.101 5.584 50 0 JKAARM CC[C@@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000035945331 569732657 /nfs/dbraw/zinc/73/26/57/569732657.db2.gz YAKZISFEDWCLJW-LJQANCHMSA-N -1 0 489.682 5.125 50 0 JKAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1OC(C)C ZINC000096115150 569734175 /nfs/dbraw/zinc/73/41/75/569734175.db2.gz YZXBTMHCCWNJNH-GOSISDBHSA-N -1 0 488.492 5.108 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115352 569734437 /nfs/dbraw/zinc/73/44/37/569734437.db2.gz FZBPITLPJSNAHH-LJQANCHMSA-N -1 0 467.477 5.114 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116166 569735012 /nfs/dbraw/zinc/73/50/12/569735012.db2.gz GDGIOGZCVXGDEB-QFIPXVFZSA-N -1 0 458.510 5.690 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116165 569735053 /nfs/dbraw/zinc/73/50/53/569735053.db2.gz GDGIOGZCVXGDEB-JOCHJYFZSA-N -1 0 458.510 5.690 50 0 biogenic JKAARM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116334 569735239 /nfs/dbraw/zinc/73/52/39/569735239.db2.gz NPFRSGNCODURBB-LJQANCHMSA-N -1 0 482.435 5.168 50 0 biogenic JKAARM O=c1oc2ccc(Cl)cc2c([O-])c1[C@H]1c2cc(Cl)ccc2Oc2c3ccccc3oc(=O)c21 ZINC000096191560 569737142 /nfs/dbraw/zinc/73/71/42/569737142.db2.gz NDCKKXYEJXSAAM-LJQANCHMSA-N -1 0 479.271 6.198 50 0 JKAARM CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCC(=O)[O-])[C@H]3c2ccc(OCC)cc2)cc1 ZINC000096401725 569740441 /nfs/dbraw/zinc/74/04/41/569740441.db2.gz XQWUBUDZIHUSKO-BXMYZSIXSA-N -1 0 476.573 5.472 50 0 JKAARM CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)CCC(=O)[O-] ZINC000096564009 569741291 /nfs/dbraw/zinc/74/12/91/569741291.db2.gz WAMNAMQLTKPRON-UHFFFAOYSA-N -1 0 474.538 5.610 50 0 JKAARM CC(=O)N(c1nc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cs1)c1ccc(F)cc1F ZINC000096794652 569743206 /nfs/dbraw/zinc/74/32/06/569743206.db2.gz TXMXKOQIMAXRCU-FPLPWBNLSA-N -1 0 451.454 5.523 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000100426005 569760220 /nfs/dbraw/zinc/76/02/20/569760220.db2.gz WOKLPIVXNLDIIP-GTYOFVGBSA-N -1 0 494.591 6.718 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100534651 569763853 /nfs/dbraw/zinc/76/38/53/569763853.db2.gz XYNZAHJBXLFUPO-UHFFFAOYSA-N -1 0 490.341 5.144 50 0 JKAARM O=C(C(=C([O-])c1cccs1)[C@@H](Nc1ccc2ccccc2c1)c1ccccc1)C(F)(F)F ZINC000100544153 569764169 /nfs/dbraw/zinc/76/41/69/569764169.db2.gz AANPADBWYJHSEW-YADHBBJMSA-N -1 0 453.485 6.685 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 ZINC000100721665 569767751 /nfs/dbraw/zinc/76/77/51/569767751.db2.gz JCMZHKDSHQCMEQ-SQHAQQRYSA-N -1 0 497.934 5.720 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2-c2ccccc2)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000100742143 569768456 /nfs/dbraw/zinc/76/84/56/569768456.db2.gz YHWLBIAXDWQCMA-UHSQPCAPSA-N -1 0 489.527 5.580 50 0 JKAARM CCCN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036357850 569772095 /nfs/dbraw/zinc/77/20/95/569772095.db2.gz DJRFJXGCOKROLB-XMMPIXPASA-N -1 0 466.946 5.152 50 0 JKAARM CCCN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036357849 569772159 /nfs/dbraw/zinc/77/21/59/569772159.db2.gz DJRFJXGCOKROLB-DEOSSOPVSA-N -1 0 466.946 5.152 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@]21C(=O)Nc2c1cccc2Cl ZINC000036360083 569772547 /nfs/dbraw/zinc/77/25/47/569772547.db2.gz AOTQKLHXECJONF-OAQYLSRUSA-N -1 0 459.310 5.001 50 0 JKAARM CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccccc1Cl)C(=O)N2C ZINC000036364834 569772709 /nfs/dbraw/zinc/77/27/09/569772709.db2.gz UKTOOLPMNROGPE-VWLOTQADSA-N -1 0 480.973 5.495 50 0 JKAARM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100949245 569777555 /nfs/dbraw/zinc/77/75/55/569777555.db2.gz JAKSDEKBLIRJKK-BDTNDASRSA-N -1 0 469.324 5.053 50 0 JKAARM CCCCCn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c([O-])c2ccccc21 ZINC000100957217 569777858 /nfs/dbraw/zinc/77/78/58/569777858.db2.gz KXPXDCCEKGYYPN-UHFFFAOYSA-N -1 0 486.391 5.522 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(F)cc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000101016732 569779480 /nfs/dbraw/zinc/77/94/80/569779480.db2.gz KOBJVIGHIKOPQD-JOCHJYFZSA-N -1 0 495.967 5.236 50 0 JKAARM CCCOc1c(Cl)cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000037133239 569781355 /nfs/dbraw/zinc/78/13/55/569781355.db2.gz KPCBQEWAZJMYEB-UHFFFAOYSA-N -1 0 480.995 5.252 50 0 JKAARM CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1OC ZINC000101142325 569784413 /nfs/dbraw/zinc/78/44/13/569784413.db2.gz TWAUFHMPHXIOKH-PFBJBMPXSA-N -1 0 486.568 5.234 50 0 JKAARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000101268566 569788601 /nfs/dbraw/zinc/78/86/01/569788601.db2.gz SNHNZCMOSVVRHT-ACSYHNTCSA-N -1 0 497.551 5.505 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000101494897 569799958 /nfs/dbraw/zinc/79/99/58/569799958.db2.gz SYHDNBWWCWWEDQ-LJQANCHMSA-N -1 0 453.589 5.475 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101495415 569800347 /nfs/dbraw/zinc/80/03/47/569800347.db2.gz GMOITWMBYZRVKJ-IBGZPJMESA-N -1 0 472.035 6.423 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(O)c3)C2)c([O-])[nH]c1=S ZINC000101495527 569800607 /nfs/dbraw/zinc/80/06/07/569800607.db2.gz OGXAMUPSHFMROQ-FQEVSTJZSA-N -1 0 483.615 5.484 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101495654 569800620 /nfs/dbraw/zinc/80/06/20/569800620.db2.gz ZDQCGHNVVRNFRT-LJQANCHMSA-N -1 0 481.986 5.304 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c([O-])[nH]c1=S ZINC000101495608 569800689 /nfs/dbraw/zinc/80/06/89/569800689.db2.gz DKNROGUCGISUGP-HSZRJFAPSA-N -1 0 487.650 6.923 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)cc1C ZINC000101501396 569800856 /nfs/dbraw/zinc/80/08/56/569800856.db2.gz ODPVTDUAEFMRCI-UHFFFAOYSA-N -1 0 450.539 5.337 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(F)cc1 ZINC000101501656 569800987 /nfs/dbraw/zinc/80/09/87/569800987.db2.gz PAJPEUCNXKIJMN-UHFFFAOYSA-N -1 0 456.930 5.374 50 0 JKAARM CCOc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(C)cc4)c3=O)nc2C)cc1 ZINC000101505705 569801139 /nfs/dbraw/zinc/80/11/39/569801139.db2.gz DEQBQVVJDRJVDF-UHFFFAOYSA-N -1 0 462.575 5.201 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)Nc1cccc(C)c1C ZINC000101505751 569801204 /nfs/dbraw/zinc/80/12/04/569801204.db2.gz YMJMCGPXFBTONH-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1Br ZINC000038528719 569802308 /nfs/dbraw/zinc/80/23/08/569802308.db2.gz YSSWSOALPZVFGM-OAQYLSRUSA-N -1 0 452.304 5.114 50 0 JKAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038529132 569802357 /nfs/dbraw/zinc/80/23/57/569802357.db2.gz JMBKBGOKNZZJQA-QHCPKHFHSA-N -1 0 482.577 5.016 50 0 JKAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=Nc3ccccc3S2)s1 ZINC000101766825 569805036 /nfs/dbraw/zinc/80/50/36/569805036.db2.gz SPBKRRCCUPSRDJ-QFIPXVFZSA-N -1 0 489.622 5.576 50 0 JKAARM CSc1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)c1 ZINC000101827885 569805363 /nfs/dbraw/zinc/80/53/63/569805363.db2.gz LCUNKMOPYDRIJX-UHFFFAOYSA-N -1 0 454.555 5.410 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1cccc(Cl)c1C ZINC000101831378 569805518 /nfs/dbraw/zinc/80/55/18/569805518.db2.gz TWYKWCFAKKSGGY-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1cc(Cl)ccc1C ZINC000101831283 569805536 /nfs/dbraw/zinc/80/55/36/569805536.db2.gz MBPJVEDEFKYZEF-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(Br)cc1 ZINC000101831304 569805550 /nfs/dbraw/zinc/80/55/50/569805550.db2.gz MZUXDAPBNCPCIS-UHFFFAOYSA-N -1 0 483.391 5.262 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)Nc1ccc(F)cc1 ZINC000101832574 569805678 /nfs/dbraw/zinc/80/56/78/569805678.db2.gz WNJYUFLLKNQYLJ-UHFFFAOYSA-N -1 0 456.930 5.287 50 0 JKAARM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102735742 569818599 /nfs/dbraw/zinc/81/85/99/569818599.db2.gz ILOGOOOAUQKWMJ-DNVJHFABSA-N -1 0 477.358 5.063 50 0 JKAARM CCCc1c(O)c(C(C)=O)ccc1OC/C=C/COc1cccc(Sc2ccccc2C(=O)[O-])c1 ZINC000043761420 569838483 /nfs/dbraw/zinc/83/84/83/569838483.db2.gz OTPNIYJXFLDVQY-VOTSOKGWSA-N -1 0 492.593 6.411 50 0 JKAARM CCCc1c(O)c(C(C)=O)ccc1OC/C=C/COc1ccc(Sc2ccc(C(=O)[O-])cc2)cc1 ZINC000043761419 569838503 /nfs/dbraw/zinc/83/85/03/569838503.db2.gz ZDKROPUQCFYYOX-SNAWJCMRSA-N -1 0 492.593 6.411 50 0 JKAARM CC1C(=O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@]2(C)[C@H]3C[C@@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@@]12C ZINC000044672337 569838776 /nfs/dbraw/zinc/83/87/76/569838776.db2.gz KQJSQWZMSAGSHN-QRGVSUATSA-N -1 0 450.619 6.698 50 0 JKAARM C[C@H](CCc1ccc(OCCCCOc2ccc(-c3ccc(F)cc3F)cc2)cc1)C(=O)[O-] ZINC000045068968 569839938 /nfs/dbraw/zinc/83/99/38/569839938.db2.gz ZFEWTSRQJVGNAL-LJQANCHMSA-N -1 0 454.513 6.523 50 0 JKAARM C[C@@H](CCc1ccc(OCCCCOc2ccc(-c3ccc(F)cc3F)cc2)cc1)C(=O)[O-] ZINC000045068965 569839982 /nfs/dbraw/zinc/83/99/82/569839982.db2.gz ZFEWTSRQJVGNAL-IBGZPJMESA-N -1 0 454.513 6.523 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000104082650 569840549 /nfs/dbraw/zinc/84/05/49/569840549.db2.gz UTCYFHTZJRINDC-OLILMLBXSA-N -1 0 484.527 6.241 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccccc4Cl)CCC[C@H]3[C@@H]2c2ccccc2Cl)sc1C(=O)[O-] ZINC000051330196 569851852 /nfs/dbraw/zinc/85/18/52/569851852.db2.gz ONUOOOBDZQOZPY-KHCBBPPGSA-N -1 0 498.435 7.258 50 0 JKAARM Cc1noc(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000113624125 569861975 /nfs/dbraw/zinc/86/19/75/569861975.db2.gz GQBRZBHEPUQRPL-LJQANCHMSA-N -1 0 482.536 6.743 50 0 in-vitro JKAARM C[C@H](NC(=O)c1c(C(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)c1ccc(C(=O)[O-])cc1 ZINC000114766778 569862783 /nfs/dbraw/zinc/86/27/83/569862783.db2.gz MKLKAQMPKHNQPR-NSHDSACASA-N -1 0 483.393 5.358 50 0 in-vitro JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000136283580 569864596 /nfs/dbraw/zinc/86/45/96/569864596.db2.gz DXAKBAZQJKEEPE-PWRODBHTSA-N -1 0 483.749 5.154 50 0 JKAARM CCCCCCCCCCN(C(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000136664936 569864788 /nfs/dbraw/zinc/86/47/88/569864788.db2.gz JNPPTVCXSIETHL-UHFFFAOYSA-N -1 0 499.520 5.625 50 0 JKAARM CCCCCCCCCCCCCCCCN(C(=O)c1ccco1)C(=O)c1ccccc1C(=O)[O-] ZINC000137064479 569864878 /nfs/dbraw/zinc/86/48/78/569864878.db2.gz UNJFCVUXSRKIJT-UHFFFAOYSA-N -1 0 483.649 7.742 50 0 JKAARM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137643003 569865098 /nfs/dbraw/zinc/86/50/98/569865098.db2.gz RHKJBKFWHYYCKC-OYUWMTPXSA-N -1 0 486.568 5.315 50 0 JKAARM CCCOc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226919430 570039288 /nfs/dbraw/zinc/03/92/88/570039288.db2.gz MMWXNOTWBPHFDY-OYUWMTPXSA-N -1 0 486.568 5.234 50 0 JKAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000239297016 570050303 /nfs/dbraw/zinc/05/03/03/570050303.db2.gz DOMKDVRQFVLOLZ-TTZMFTMZSA-N -1 0 491.381 5.255 50 0 JKAARM CCOc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239338967 570050985 /nfs/dbraw/zinc/05/09/85/570050985.db2.gz LMVBGQWMUPPPGU-CKIYMEHHSA-N -1 0 490.559 5.458 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@@H]2CC4)c1 ZINC000239347306 570051192 /nfs/dbraw/zinc/05/11/92/570051192.db2.gz MRRXYEYSIFOGFP-MOMPHSKHSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1 ZINC000239432939 570052098 /nfs/dbraw/zinc/05/20/98/570052098.db2.gz WYEYBWIORLZCAK-UWPQIUOOSA-N -1 0 464.496 5.199 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000245226251 570055026 /nfs/dbraw/zinc/05/50/26/570055026.db2.gz MEQKVXZWXDEHLB-CWFSZBLJSA-N -1 0 472.994 5.373 50 0 JKAARM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000245239795 570057893 /nfs/dbraw/zinc/05/78/93/570057893.db2.gz DIVYKISDVGEKFS-JLMYGFKKSA-N -1 0 492.556 5.197 50 0 JKAARM COc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000245242238 570058803 /nfs/dbraw/zinc/05/88/03/570058803.db2.gz PAOUSIQTYVKBIL-HRHHFINDSA-N -1 0 476.532 5.068 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000245255910 570060274 /nfs/dbraw/zinc/06/02/74/570060274.db2.gz MIJYXULNPSFWEK-WAGRMYNLSA-N -1 0 456.711 7.234 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 ZINC000245310107 570063186 /nfs/dbraw/zinc/06/31/86/570063186.db2.gz HVEBVCCBSCCNLB-WXFUMESZSA-N -1 0 496.485 5.545 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C2=O)cc1 ZINC000245311076 570063362 /nfs/dbraw/zinc/06/33/62/570063362.db2.gz MBIOULGFXPJTOP-UBFVSLLYSA-N -1 0 474.582 5.248 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000245312886 570063931 /nfs/dbraw/zinc/06/39/31/570063931.db2.gz YLBGUIGLMBCHGJ-TWJOJJKGSA-N -1 0 456.542 5.143 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCCCCCCCCCCC[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] ZINC000247386999 570067960 /nfs/dbraw/zinc/06/79/60/570067960.db2.gz KKFVLVJTNDFPHI-YCAMKHIRSA-N -1 0 480.690 5.128 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000247386979 570068030 /nfs/dbraw/zinc/06/80/30/570068030.db2.gz KKFVLVJTNDFPHI-XQUALCHDSA-N -1 0 480.690 5.128 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000248257493 570076895 /nfs/dbraw/zinc/07/68/95/570076895.db2.gz LGTRHQZPAVTYED-SODQHWRNSA-N -1 0 480.564 5.258 50 0 JKAARM CC(=O)O[C@@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@@H]2C(=O)[O-])C(=O)C1 ZINC000248295689 570077445 /nfs/dbraw/zinc/07/74/45/570077445.db2.gz XAJFPZPUIZSONS-FATMNAQCSA-N -1 0 462.671 6.283 50 0 JKAARM Cc1ccc2c(c1)NC(C)(C)c1ssc(=Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c1-2 ZINC000252673319 570092972 /nfs/dbraw/zinc/09/29/72/570092972.db2.gz QZJOPTKIWBQOPS-UHFFFAOYSA-N -1 0 495.655 5.269 50 0 JKAARM Cc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000252695130 570095040 /nfs/dbraw/zinc/09/50/40/570095040.db2.gz VLDWDGLLVZSXND-KESTWPANSA-N -1 0 487.552 5.373 50 0 biogenic JKAARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000253403410 570096814 /nfs/dbraw/zinc/09/68/14/570096814.db2.gz HDUIRSKQILPXNF-NRFANRHFSA-N -1 0 492.483 6.168 50 0 biogenic JKAARM O=C1C[C@H](C2=Cc3ccccc3OC2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253403042 570096888 /nfs/dbraw/zinc/09/68/88/570096888.db2.gz GWSKIJJDNWRUHG-GOSISDBHSA-N -1 0 472.880 5.688 50 0 biogenic JKAARM O=C1C[C@H](c2ccc3c(c2)OCCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253410173 570097502 /nfs/dbraw/zinc/09/75/02/570097502.db2.gz MXHMSSXPBFHUFL-MRXNPFEDSA-N -1 0 476.868 5.031 50 0 biogenic JKAARM COc1ccccc1[C@@H](CC(=O)N1CCCCC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000253413235 570098234 /nfs/dbraw/zinc/09/82/34/570098234.db2.gz UERLFXSLDYZDOE-OAQYLSRUSA-N -1 0 499.563 5.414 50 0 biogenic JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497600 570100329 /nfs/dbraw/zinc/10/03/29/570100329.db2.gz WLNARFZDISHUGS-AJQZVMMZSA-N -1 0 486.737 7.804 50 0 biogenic JKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C ZINC000257347121 570152050 /nfs/dbraw/zinc/15/20/50/570152050.db2.gz UUJIBKBLRCGCFZ-KDQSSOSZSA-N -1 0 496.688 6.343 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257348193 570152379 /nfs/dbraw/zinc/15/23/79/570152379.db2.gz CBBTWAWCVXJVTL-FKKBDONISA-N -1 0 468.744 7.296 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OCC(=O)[O-] ZINC000257348496 570152473 /nfs/dbraw/zinc/15/24/73/570152473.db2.gz GFIJGEUKERLGTC-JSLNBRJHSA-N -1 0 460.699 6.468 50 0 JKAARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCC(=O)[O-])[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000257358976 570153806 /nfs/dbraw/zinc/15/38/06/570153806.db2.gz XSDQBBRWWRPKEO-ICLDGLHRSA-N -1 0 476.654 5.620 50 0 JKAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4C2=Cc3ccccc3OC2)cc1OC ZINC000263586513 570171801 /nfs/dbraw/zinc/17/18/01/570171801.db2.gz VDJSOVMZKIXPMQ-SFHVURJKSA-N -1 0 498.487 5.052 50 0 biogenic JKAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1cc(C(F)(F)F)ccc1S[C@@H](c1ccc3nccnc3c1)C2 ZINC000299784942 570176633 /nfs/dbraw/zinc/17/66/33/570176633.db2.gz PVOHWVRYVOEVLE-OAQYLSRUSA-N -1 0 483.471 5.196 50 0 JKAARM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000301364321 570178097 /nfs/dbraw/zinc/17/80/97/570178097.db2.gz RIRJEFBSBILBIF-RUZDIDTESA-N -1 0 484.577 5.460 50 0 JKAARM COc1cccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000328597079 570178969 /nfs/dbraw/zinc/17/89/69/570178969.db2.gz DGUNWZOCFUZOSE-HXUWFJFHSA-N -1 0 465.937 5.138 50 0 JKAARM O=P([O-])([O-])[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000328593240 570179023 /nfs/dbraw/zinc/17/90/23/570179023.db2.gz WDJPLTCDNFVQOH-JOCHJYFZSA-N -1 0 467.836 5.206 50 0 JKAARM COc1cccc2cc([C@@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000328597468 570179175 /nfs/dbraw/zinc/17/91/75/570179175.db2.gz HPAQFCRSNXXXCU-IBGZPJMESA-N -1 0 486.355 5.483 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100783640 571840240 /nfs/dbraw/zinc/84/02/40/571840240.db2.gz LLLYZDPEYDHSHM-YDWHAKFJSA-N -1 0 470.694 6.413 50 0 endogenous,in-man JKAARM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 ZINC000098044023 574417195 /nfs/dbraw/zinc/41/71/95/574417195.db2.gz XLPAINGDLCDYQV-HWTLPYPISA-N -1 0 454.695 7.752 50 0 endogenous,in-man JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031163334 291568541 /nfs/dbraw/zinc/56/85/41/291568541.db2.gz XJMYUPJDAFKICJ-HVPFRSNYSA-N -1 0 488.709 5.175 50 0 biogenic,in-vitro JKAARM CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001024699 194004825 /nfs/dbraw/zinc/00/48/25/194004825.db2.gz BWQDQUNPPOVYQA-UHFFFAOYSA-N -1 0 493.006 5.194 50 0 JKAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001027046 194005246 /nfs/dbraw/zinc/00/52/46/194005246.db2.gz SAXLACFYDTTZAD-UHFFFAOYSA-N -1 0 491.896 5.800 50 0 JKAARM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1cc(Cl)sc1Cl ZINC000001029974 194005504 /nfs/dbraw/zinc/00/55/04/194005504.db2.gz PEUFJSACGFQNKD-UHFFFAOYSA-N -1 0 455.104 5.637 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cscc3-c3ccccc3)cc2)n1 ZINC000001033523 194006676 /nfs/dbraw/zinc/00/66/76/194006676.db2.gz SDGNMXKIUHCEII-UHFFFAOYSA-N -1 0 479.587 5.267 50 0 JKAARM Cc1ccc(-n2cc(-c3cccs3)nc2SCc2n[n-]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000001036506 194007199 /nfs/dbraw/zinc/00/71/99/194007199.db2.gz UOOZPOVBKGMJKP-UHFFFAOYSA-N -1 0 479.631 6.584 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2Cl)cc1OC ZINC000001040728 194008173 /nfs/dbraw/zinc/00/81/73/194008173.db2.gz YPBMBIJWYMAVLS-UHFFFAOYSA-N -1 0 454.331 5.604 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1c(F)cccc1Cl ZINC000001044709 194008446 /nfs/dbraw/zinc/00/84/46/194008446.db2.gz NHQWERZFLDAPAI-UHFFFAOYSA-N -1 0 473.740 5.839 50 0 JKAARM Cc1c(C(=O)[O-])cc(-c2ccccc2)n1CCSc1cc(C(F)(F)F)nc2ccccc21 ZINC000001046823 194008745 /nfs/dbraw/zinc/00/87/45/194008745.db2.gz IPSLEBZMAZMAPE-UHFFFAOYSA-N -1 0 456.489 6.521 50 0 JKAARM Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21 ZINC000001065166 194013768 /nfs/dbraw/zinc/01/37/68/194013768.db2.gz GTIMHWQAGLUSOG-INIZCTEOSA-N -1 0 452.190 5.222 50 0 JKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c1 ZINC000001066358 194014491 /nfs/dbraw/zinc/01/44/91/194014491.db2.gz NPKBKRGEJCNASL-UHFFFAOYSA-N -1 0 497.060 5.853 50 0 JKAARM CC[C@H](C)c1ccc([C@H](CC)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001118667 194031866 /nfs/dbraw/zinc/03/18/66/194031866.db2.gz HOWHWLVGOWOWGV-JTSKRJEESA-N -1 0 483.663 5.229 50 0 JKAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000001119565 194032666 /nfs/dbraw/zinc/03/26/66/194032666.db2.gz XRDYYYOOSUERRE-UHFFFAOYSA-N -1 0 491.805 5.248 50 0 JKAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCCCC2)c1 ZINC000001123161 194034892 /nfs/dbraw/zinc/03/48/92/194034892.db2.gz ZZXZIHFVLGWKTF-VXKWHMMOSA-N -1 0 463.578 5.067 50 0 JKAARM O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000001123707 194035225 /nfs/dbraw/zinc/03/52/25/194035225.db2.gz GJHRTBDDFJWFJX-VMPITWQZSA-N -1 0 484.331 5.082 50 0 JKAARM Cc1ccccc1N1C(=O)[N-]C(=O)[C@@](CCc2ccccn2)(Cc2c(Cl)cccc2Cl)C1=O ZINC000001128944 194038048 /nfs/dbraw/zinc/03/80/48/194038048.db2.gz AYGFEUPBGIRWGP-RUZDIDTESA-N -1 0 482.367 5.142 50 0 JKAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c3ccccc3n2)cc1 ZINC000001114745 194028940 /nfs/dbraw/zinc/02/89/40/194028940.db2.gz YDWYMPLCOUYNKF-UHFFFAOYSA-N -1 0 495.564 5.053 50 0 JKAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001150636 194050459 /nfs/dbraw/zinc/05/04/59/194050459.db2.gz ACZBSOWLWWVNNW-UHFFFAOYSA-N -1 0 481.357 5.064 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000001184504 194063775 /nfs/dbraw/zinc/06/37/75/194063775.db2.gz JUSNHPOIXFOUFX-UHFFFAOYSA-N -1 0 473.327 5.076 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001212743 194071782 /nfs/dbraw/zinc/07/17/82/194071782.db2.gz PSYRZWTXUIGPEN-UHFFFAOYSA-N -1 0 465.756 5.156 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001215450 194072786 /nfs/dbraw/zinc/07/27/86/194072786.db2.gz KQFBBGKLBVZGAK-UHFFFAOYSA-N -1 0 452.923 5.030 50 0 JKAARM COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000001296337 194082118 /nfs/dbraw/zinc/08/21/18/194082118.db2.gz ZDHJQRYQPJQATA-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001388545 194113903 /nfs/dbraw/zinc/11/39/03/194113903.db2.gz WVEWKKTUKFUUQT-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001391915 194114348 /nfs/dbraw/zinc/11/43/48/194114348.db2.gz DLBKZQRPRWTIGH-UHFFFAOYSA-N -1 0 490.412 5.818 50 0 aggregator JKAARM Cc1ccc(-c2nn(C(C)(C)C)c3ncnc([N-]S(=O)(=O)c4ccc(Cl)cc4)c23)cc1 ZINC000001404525 194115703 /nfs/dbraw/zinc/11/57/03/194115703.db2.gz HJUGAKRHEREMPP-UHFFFAOYSA-N -1 0 455.971 5.011 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccccc2F)cc1 ZINC000001409030 194116360 /nfs/dbraw/zinc/11/63/60/194116360.db2.gz FONMMFZSDPCAHI-WRGVRERRSA-N -1 0 498.554 6.549 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001408985 194116413 /nfs/dbraw/zinc/11/64/13/194116413.db2.gz YKLYNOHWRPFQOH-XBBWARJSSA-N -1 0 484.527 6.241 50 0 JKAARM O=C(Nc1cccc2ccccc21)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000001516380 194127370 /nfs/dbraw/zinc/12/73/70/194127370.db2.gz GYNHAFJSKWWGIL-UHFFFAOYSA-N -1 0 452.535 6.046 50 0 JKAARM O=C(Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1Cl)c1cc(Cl)cc(Cl)c1[O-] ZINC000001813822 194145185 /nfs/dbraw/zinc/14/51/85/194145185.db2.gz VSNGHNOLUXGRNF-UHFFFAOYSA-N -1 0 493.173 8.204 50 0 JKAARM O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000001895087 194153370 /nfs/dbraw/zinc/15/33/70/194153370.db2.gz KTBDYEIBOIKPMY-UHFFFAOYSA-N -1 0 458.728 7.550 50 0 JKAARM CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000002932592 194173611 /nfs/dbraw/zinc/17/36/11/194173611.db2.gz POGCDQMDUOSOKA-UHFFFAOYSA-N -1 0 493.610 5.059 50 0 JKAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)N[C@@H]4CCCC[C@H]4C)cc3)c(=O)c2cc1OCC ZINC000003010226 194203646 /nfs/dbraw/zinc/20/36/46/194203646.db2.gz QSZALDLUHGOTMI-DYESRHJHSA-N -1 0 495.645 5.213 50 0 JKAARM COc1ccc(CN(CC2CCC(C(=O)[O-])CC2)C(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003036022 194214029 /nfs/dbraw/zinc/21/40/29/194214029.db2.gz UWOJQANBRFCVCC-UHFFFAOYSA-N -1 0 461.027 5.747 50 0 JKAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2ccccc2Cl)cc1OC ZINC000003036487 194214224 /nfs/dbraw/zinc/21/42/24/194214224.db2.gz JDIRPZNVUQIIHZ-UHFFFAOYSA-N -1 0 470.978 5.455 50 0 JKAARM O=C([O-])C1CCC(CN(Cc2cccc(Br)c2)C(=S)Nc2ccccc2F)CC1 ZINC000003036513 194214231 /nfs/dbraw/zinc/21/42/31/194214231.db2.gz NORBLBBULLLVBH-UHFFFAOYSA-N -1 0 479.415 5.678 50 0 JKAARM Cc1ccccc1NC(=S)N(Cc1cccc(Br)c1)CC1CCC(C(=O)[O-])CC1 ZINC000003036507 194214237 /nfs/dbraw/zinc/21/42/37/194214237.db2.gz JWMFMEXDVPKVDP-UHFFFAOYSA-N -1 0 475.452 5.848 50 0 JKAARM O=C([O-])C1CCC(CN(Cc2ccc(Cl)cc2)C(=S)Nc2ccccc2Cl)CC1 ZINC000003037308 194214239 /nfs/dbraw/zinc/21/42/39/194214239.db2.gz JDBDDNUVCHFVOX-UHFFFAOYSA-N -1 0 451.419 6.083 50 0 JKAARM O=C([O-])c1ccc(CN(Cc2ccc(Br)cc2)C(=S)Nc2ccccc2F)cc1 ZINC000003037327 194214261 /nfs/dbraw/zinc/21/42/61/194214261.db2.gz VOAVSLPZAPHTMK-UHFFFAOYSA-N -1 0 473.367 5.686 50 0 JKAARM O=C([O-])C1CCC(CN(Cc2cccc(Br)c2)C(=S)Nc2ccccc2Cl)CC1 ZINC000003036514 194214293 /nfs/dbraw/zinc/21/42/93/194214293.db2.gz YOWRIBRAHUKTBN-UHFFFAOYSA-N -1 0 495.870 6.193 50 0 JKAARM CCc1cccc(C)c1NC(=S)N(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(OC)c(OC)c1 ZINC000003036476 194214316 /nfs/dbraw/zinc/21/43/16/194214316.db2.gz JNOFEKILAIHSMY-UHFFFAOYSA-N -1 0 478.614 5.672 50 0 JKAARM CC(C)(C)Oc1c(Br)c(Br)c([O-])c(Br)c1Br ZINC000003121818 194228540 /nfs/dbraw/zinc/22/85/40/194228540.db2.gz DMZXQEODVUWLQX-UHFFFAOYSA-N -1 0 481.804 5.620 50 0 JKAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1c(F)c(Br)cc(F)c1Br ZINC000003134052 194230051 /nfs/dbraw/zinc/23/00/51/194230051.db2.gz KNTDLHSVICIWAG-UHFFFAOYSA-N -1 0 495.061 5.309 50 0 JKAARM Cc1nc2c(cc(C)c(C)c2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1Cc1cccc(C)c1 ZINC000003133393 194230100 /nfs/dbraw/zinc/23/01/00/194230100.db2.gz KNTDEYHTOWFBSR-UHFFFAOYSA-N -1 0 475.658 6.417 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1c2ccccc2CCc2ccccc21 ZINC000003172973 194234337 /nfs/dbraw/zinc/23/43/37/194234337.db2.gz FEBCVHVPARBEOL-UHFFFAOYSA-N -1 0 488.996 6.218 50 0 JKAARM O=C(Nc1cccc(Br)c1)c1ccc(OC(=S)[N-]c2ccc3ccccc3c2)cc1 ZINC000003112499 194226984 /nfs/dbraw/zinc/22/69/84/194226984.db2.gz WOMZZMOMUVPCRE-UHFFFAOYSA-N -1 0 477.383 6.630 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Br)cc1 ZINC000003220607 194242267 /nfs/dbraw/zinc/24/22/67/194242267.db2.gz WGCYQTVBVPZXHM-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000003222205 194242909 /nfs/dbraw/zinc/24/29/09/194242909.db2.gz GSPPBEFZWIDKQE-UHFFFAOYSA-N -1 0 483.391 5.499 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccs3)c3cccs3)cc2)nc(C)n1 ZINC000003241504 194248480 /nfs/dbraw/zinc/24/84/80/194248480.db2.gz LJYLCLZKDCLTAA-XSFVSMFZSA-N -1 0 496.639 5.197 50 0 JKAARM Cc1oc2c(cc([N-]S(=O)(=O)c3cccs3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000003254733 194252861 /nfs/dbraw/zinc/25/28/61/194252861.db2.gz BUNFCOPVUUIKTG-UHFFFAOYSA-N -1 0 477.563 6.114 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000003267842 194257182 /nfs/dbraw/zinc/25/71/82/194257182.db2.gz VKZALPFYJRABCZ-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000003271774 194258586 /nfs/dbraw/zinc/25/85/86/194258586.db2.gz KDEXVBKIXSIGNZ-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000003283106 194262896 /nfs/dbraw/zinc/26/28/96/194262896.db2.gz IXYCHVVAXSORBD-UHFFFAOYSA-N -1 0 484.537 5.099 50 0 JKAARM O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)Nc1ccc(C(=O)[O-])cc1 ZINC000003308070 194275530 /nfs/dbraw/zinc/27/55/30/194275530.db2.gz WBNVRLJYZZLWQA-SAPNQHFASA-N -1 0 459.505 6.043 50 0 JKAARM Cc1ccc(-c2cc(-c3nnc(SCC(=O)[O-])n3-c3ccccc3)c3ccccc3n2)cc1 ZINC000003311571 194276851 /nfs/dbraw/zinc/27/68/51/194276851.db2.gz KQWYIOKUZFDXCP-UHFFFAOYSA-N -1 0 452.539 5.635 50 0 JKAARM Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)N1C=C(Cl)C=C(Cl)C1=N2 ZINC000003293411 194268585 /nfs/dbraw/zinc/26/85/85/194268585.db2.gz VOMXZOJPVVRUSP-NRFANRHFSA-N -1 0 465.340 5.839 50 0 JKAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003328423 194284251 /nfs/dbraw/zinc/28/42/51/194284251.db2.gz YXOAGQFXVGQDCJ-UHFFFAOYSA-N -1 0 460.968 5.288 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000003328302 194284278 /nfs/dbraw/zinc/28/42/78/194284278.db2.gz SGPCQXULPOZXMF-UHFFFAOYSA-N -1 0 458.952 5.092 50 0 JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003328247 194284302 /nfs/dbraw/zinc/28/43/02/194284302.db2.gz HMQKEMGPYPELRK-UHFFFAOYSA-N -1 0 465.387 5.851 50 0 JKAARM O=C(c1cnn(C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1)c1ccccc1[O-] ZINC000003348810 194295174 /nfs/dbraw/zinc/29/51/74/194295174.db2.gz MWAYOPFDXIHKNG-UHFFFAOYSA-N -1 0 471.563 5.410 50 0 JKAARM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc2)o1 ZINC000003412174 194315984 /nfs/dbraw/zinc/31/59/84/194315984.db2.gz VIMDCIYKDCIBQX-UHFFFAOYSA-N -1 0 459.376 5.029 50 0 JKAARM O=C([O-])COc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 ZINC000003431348 194322388 /nfs/dbraw/zinc/32/23/88/194322388.db2.gz VJXHUIFPJVAODQ-UHFFFAOYSA-N -1 0 485.323 5.118 50 0 JKAARM O=C([O-])c1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1 ZINC000003503830 194333762 /nfs/dbraw/zinc/33/37/62/194333762.db2.gz OVBPIKLUWLDMNR-UHFFFAOYSA-N -1 0 455.297 5.352 50 0 JKAARM COC(=O)[C@@]([N-]c1cccc(C)c1Cl)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003619695 194341729 /nfs/dbraw/zinc/34/17/29/194341729.db2.gz GXTXXLGHRWRHOC-QGZVFWFLSA-N -1 0 499.795 5.212 50 0 JKAARM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1OC ZINC000003623969 194342712 /nfs/dbraw/zinc/34/27/12/194342712.db2.gz VYBYXLNKXZETSS-UHFFFAOYSA-N -1 0 462.321 5.167 50 0 JKAARM O=C([O-])c1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000003765124 194359915 /nfs/dbraw/zinc/35/99/15/194359915.db2.gz LEFWABNJQKEMQJ-RPOCDWGESA-N -1 0 491.341 5.113 50 0 JKAARM CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000003798537 194361555 /nfs/dbraw/zinc/36/15/55/194361555.db2.gz FAEKWTJYAYMJKF-QHCPKHFHSA-N -1 0 452.595 5.220 50 0 fda JKAARM O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000003864983 194365157 /nfs/dbraw/zinc/36/51/57/194365157.db2.gz RFWWAGZRHAUCRO-SFHVURJKSA-N -1 0 494.183 5.144 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003881983 194366487 /nfs/dbraw/zinc/36/64/87/194366487.db2.gz MIJYXULNPSFWEK-KDQGZELNSA-N -1 0 456.711 7.234 50 0 endogenous,in-man JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003881982 194366499 /nfs/dbraw/zinc/36/64/99/194366499.db2.gz MIJYXULNPSFWEK-OBAJORKRSA-N -1 0 456.711 7.234 50 0 biogenic JKAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)N32)cc1 ZINC000003882119 194366655 /nfs/dbraw/zinc/36/66/55/194366655.db2.gz USWCTGIYKDAKAX-AZGAKELHSA-N -1 0 479.536 5.472 50 0 biogenic JKAARM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)c(F)c3)nc2c1 ZINC000003959835 194367735 /nfs/dbraw/zinc/36/77/35/194367735.db2.gz LKBXWNYXDMSFQU-ONNFQVAWSA-N -1 0 495.304 5.675 50 0 in-vitro JKAARM COc1cccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003991850 194367993 /nfs/dbraw/zinc/36/79/93/194367993.db2.gz XQIXMPYCBDWVSA-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM CC/C(=C/C=C/[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@H](C)C(=O)[O-])CC[C@@H]1C ZINC000004016150 194369786 /nfs/dbraw/zinc/36/97/86/194369786.db2.gz HSZFOQSMGNAIJM-WKIUOYFUSA-N -1 0 465.634 6.213 50 0 JKAARM Cc1cc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000004020659 194370572 /nfs/dbraw/zinc/37/05/72/194370572.db2.gz DGSMQHHNOFLGPO-QHCPKHFHSA-N -1 0 485.385 6.276 50 0 JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004645962 194393285 /nfs/dbraw/zinc/39/32/85/194393285.db2.gz TYTPLVSEPJBTMP-XMMPIXPASA-N -1 0 498.608 5.842 50 0 JKAARM Cc1nc2c(oc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c(-c2ccccc2)c1C(=O)[O-] ZINC000006428141 194425983 /nfs/dbraw/zinc/42/59/83/194425983.db2.gz YGXQYDSKEMQEKG-UHFFFAOYSA-N -1 0 454.482 6.161 50 0 JKAARM O=c1c(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([O-])c2c(n1-c1ccccc1)CCCC2 ZINC000008384820 194438338 /nfs/dbraw/zinc/43/83/38/194438338.db2.gz XLULDTGMGWSUHY-UHFFFAOYSA-N -1 0 484.788 5.215 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000009215780 194601591 /nfs/dbraw/zinc/60/15/91/194601591.db2.gz HPKHBHSSRDMCPQ-CYFREDJKSA-N -1 0 464.905 5.298 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000009287711 194662540 /nfs/dbraw/zinc/66/25/40/194662540.db2.gz RODNLFBPOWAIJX-UHFFFAOYSA-N -1 0 487.339 5.742 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Cl)ccc2OCc2ccccc2F)ccc1N1CCOCC1 ZINC000009892681 195016581 /nfs/dbraw/zinc/01/65/81/195016581.db2.gz LDOURAJVMWCQEI-UHFFFAOYSA-N -1 0 470.928 5.205 50 0 JKAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000009906119 195017739 /nfs/dbraw/zinc/01/77/39/195017739.db2.gz GSVVTQYTTPICOH-UHFFFAOYSA-N -1 0 496.991 5.465 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Br)ccc2OCc2ccccc2)ccc1N1CCOCC1 ZINC000009906121 195017823 /nfs/dbraw/zinc/01/78/23/195017823.db2.gz OMXVLXUJVZJTFD-UHFFFAOYSA-N -1 0 497.389 5.175 50 0 JKAARM O=c1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000012791933 195132801 /nfs/dbraw/zinc/13/28/01/195132801.db2.gz ZQYQLZDNTPTFBK-ZDUSSCGKSA-N -1 0 492.051 5.452 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012799943 195138590 /nfs/dbraw/zinc/13/85/90/195138590.db2.gz VICPPYXYNIRYTI-UHFFFAOYSA-N -1 0 483.804 5.937 50 0 JKAARM CC(=O)N(c1nc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cs1)c1cccc(Cl)c1 ZINC000012818386 195148050 /nfs/dbraw/zinc/14/80/50/195148050.db2.gz MAVXKNIKDWRTOK-NTEUORMPSA-N -1 0 469.975 6.106 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000012890900 195172841 /nfs/dbraw/zinc/17/28/41/195172841.db2.gz WCGUUGGRBIKTOS-KKAMHNSOSA-N -1 0 456.711 7.090 50 0 biogenic JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000012890906 195172901 /nfs/dbraw/zinc/17/29/01/195172901.db2.gz WCGUUGGRBIKTOS-XHINXETDSA-N -1 0 456.711 7.090 50 0 biogenic,in-vivo JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1 ZINC000012865760 195161232 /nfs/dbraw/zinc/16/12/32/195161232.db2.gz ZYLVRGFGWVPING-PTNGSMBKSA-N -1 0 479.363 6.876 50 0 JKAARM O=C([O-])c1cccc(-n2c(=O)c3ccc(Cl)cc3nc2/C=C/c2ccc(OC(F)F)cc2)c1 ZINC000020662661 195196471 /nfs/dbraw/zinc/19/64/71/195196471.db2.gz BWPUAZZASFGPLM-IZZDOVSWSA-N -1 0 468.843 5.509 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000020896747 195240051 /nfs/dbraw/zinc/24/00/51/195240051.db2.gz ZKJUWCQHXBTWGC-UHFFFAOYSA-N -1 0 482.492 5.978 50 0 JKAARM CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000021151886 195283340 /nfs/dbraw/zinc/28/33/40/195283340.db2.gz CGFQEFSGQQKXRL-UHFFFAOYSA-N -1 0 468.629 5.106 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(F)cc1F ZINC000021357466 195297916 /nfs/dbraw/zinc/29/79/16/195297916.db2.gz STAMCNWQYQQMAK-UHFFFAOYSA-N -1 0 489.547 5.890 50 0 JKAARM Cc1nc2ccccc2c(-c2ccccc2)c1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000058196762 195373002 /nfs/dbraw/zinc/37/30/02/195373002.db2.gz WHYAFMXMYDTGGN-RUZDIDTESA-N -1 0 463.537 5.753 50 0 JKAARM O=C([O-])[C@H](CCc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095749167 129921115 /nfs/dbraw/zinc/92/11/15/129921115.db2.gz WSAZRJANUJZPLG-QHCPKHFHSA-N -1 0 469.459 5.630 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1)c1cccs1 ZINC000102818721 130315558 /nfs/dbraw/zinc/31/55/58/130315558.db2.gz GCMHEZLPHTZDEA-UHFFFAOYSA-N -1 0 456.936 5.401 50 0 JKAARM CC(=O)c1ccc(NC(=O)[C@H](Sc2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)c2ccccc2)cc1 ZINC000037018953 518377396 /nfs/dbraw/zinc/37/73/96/518377396.db2.gz WHWMSQZBESMOFH-AQLJSXSMSA-N -1 0 488.565 5.331 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)cs3)n(C)c2C)c1 ZINC000065008752 518446476 /nfs/dbraw/zinc/44/64/76/518446476.db2.gz HXDWPTWMIXTYDL-UHFFFAOYSA-N -1 0 486.018 5.781 50 0 JKAARM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253468 519443113 /nfs/dbraw/zinc/44/31/13/519443113.db2.gz CBDJMNATOIDYMA-UHFFFAOYSA-N -1 0 452.576 5.021 50 0 JKAARM CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000006146051 519664618 /nfs/dbraw/zinc/66/46/18/519664618.db2.gz RGUYZLQGTWJWIT-UHFFFAOYSA-N -1 0 491.638 6.348 50 0 JKAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033253580 519713655 /nfs/dbraw/zinc/71/36/55/519713655.db2.gz OEKPXAULXQPFRD-UHFFFAOYSA-N -1 0 483.428 5.067 50 0 JKAARM CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3cccc(C(=O)[O-])c3)c3ccccc3n2)c1 ZINC000002777221 519763838 /nfs/dbraw/zinc/76/38/38/519763838.db2.gz ODFHDIHEMSTFGH-UHFFFAOYSA-N -1 0 499.592 5.762 50 0 JKAARM CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCCC(=O)[O-] ZINC000044126326 519830867 /nfs/dbraw/zinc/83/08/67/519830867.db2.gz CSXSPKWNQNBBND-UHFFFAOYSA-N -1 0 498.598 7.592 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260681 519915089 /nfs/dbraw/zinc/91/50/89/519915089.db2.gz HOIDBCRVFJXTBT-UHFFFAOYSA-N -1 0 466.969 5.042 50 0 JKAARM CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000004124277 520222208 /nfs/dbraw/zinc/22/22/08/520222208.db2.gz XZYFVNJYAXNICQ-OHQAAIJDSA-N -1 0 459.539 5.115 50 0 JKAARM CCCOc1c(Br)cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000033490510 520289514 /nfs/dbraw/zinc/28/95/14/520289514.db2.gz CWEIHIUVNTYPSY-ZKMNFCBKSA-N -1 0 496.401 6.616 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000004097828 520412717 /nfs/dbraw/zinc/41/27/17/520412717.db2.gz YKOPWPOFWMYZJZ-PRIAQAIDSA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000039560074 520412785 /nfs/dbraw/zinc/41/27/85/520412785.db2.gz MDZKJHQSJHYOHJ-ANJZIQFASA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 ZINC000033260526 520481189 /nfs/dbraw/zinc/48/11/89/520481189.db2.gz ZQQMHYDIKBFRJN-UHFFFAOYSA-N -1 0 470.367 5.574 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253624 520543417 /nfs/dbraw/zinc/54/34/17/520543417.db2.gz SHZDTVCFFBPUTH-UHFFFAOYSA-N -1 0 456.539 5.131 50 0 JKAARM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2cccc(C)c2)n1 ZINC000009431847 520570246 /nfs/dbraw/zinc/57/02/46/520570246.db2.gz QCXZUMUOBURBFJ-UHFFFAOYSA-N -1 0 480.977 6.191 50 0 JKAARM CCOc1cc(CNc2cc(C(=O)[O-])ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000095472037 520732768 /nfs/dbraw/zinc/73/27/68/520732768.db2.gz LQRXQGBEZLARAO-UHFFFAOYSA-N -1 0 460.357 6.590 50 0 JKAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(C)c1 ZINC000065004855 520918875 /nfs/dbraw/zinc/91/88/75/520918875.db2.gz ZKFXENWIWQCMQX-UHFFFAOYSA-N -1 0 459.637 6.016 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 ZINC000027580780 520923262 /nfs/dbraw/zinc/92/32/62/520923262.db2.gz ADHSGJRMCYYYCW-UHFFFAOYSA-N -1 0 480.520 6.587 50 0 JKAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C(=O)[O-])CC1 ZINC000033253432 521043630 /nfs/dbraw/zinc/04/36/30/521043630.db2.gz CSKGXKOMEWOHOZ-UHFFFAOYSA-N -1 0 456.608 5.470 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)s1 ZINC000033306560 521193670 /nfs/dbraw/zinc/19/36/70/521193670.db2.gz VPAVGMNBCWYHQO-RMKNXTFCSA-N -1 0 481.983 5.026 50 0 JKAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000023430122 521285793 /nfs/dbraw/zinc/28/57/93/521285793.db2.gz LJPUGTOBYWNLMQ-UHFFFAOYSA-N -1 0 456.995 5.413 50 0 JKAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000008637278 521349109 /nfs/dbraw/zinc/34/91/09/521349109.db2.gz JCVBIPDGNPIEDQ-QGZVFWFLSA-N -1 0 468.781 5.022 50 0 JKAARM CCC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c(Cl)cccc2Cl)C1 ZINC000033389809 521366370 /nfs/dbraw/zinc/36/63/70/521366370.db2.gz CAPPOCUNYBVWBT-UGEDRFTOSA-N -1 0 454.397 7.779 50 0 JKAARM CCOC(=O)c1c(C)oc(-c2ccc(Cl)cc2)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000012369541 521400299 /nfs/dbraw/zinc/40/02/99/521400299.db2.gz NOTZSJXMVUZGDX-UHFFFAOYSA-N -1 0 475.994 6.183 50 0 JKAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002441661 521556651 /nfs/dbraw/zinc/55/66/51/521556651.db2.gz DXZDQCROPHQRPP-UHFFFAOYSA-N -1 0 489.384 5.880 50 0 JKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000045992785 521619677 /nfs/dbraw/zinc/61/96/77/521619677.db2.gz RCTFUSSYLASLGH-UHFFFAOYSA-N -1 0 453.944 5.494 50 0 JKAARM CCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000008612080 521788651 /nfs/dbraw/zinc/78/86/51/521788651.db2.gz MOVFVODWZOFYPP-UHFFFAOYSA-N -1 0 452.923 5.493 50 0 JKAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1F ZINC000033530778 521923434 /nfs/dbraw/zinc/92/34/34/521923434.db2.gz WYGHZWJYURWOIS-ATVHPVEESA-N -1 0 492.528 5.477 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000045992794 522439803 /nfs/dbraw/zinc/43/98/03/522439803.db2.gz ZQITVPOTWOUYGR-UHFFFAOYSA-N -1 0 456.372 5.618 50 0 JKAARM CCn1c(CCc2ccccc2[N-]S(=O)(=O)c2ccc(Br)s2)nc2ccccc21 ZINC000033275354 523186466 /nfs/dbraw/zinc/18/64/66/523186466.db2.gz WPQPXMYSKIADPI-UHFFFAOYSA-N -1 0 490.448 5.466 50 0 JKAARM CCn1c2cc([N-]S(=O)(=O)c3ccccc3Cl)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941061 523258798 /nfs/dbraw/zinc/25/87/98/523258798.db2.gz HSZNJVHMQVJYMS-UHFFFAOYSA-N -1 0 488.034 5.448 50 0 JKAARM CCn1c2cc([N-]S(=O)(=O)c3cc(C)cc(C)c3C)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941063 523259574 /nfs/dbraw/zinc/25/95/74/523259574.db2.gz AQNACFIEVTXMPP-UHFFFAOYSA-N -1 0 495.670 5.720 50 0 JKAARM CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)[N-]c4c(F)c(F)c(F)c(F)c4F)oc3ccc2O1 ZINC000020418243 523703563 /nfs/dbraw/zinc/70/35/63/523703563.db2.gz ZSUYRGZTYHMGGL-QFIPXVFZSA-N -1 0 453.363 5.823 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)cs2)n(C)c1C ZINC000065008881 523843388 /nfs/dbraw/zinc/84/33/88/523843388.db2.gz WGCXZVOCBWYNAM-UHFFFAOYSA-N -1 0 471.579 5.381 50 0 JKAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccc(SC)cc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000040485645 523872227 /nfs/dbraw/zinc/87/22/27/523872227.db2.gz OFZJKJWTLRESKI-QHCPKHFHSA-N -1 0 461.539 5.168 50 0 JKAARM COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000020220610 524023944 /nfs/dbraw/zinc/02/39/44/524023944.db2.gz ORRQFUITVLBLMF-UXHICEINSA-N -1 0 469.603 6.079 50 0 JKAARM CN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)C1=O ZINC000036367233 524032584 /nfs/dbraw/zinc/03/25/84/524032584.db2.gz BADWOAOLXORSSS-QFIPXVFZSA-N -1 0 473.337 5.025 50 0 JKAARM CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000022570551 524065089 /nfs/dbraw/zinc/06/50/89/524065089.db2.gz GYSRHOTXMQCARF-QGZVFWFLSA-N -1 0 462.571 5.627 50 0 JKAARM Cc1ccc(C)c([C@@H]2C[C@H]([C@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000014944353 524209033 /nfs/dbraw/zinc/20/90/33/524209033.db2.gz IMXDIIJFEQFWHF-QATBIIFWSA-N -1 0 464.403 6.884 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000002887599 524240127 /nfs/dbraw/zinc/24/01/27/524240127.db2.gz FTADPKIEXDNYNT-UHFFFAOYSA-N -1 0 465.358 5.364 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010685 524245870 /nfs/dbraw/zinc/24/58/70/524245870.db2.gz ALUUCYAVFUKCNA-UHFFFAOYSA-N -1 0 491.009 5.447 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1C ZINC000006146555 524254189 /nfs/dbraw/zinc/25/41/89/524254189.db2.gz ULBLOMUMTGVQBO-UHFFFAOYSA-N -1 0 498.648 6.240 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000033078604 524561407 /nfs/dbraw/zinc/56/14/07/524561407.db2.gz QDFSAKLJCWHCCH-SFHVURJKSA-N -1 0 463.965 5.314 50 0 JKAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000012285249 524594598 /nfs/dbraw/zinc/59/45/98/524594598.db2.gz NCACSLQRMYZYDP-RUZDIDTESA-N -1 0 490.506 5.364 50 0 JKAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1Cl ZINC000002873167 524633354 /nfs/dbraw/zinc/63/33/54/524633354.db2.gz NVMCIASVVIZWMY-UHFFFAOYSA-N -1 0 479.385 5.672 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141347 524642424 /nfs/dbraw/zinc/64/24/24/524642424.db2.gz ZUYWQJVFNZUGNN-UHFFFAOYSA-N -1 0 461.952 5.236 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)no3)sc2C)c(OC)c1 ZINC000046141430 524686028 /nfs/dbraw/zinc/68/60/28/524686028.db2.gz OSCXTXOOFHBEDQ-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)c1C ZINC000016448268 524690763 /nfs/dbraw/zinc/69/07/63/524690763.db2.gz HVJLOZXGZSFHBI-UHFFFAOYSA-N -1 0 482.911 6.029 50 0 JKAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000002341373 524700059 /nfs/dbraw/zinc/70/00/59/524700059.db2.gz VPKXBMVOICXCNV-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014243545 524716138 /nfs/dbraw/zinc/71/61/38/524716138.db2.gz JXSVIVRDWWRQRT-AFVDTXCJSA-N -1 0 488.709 5.033 50 0 biogenic,in-vitro JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2F)c1 ZINC000017249626 524808921 /nfs/dbraw/zinc/80/89/21/524808921.db2.gz SHRQHCCBLLQTLV-UHFFFAOYSA-N -1 0 487.354 5.384 50 0 JKAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)c1 ZINC000046141324 524870493 /nfs/dbraw/zinc/87/04/93/524870493.db2.gz RUTKRWYEAUUCQO-UHFFFAOYSA-N -1 0 491.978 5.245 50 0 JKAARM Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(=O)c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000021882762 525083982 /nfs/dbraw/zinc/08/39/82/525083982.db2.gz RKWCANRCVNYSKR-UHFFFAOYSA-N -1 0 499.596 5.153 50 0 JKAARM Cc1ccccc1CSc1ncc(Sc2ccccc2)c(C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000021659876 525186972 /nfs/dbraw/zinc/18/69/72/525186972.db2.gz STBRSSCODJCLFG-UHFFFAOYSA-N -1 0 487.606 6.179 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000006146673 525247460 /nfs/dbraw/zinc/24/74/60/525247460.db2.gz LTTXHNNBEJLVFB-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM COc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)N2CC(=O)[O-])cc1 ZINC000008892472 525431044 /nfs/dbraw/zinc/43/10/44/525431044.db2.gz YKYQAINIKBCLTM-PKTZIBPZSA-N -1 0 453.336 5.058 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000013551808 525433228 /nfs/dbraw/zinc/43/32/28/525433228.db2.gz PJOCDTPEPTZTAT-NTKDMRAZSA-N -1 0 464.905 5.298 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000016310613 525615444 /nfs/dbraw/zinc/61/54/44/525615444.db2.gz RPNUHLVYRPCDIO-UHFFFAOYSA-N -1 0 470.594 5.638 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4cccc(Cl)c4)cc3C)s2)cc1 ZINC000013349148 525617224 /nfs/dbraw/zinc/61/72/24/525617224.db2.gz YPKKUFXWLMLADC-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(C)c(Cl)c4)ccc3s2)cc1 ZINC000013347463 525617336 /nfs/dbraw/zinc/61/73/36/525617336.db2.gz PPWFGSCACYCJTO-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)cc1C ZINC000016955605 525618496 /nfs/dbraw/zinc/61/84/96/525618496.db2.gz IDXJBHYJQIYMDV-UHFFFAOYSA-N -1 0 497.418 5.862 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)c(C)c2)cc1C ZINC000017248886 525618771 /nfs/dbraw/zinc/61/87/71/525618771.db2.gz BYTBQRIOYYSPAZ-UHFFFAOYSA-N -1 0 497.418 5.862 50 0 JKAARM Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000001385914 525625512 /nfs/dbraw/zinc/62/55/12/525625512.db2.gz ICOMIMOSCCCMGG-UHFFFAOYSA-N -1 0 460.386 5.809 50 0 JKAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000012252808 525634626 /nfs/dbraw/zinc/63/46/26/525634626.db2.gz VVSYTWSPACUSNH-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)s4)cc3)sc2c1 ZINC000033169200 525654610 /nfs/dbraw/zinc/65/46/10/525654610.db2.gz PSLUTCCALQJJBO-UHFFFAOYSA-N -1 0 481.418 5.597 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(OC)ccc4OC)c(C)c3)sc2c1 ZINC000033289294 525655598 /nfs/dbraw/zinc/65/55/98/525655598.db2.gz VTJYCROCYYGOKW-UHFFFAOYSA-N -1 0 470.572 5.098 50 0 JKAARM Cc1c(C)c(C)c(CSCc2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)c(C)c1C ZINC000008618026 525674780 /nfs/dbraw/zinc/67/47/80/525674780.db2.gz GPRJWOJDVHTRFI-UHFFFAOYSA-N -1 0 451.583 6.924 50 0 JKAARM Cc1ccnc(O[C@H](C(=O)[O-])[C@@](SCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013943614 525706190 /nfs/dbraw/zinc/70/61/90/525706190.db2.gz XEIWZNDIXNFDDV-SHQCIBLASA-N -1 0 474.557 5.633 50 0 JKAARM C[C@@](Cc1ccc(Br)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000091252337 525743964 /nfs/dbraw/zinc/74/39/64/525743964.db2.gz PSVZPFIZDGCWIL-VWLOTQADSA-N -1 0 480.358 5.374 50 0 JKAARM Cc1c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000065008876 525886981 /nfs/dbraw/zinc/88/69/81/525886981.db2.gz DJKSIPLMWUFVTD-UHFFFAOYSA-N -1 0 463.506 5.342 50 0 JKAARM Cc1c([C@@H](c2ccccc2Cl)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000008682544 525905991 /nfs/dbraw/zinc/90/59/91/525905991.db2.gz OBNRNAFOPICWLO-HSZRJFAPSA-N -1 0 472.928 5.130 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2oc1C(=O)N1CCCCCC1 ZINC000065010971 525942164 /nfs/dbraw/zinc/94/21/64/525942164.db2.gz DXNWRYMJSYEUJL-UHFFFAOYSA-N -1 0 468.619 5.792 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(Br)c3)c2oc1C(=O)N1CCCC1 ZINC000065010559 525942502 /nfs/dbraw/zinc/94/25/02/525942502.db2.gz YBPXHNMPAGDACH-UHFFFAOYSA-N -1 0 491.407 5.157 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2oc1C(=O)N1CCCC1 ZINC000065010527 525943501 /nfs/dbraw/zinc/94/35/01/525943501.db2.gz YZSNEXALTFRMNY-UHFFFAOYSA-N -1 0 464.946 5.187 50 0 JKAARM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000033169120 526054308 /nfs/dbraw/zinc/05/43/08/526054308.db2.gz UEOQEJIKWJCTMJ-UHFFFAOYSA-N -1 0 465.419 5.897 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C/c1ccc(Br)cc1 ZINC000033647089 526340806 /nfs/dbraw/zinc/34/08/06/526340806.db2.gz MMZUFXLVWMZYIF-ZHZULCJRSA-N -1 0 485.381 6.252 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)nc2ccc(Cl)cc21 ZINC000002429309 526340983 /nfs/dbraw/zinc/34/09/83/526340983.db2.gz XQTPQXPTROCRLF-UHFFFAOYSA-N -1 0 452.215 7.186 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000033260863 526348836 /nfs/dbraw/zinc/34/88/36/526348836.db2.gz HTAPMNJTTVYUDR-UHFFFAOYSA-N -1 0 486.959 5.165 50 0 JKAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CC=C(c2ccccc2)CC1 ZINC000035450762 526350397 /nfs/dbraw/zinc/35/03/97/526350397.db2.gz FNOCSFVYMAFCGU-UHFFFAOYSA-N -1 0 477.358 5.693 50 0 JKAARM Cc1nnc(SCc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)n1C1CCCCC1 ZINC000009846793 526387810 /nfs/dbraw/zinc/38/78/10/526387810.db2.gz AYRYSXFFKJZBJI-UHFFFAOYSA-N -1 0 472.039 6.002 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000008829787 526396682 /nfs/dbraw/zinc/39/66/82/526396682.db2.gz MMOZJYLRFLUAHM-UHFFFAOYSA-N -1 0 454.935 5.162 50 0 JKAARM O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000023443486 526661856 /nfs/dbraw/zinc/66/18/56/526661856.db2.gz MRKGBGGTMLGZHX-UHFFFAOYSA-N -1 0 468.884 5.090 50 0 JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC[C@H](C(=O)[O-])C4)c(C)c3cc2c1-c1ccccc1 ZINC000013628403 526781478 /nfs/dbraw/zinc/78/14/78/526781478.db2.gz WXMYMOBHXIZVFO-IBGZPJMESA-N -1 0 473.525 5.079 50 0 JKAARM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]C(=S)N=[S@](C)(=O)c1ccccc1 ZINC000020442949 526842501 /nfs/dbraw/zinc/84/25/01/526842501.db2.gz XZRJLINLIKCYDO-GDLZYMKVSA-N -1 0 468.387 5.128 50 0 JKAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299354 526874700 /nfs/dbraw/zinc/87/47/00/526874700.db2.gz KSMWHVCIOMYHDC-UHFFFAOYSA-N -1 0 450.891 5.801 50 0 JKAARM Cc1sc2nc(CN3CCCC3)nc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2c1C ZINC000002641800 526890204 /nfs/dbraw/zinc/89/02/04/526890204.db2.gz XVBCZPGMQFHIFH-UHFFFAOYSA-N -1 0 472.680 5.311 50 0 JKAARM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006146955 527103759 /nfs/dbraw/zinc/10/37/59/527103759.db2.gz UMQXRXAJWHNFJC-UHFFFAOYSA-N -1 0 489.302 6.065 50 0 JKAARM O=C(Nc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1)c1ccco1 ZINC000033276463 527139961 /nfs/dbraw/zinc/13/99/61/527139961.db2.gz FCDGFPZSUBTJRG-UHFFFAOYSA-N -1 0 492.538 5.111 50 0 JKAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cc(=O)c2ccccc2o1 ZINC000012500239 527177566 /nfs/dbraw/zinc/17/75/66/527177566.db2.gz BGCOYNNXRHJBSM-UHFFFAOYSA-N -1 0 489.336 5.153 50 0 JKAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627198 527205514 /nfs/dbraw/zinc/20/55/14/527205514.db2.gz FKEXLARGDYNLCB-LJQANCHMSA-N -1 0 492.407 5.162 50 0 JKAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004692 527248181 /nfs/dbraw/zinc/24/81/81/527248181.db2.gz WSSLLNYNIQKZDF-UHFFFAOYSA-N -1 0 471.373 5.763 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000002272382 527259347 /nfs/dbraw/zinc/25/93/47/527259347.db2.gz YJSZNYITHRNWRJ-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM O=C(NC1CCCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000033115389 527517421 /nfs/dbraw/zinc/51/74/21/527517421.db2.gz BNIIJENGERVGJK-UHFFFAOYSA-N -1 0 497.480 5.182 50 0 JKAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C[C@@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033709364 527546213 /nfs/dbraw/zinc/54/62/13/527546213.db2.gz BZBKBBJAVVSWHX-NZCCEVMUSA-N -1 0 486.015 7.230 50 0 JKAARM O=C([O-])C1(c2ccc3ccccc3c2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000044122512 527560246 /nfs/dbraw/zinc/56/02/46/527560246.db2.gz HATIERMRHMDJMR-UHFFFAOYSA-N -1 0 477.560 6.207 50 0 JKAARM O=C([O-])CCC(=O)N(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000002701477 527571829 /nfs/dbraw/zinc/57/18/29/527571829.db2.gz CHAMKGHSJLIZEB-UHFFFAOYSA-N -1 0 457.505 5.072 50 0 JKAARM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000033115523 527605649 /nfs/dbraw/zinc/60/56/49/527605649.db2.gz KGMBQPBEZSZDKF-UHFFFAOYSA-N -1 0 497.480 5.040 50 0 JKAARM O=C([O-])CSCC(=O)Nc1ccccc1Sc1ncnc2cc(-c3ccccc3)sc21 ZINC000008618245 527621281 /nfs/dbraw/zinc/62/12/81/527621281.db2.gz NLGPJHKLZXDWMM-UHFFFAOYSA-N -1 0 467.597 5.266 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 ZINC000002574678 527632813 /nfs/dbraw/zinc/63/28/13/527632813.db2.gz GVCLAQFMSVKNKH-QFIPXVFZSA-N -1 0 466.331 5.504 50 0 JKAARM Cc1sc2nc(C)n([N-]C(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)c(=O)c2c1C ZINC000000654164 553734852 /nfs/dbraw/zinc/73/48/52/553734852.db2.gz DKQFINLIJZWRNB-UHFFFAOYSA-N -1 0 478.357 5.246 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3c(Cl)cccc3Cl)cc2)c1C ZINC000000656293 553736362 /nfs/dbraw/zinc/73/63/62/553736362.db2.gz VWRFWLSJQXVKQP-ZHACJKMWSA-N -1 0 466.346 5.051 50 0 JKAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 ZINC000000662971 553740333 /nfs/dbraw/zinc/74/03/33/553740333.db2.gz OXLJAXLKBGZURJ-UHFFFAOYSA-N -1 0 465.980 5.363 50 0 JKAARM Cc1c(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000805866 553784799 /nfs/dbraw/zinc/78/47/99/553784799.db2.gz HAJXWOUDTDWEFM-UHFFFAOYSA-N -1 0 489.142 5.049 50 0 JKAARM Cc1ccc(-c2nnc(Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c3ccccc32)cc1 ZINC000000873255 553811060 /nfs/dbraw/zinc/81/10/60/553811060.db2.gz IHHKROVKPZKJGR-UHFFFAOYSA-N -1 0 473.583 5.606 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C ZINC000000950163 553880782 /nfs/dbraw/zinc/88/07/82/553880782.db2.gz MFDXKWQZOYSRTF-UHFFFAOYSA-N -1 0 455.323 5.043 50 0 JKAARM Cc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)cc1 ZINC000000955924 553883821 /nfs/dbraw/zinc/88/38/21/553883821.db2.gz QXBPTYROMXTGAH-UHFFFAOYSA-N -1 0 451.577 5.070 50 0 JKAARM CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc32)N(c2cccc3ccccc32)C(=O)N1CC(=O)[O-] ZINC000001231969 553936310 /nfs/dbraw/zinc/93/63/10/553936310.db2.gz RGQBKWDXGZGQTF-VWLOTQADSA-N -1 0 498.539 5.348 50 0 JKAARM Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000001385903 553965915 /nfs/dbraw/zinc/96/59/15/553965915.db2.gz OHWFTINTQHNQJV-UHFFFAOYSA-N -1 0 459.493 5.521 50 0 JKAARM COC(=O)c1c([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 ZINC000002050080 554010180 /nfs/dbraw/zinc/01/01/80/554010180.db2.gz OROMAQBFKDQIHG-UHFFFAOYSA-N -1 0 480.430 5.076 50 0 JKAARM NC(=O)c1c([N-]C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 ZINC000002050148 554010457 /nfs/dbraw/zinc/01/04/57/554010457.db2.gz DXLSICWYOBVIAM-UHFFFAOYSA-N -1 0 499.864 5.042 50 0 JKAARM CC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000002079308 554025937 /nfs/dbraw/zinc/02/59/37/554025937.db2.gz KGWVPWVUZFJMHK-UHFFFAOYSA-N -1 0 450.387 6.884 50 0 JKAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002100829 554042607 /nfs/dbraw/zinc/04/26/07/554042607.db2.gz GYIFDGMOJPFJNQ-RUZDIDTESA-N -1 0 481.504 5.308 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccccc1 ZINC000002102859 554043623 /nfs/dbraw/zinc/04/36/23/554043623.db2.gz KEODIORLKDHMON-VWLOTQADSA-N -1 0 495.531 5.259 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC1CCC(C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000002103636 554044140 /nfs/dbraw/zinc/04/41/40/554044140.db2.gz CVJHNVSDGABJKP-UHFFFAOYSA-N -1 0 473.525 5.064 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc2c1-c1ccccc1 ZINC000002112557 554051234 /nfs/dbraw/zinc/05/12/34/554051234.db2.gz SRPFLAWELYPLTR-UHFFFAOYSA-N -1 0 487.552 5.373 50 0 biogenic JKAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002112847 554051264 /nfs/dbraw/zinc/05/12/64/554051264.db2.gz LWNFZRHEJRSYIM-QFIPXVFZSA-N -1 0 475.541 5.515 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1-c1ccccc1 ZINC000002114199 554052530 /nfs/dbraw/zinc/05/25/30/554052530.db2.gz FDPKNDPIJLVNRD-HHHXNRCGSA-N -1 0 481.504 5.308 50 0 biogenic JKAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002115559 554053130 /nfs/dbraw/zinc/05/31/30/554053130.db2.gz DSXITESIBAFKCN-FQEVSTJZSA-N -1 0 467.905 5.080 50 0 biogenic JKAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])occ3C(C)(C)C ZINC000002115719 554053366 /nfs/dbraw/zinc/05/33/66/554053366.db2.gz OFUVVQPMUPIKHX-OAQYLSRUSA-N -1 0 495.959 5.153 50 0 biogenic JKAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002118269 554054275 /nfs/dbraw/zinc/05/42/75/554054275.db2.gz HQSRIEACUVEPTK-UHFFFAOYSA-N -1 0 489.568 5.825 50 0 biogenic JKAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002120471 554055643 /nfs/dbraw/zinc/05/56/43/554055643.db2.gz MLPCEGZRKGNKTO-OAQYLSRUSA-N -1 0 481.932 5.388 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002123076 554056880 /nfs/dbraw/zinc/05/68/80/554056880.db2.gz XTPLJUOPFFSPBY-QFIPXVFZSA-N -1 0 475.541 5.371 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002125982 554058238 /nfs/dbraw/zinc/05/82/38/554058238.db2.gz OBMDHTVYZHDLBL-ASSNKEHSSA-N -1 0 455.551 5.002 50 0 biogenic JKAARM O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002164870 554075183 /nfs/dbraw/zinc/07/51/83/554075183.db2.gz FCGRHEARLRJNBY-MTJSOVHGSA-N -1 0 465.914 5.858 50 0 JKAARM Cc1cc(Br)cc(C)c1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000002166053 554075833 /nfs/dbraw/zinc/07/58/33/554075833.db2.gz QEKYDNOQMXKTGJ-UHFFFAOYSA-N -1 0 485.976 6.630 50 0 JKAARM Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1 ZINC000002170096 554076444 /nfs/dbraw/zinc/07/64/44/554076444.db2.gz UUALWWJIDOVCPM-JAIQZWGSSA-N -1 0 453.903 5.843 50 0 JKAARM Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000002184360 554081647 /nfs/dbraw/zinc/08/16/47/554081647.db2.gz NHKWGFAQGIHQHM-NVNXTCNLSA-N -1 0 483.181 5.462 50 0 JKAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002207163 554093145 /nfs/dbraw/zinc/09/31/45/554093145.db2.gz OCVCEJNLFCIYAR-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccccc1F ZINC000002214783 554097334 /nfs/dbraw/zinc/09/73/34/554097334.db2.gz YHRGSRKWHGMDAY-UHFFFAOYSA-N -1 0 486.322 5.229 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002222781 554101930 /nfs/dbraw/zinc/10/19/30/554101930.db2.gz YYHMWGVCKQJDPJ-UHFFFAOYSA-N -1 0 462.575 5.525 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000002226741 554103504 /nfs/dbraw/zinc/10/35/04/554103504.db2.gz JOOSEZVXODOQML-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccccc1 ZINC000002228829 554104570 /nfs/dbraw/zinc/10/45/70/554104570.db2.gz BWAIRPGPSYRRBO-UHFFFAOYSA-N -1 0 468.332 5.090 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000002235259 554107151 /nfs/dbraw/zinc/10/71/51/554107151.db2.gz ZYHBBHPHQMXMOD-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1 ZINC000002236216 554107931 /nfs/dbraw/zinc/10/79/31/554107931.db2.gz PKLIRONJMKNZFB-UHFFFAOYSA-N -1 0 467.319 5.597 50 0 JKAARM CCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002240007 554109136 /nfs/dbraw/zinc/10/91/36/554109136.db2.gz KNGILXZPUBZTGM-UHFFFAOYSA-N -1 0 462.575 5.662 50 0 JKAARM CC(C)(C)OC(=O)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002243987 554110513 /nfs/dbraw/zinc/11/05/13/554110513.db2.gz GQIVAZYTLZQGHT-VWLOTQADSA-N -1 0 487.552 5.176 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000002259733 554121236 /nfs/dbraw/zinc/12/12/36/554121236.db2.gz CFOVMSGTHSCDGA-UHFFFAOYSA-N -1 0 475.555 5.112 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1SC(F)(F)F)c1ccccc1 ZINC000002269951 554126485 /nfs/dbraw/zinc/12/64/85/554126485.db2.gz OTVYGWGTRXEEPV-UHFFFAOYSA-N -1 0 476.505 5.786 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000002314799 554145009 /nfs/dbraw/zinc/14/50/09/554145009.db2.gz INHWRGKZVUODGU-UHFFFAOYSA-N -1 0 484.411 5.718 50 0 JKAARM O=S(=O)([N-]c1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc2ccccc2c1 ZINC000002317397 554146382 /nfs/dbraw/zinc/14/63/82/554146382.db2.gz DBWDOFRLGCONJK-UHFFFAOYSA-N -1 0 464.550 5.587 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000002338200 554154969 /nfs/dbraw/zinc/15/49/69/554154969.db2.gz NZALRDWDMUJGCA-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM CCCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002355976 554163996 /nfs/dbraw/zinc/16/39/96/554163996.db2.gz KNDPUNVNWGZCOM-UHFFFAOYSA-N -1 0 490.585 5.440 50 0 JKAARM O=C([O-])C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385891 554177529 /nfs/dbraw/zinc/17/75/29/554177529.db2.gz LHOASNXTOYNEHC-GOSISDBHSA-N -1 0 469.459 5.630 50 0 JKAARM O=C([O-])C[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385847 554177533 /nfs/dbraw/zinc/17/75/33/554177533.db2.gz HCBMYXPXBOUBBR-GFCCVEGCSA-N -1 0 491.412 5.307 50 0 JKAARM O=C([O-])C[C@H](Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385965 554177559 /nfs/dbraw/zinc/17/75/59/554177559.db2.gz LQGDRWACMZMSCD-QFIPXVFZSA-N -1 0 451.522 5.764 50 0 JKAARM O=C([O-])[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386920 554177850 /nfs/dbraw/zinc/17/78/50/554177850.db2.gz KSQOLKMHJFBQNA-JOCHJYFZSA-N -1 0 455.432 5.240 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(Br)c1 ZINC000002389072 554178860 /nfs/dbraw/zinc/17/88/60/554178860.db2.gz KGNRGFVZQISFCT-JOCHJYFZSA-N -1 0 466.331 5.504 50 0 JKAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000002389795 554179093 /nfs/dbraw/zinc/17/90/93/554179093.db2.gz GQRZIYGFRVKFSB-NDEPHWFRSA-N -1 0 477.560 6.201 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000002389797 554179105 /nfs/dbraw/zinc/17/91/05/554179105.db2.gz GQRZIYGFRVKFSB-MUUNZHRXSA-N -1 0 477.560 6.201 50 0 JKAARM CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000002391131 554179612 /nfs/dbraw/zinc/17/96/12/554179612.db2.gz PRQWZKPLKWYCDZ-IBGZPJMESA-N -1 0 454.350 5.435 50 0 JKAARM CCCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002408053 554190048 /nfs/dbraw/zinc/19/00/48/554190048.db2.gz OQGYGPQFSHAPRL-UHFFFAOYSA-N -1 0 490.585 5.440 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000002410286 554191354 /nfs/dbraw/zinc/19/13/54/554191354.db2.gz PXNCZUOSBULVFR-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000002424738 554200447 /nfs/dbraw/zinc/20/04/47/554200447.db2.gz UDLZMRIDUBUGOG-UHFFFAOYSA-N -1 0 452.923 5.030 50 0 JKAARM Cc1cc(C)cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002427917 554203116 /nfs/dbraw/zinc/20/31/16/554203116.db2.gz NTBIKSSILRKXTN-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM CCc1ccc(-n2c3nc(SCc4nc5ccccc5[nH]4)[n-]c(=O)c3sc2=S)cc1 ZINC000002452431 554219580 /nfs/dbraw/zinc/21/95/80/554219580.db2.gz NUFVSAUVGYKXST-UHFFFAOYSA-N -1 0 451.602 5.236 50 0 JKAARM COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)c1ccccc21 ZINC000002480690 554226184 /nfs/dbraw/zinc/22/61/84/554226184.db2.gz KOGYMWABJWEDTK-UHFFFAOYSA-N -1 0 486.505 5.201 50 0 JKAARM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4cccc5ccccc54)cc3Br)c21 ZINC000002503437 554229984 /nfs/dbraw/zinc/22/99/84/554229984.db2.gz DRRCDYUHYGPSFL-UHFFFAOYSA-N -1 0 470.344 5.668 50 0 JKAARM O=C([O-])[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002517148 554231985 /nfs/dbraw/zinc/23/19/85/554231985.db2.gz SYOBJKCXNRQOGA-NDEPHWFRSA-N -1 0 491.543 5.452 50 0 JKAARM CC(C)(SCCc1ccncc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583259 554237585 /nfs/dbraw/zinc/23/75/85/554237585.db2.gz HGHPMXLJJCFZBU-XMMPIXPASA-N -1 0 476.598 5.128 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1Cl ZINC000002630691 554252886 /nfs/dbraw/zinc/25/28/86/554252886.db2.gz WDUOXUIEKZKYCQ-UHFFFAOYSA-N -1 0 495.384 5.372 50 0 JKAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)s1 ZINC000002637419 554257847 /nfs/dbraw/zinc/25/78/47/554257847.db2.gz BMRPCYMQZWNDRY-UHFFFAOYSA-N -1 0 496.941 5.022 50 0 JKAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC000002642024 554260942 /nfs/dbraw/zinc/26/09/42/554260942.db2.gz FAKZKJZUNIZRHW-UHFFFAOYSA-N -1 0 492.670 6.039 50 0 JKAARM CCOc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(Br)ccc3OCC)cc2)cc1 ZINC000002644958 554262808 /nfs/dbraw/zinc/26/28/08/554262808.db2.gz ODZSSELJSXNGGI-UHFFFAOYSA-N -1 0 492.391 5.840 50 0 JKAARM Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3cc(F)c(Cl)cc3Cl)cc(C(=O)[O-])c12 ZINC000002659320 554273512 /nfs/dbraw/zinc/27/35/12/554273512.db2.gz FBFRDWWOIXEDPF-UHFFFAOYSA-N -1 0 484.236 6.559 50 0 JKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc2ccc(Br)cc21 ZINC000002670998 554279367 /nfs/dbraw/zinc/27/93/67/554279367.db2.gz HLOOZZCFQWQIPT-UHFFFAOYSA-N -1 0 496.666 7.295 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000002742413 554322463 /nfs/dbraw/zinc/32/24/63/554322463.db2.gz BNKRAYDPUDOBAS-UHFFFAOYSA-N -1 0 492.607 5.473 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002766898 554334052 /nfs/dbraw/zinc/33/40/52/554334052.db2.gz QCLXOTFTXRWJIK-RTWAWAEBSA-N -1 0 481.614 6.245 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002766896 554334130 /nfs/dbraw/zinc/33/41/30/554334130.db2.gz QCLXOTFTXRWJIK-NHCUHLMSSA-N -1 0 481.614 6.245 50 0 JKAARM C[C@H](Cn1cc(Br)cn1)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002809672 554359916 /nfs/dbraw/zinc/35/99/16/554359916.db2.gz JIGCTTWTYXQSEZ-LLVKDONJSA-N -1 0 496.797 5.082 50 0 JKAARM CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000002812041 554360792 /nfs/dbraw/zinc/36/07/92/554360792.db2.gz ZSSVVXQWWRCJQK-UHFFFAOYSA-N -1 0 474.332 5.305 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)no1 ZINC000002862114 554388880 /nfs/dbraw/zinc/38/88/80/554388880.db2.gz QIAOIODCUVBARD-UHFFFAOYSA-N -1 0 481.386 5.958 50 0 JKAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000002991384 554421010 /nfs/dbraw/zinc/42/10/10/554421010.db2.gz UKSQKFQRBFZICP-ZDUSSCGKSA-N -1 0 496.551 5.974 50 0 JKAARM O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051996 554424812 /nfs/dbraw/zinc/42/48/12/554424812.db2.gz KKBKZLBXWNGIPL-UHFFFAOYSA-N -1 0 484.408 5.387 50 0 JKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003085968 554425761 /nfs/dbraw/zinc/42/57/61/554425761.db2.gz DFCKYXOHIGRFID-UHFFFAOYSA-N -1 0 482.361 7.211 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000003168987 554427935 /nfs/dbraw/zinc/42/79/35/554427935.db2.gz HKEJLWCGFTTXKT-UHFFFAOYSA-N -1 0 451.379 5.118 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 ZINC000003172971 554428244 /nfs/dbraw/zinc/42/82/44/554428244.db2.gz JYXJSSUWQCRWJF-UHFFFAOYSA-N -1 0 493.009 6.584 50 0 JKAARM O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003210018 554431345 /nfs/dbraw/zinc/43/13/45/554431345.db2.gz WOFOLNWSJKSBRL-UHFFFAOYSA-N -1 0 455.750 5.700 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000003229810 554434295 /nfs/dbraw/zinc/43/42/95/554434295.db2.gz GSSDYCQKASMQDH-UHFFFAOYSA-N -1 0 479.602 5.047 50 0 JKAARM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003258647 554437962 /nfs/dbraw/zinc/43/79/62/554437962.db2.gz VTCOKDHPSZZJSU-UHFFFAOYSA-N -1 0 452.576 5.985 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc2c1CCCC2)c1cc(Cl)ccc1Cl ZINC000003267736 554439509 /nfs/dbraw/zinc/43/95/09/554439509.db2.gz HBHPZRRVYYSBNW-UHFFFAOYSA-N -1 0 499.423 6.360 50 0 JKAARM Cc1c(Cl)cccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003328191 554452212 /nfs/dbraw/zinc/45/22/12/554452212.db2.gz ZFQLCALITCXUPV-UHFFFAOYSA-N -1 0 465.387 5.851 50 0 JKAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000003330419 554452741 /nfs/dbraw/zinc/45/27/41/554452741.db2.gz KRLVOGSHRBUFQX-UHFFFAOYSA-N -1 0 474.966 5.109 50 0 JKAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)oc1ccccc12 ZINC000003341251 554454525 /nfs/dbraw/zinc/45/45/25/554454525.db2.gz KUPDIRNRORLWEM-UHFFFAOYSA-N -1 0 455.841 6.068 50 0 JKAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[n-]c1=S ZINC000003631181 554468076 /nfs/dbraw/zinc/46/80/76/554468076.db2.gz AWFHGXOBDYWGNK-UHFFFAOYSA-N -1 0 459.571 5.920 50 0 JKAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000006141851 554508467 /nfs/dbraw/zinc/50/84/67/554508467.db2.gz QCUANKROEAUDFV-GFCCVEGCSA-N -1 0 499.397 5.040 50 0 JKAARM O=c1oc2c(cc([N-]S(=O)(=O)c3ccc(Br)c4ccccc43)c3ccccc23)s1 ZINC000006142826 554508748 /nfs/dbraw/zinc/50/87/48/554508748.db2.gz PYSHKAUWOLBVOO-UHFFFAOYSA-N -1 0 486.368 5.724 50 0 JKAARM CCOc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000008387323 554570264 /nfs/dbraw/zinc/57/02/64/554570264.db2.gz YKVBNSJSEMKVBT-OAHLLOKOSA-N -1 0 472.607 5.353 50 0 JKAARM Cc1c2nc([N-]C(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2ccc1Cl ZINC000008445404 554594660 /nfs/dbraw/zinc/59/46/60/554594660.db2.gz VNTGXMKVXKRIHH-UHFFFAOYSA-N -1 0 495.876 6.240 50 0 JKAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008589779 554602350 /nfs/dbraw/zinc/60/23/50/554602350.db2.gz DGICRVZVQQUJSF-UHFFFAOYSA-N -1 0 482.949 5.004 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000008762294 554661869 /nfs/dbraw/zinc/66/18/69/554661869.db2.gz PGGXZDOWEGQSCF-MCQPBBDESA-N -1 0 485.665 5.752 50 0 biogenic JKAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000008780275 554677541 /nfs/dbraw/zinc/67/75/41/554677541.db2.gz YJEZZSVIJILTCR-UHFFFAOYSA-N -1 0 456.571 5.045 50 0 JKAARM Nc1c(C(=O)N2CCC[C@H]2C(=O)[O-])sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000008783401 554680222 /nfs/dbraw/zinc/68/02/22/554680222.db2.gz IQSXVMNVKFKROT-IBGZPJMESA-N -1 0 461.518 5.041 50 0 biogenic,in-vitro JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000008829484 554719687 /nfs/dbraw/zinc/71/96/87/554719687.db2.gz HFGSQOYIOKBQOW-ZSDYHTTISA-N -1 0 472.710 6.060 50 0 biogenic,in-vivo JKAARM Cc1cc(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000008870907 554765897 /nfs/dbraw/zinc/76/58/97/554765897.db2.gz TUAQHKNIVZQCCA-UHFFFAOYSA-N -1 0 464.494 5.563 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000008922924 554820022 /nfs/dbraw/zinc/82/00/22/554820022.db2.gz XDBFNGCWAOAKFD-KBMIEXCESA-N -1 0 494.931 5.306 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000008922858 554820024 /nfs/dbraw/zinc/82/00/24/554820024.db2.gz RXRYPKODTJHOKM-QFQXNSOFSA-N -1 0 458.514 5.261 50 0 biogenic JKAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000008952307 554835783 /nfs/dbraw/zinc/83/57/83/554835783.db2.gz CDBKRFRMPWKELU-NRFANRHFSA-N -1 0 461.514 5.043 50 0 biogenic JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc1 ZINC000008956100 554837061 /nfs/dbraw/zinc/83/70/61/554837061.db2.gz RVJJZZRXTNZDLC-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2C1=O ZINC000008961107 554837772 /nfs/dbraw/zinc/83/77/72/554837772.db2.gz QJWMRXWJWZTZGK-UHFFFAOYSA-N -1 0 473.348 5.022 50 0 JKAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000008961428 554837929 /nfs/dbraw/zinc/83/79/29/554837929.db2.gz SHTMKSHNOQREOP-UHFFFAOYSA-N -1 0 458.923 5.070 50 0 JKAARM COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1O ZINC000008971526 554844039 /nfs/dbraw/zinc/84/40/39/554844039.db2.gz FFDRFESGVDBQDO-UHFFFAOYSA-N -1 0 484.339 6.118 50 0 JKAARM COc1ccccc1C(=O)NC([N-]c1nc2ccc(C)cc2s1)(C(F)(F)F)C(F)(F)F ZINC000009013967 554865259 /nfs/dbraw/zinc/86/52/59/554865259.db2.gz MKJSBHXLIMMYGP-UHFFFAOYSA-N -1 0 463.403 5.276 50 0 JKAARM COc1ccccc1C(=O)NC([N-]c1nc2c(ccc(C)c2C)s1)(C(F)(F)F)C(F)(F)F ZINC000009016156 554866450 /nfs/dbraw/zinc/86/64/50/554866450.db2.gz LOQOUPRNPZAGLO-UHFFFAOYSA-N -1 0 477.430 5.585 50 0 JKAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009049224 554871431 /nfs/dbraw/zinc/87/14/31/554871431.db2.gz MZKHVUMRKFWMFU-UHFFFAOYSA-N -1 0 495.029 5.967 50 0 JKAARM Cc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000009076345 554887876 /nfs/dbraw/zinc/88/78/76/554887876.db2.gz IHIZPTOMMUMKHH-FEVNIDIWSA-N -1 0 460.533 5.368 50 0 JKAARM COC(=O)[C@]([N-]c1nc2ccc(C)cc2s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000009111293 554898511 /nfs/dbraw/zinc/89/85/11/554898511.db2.gz CVTOQKCXXFWZIT-GOSISDBHSA-N -1 0 492.306 5.185 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)c(Cl)c4)=NN32)c(C(=O)[O-])c1OC ZINC000009216615 554985108 /nfs/dbraw/zinc/98/51/08/554985108.db2.gz SNIMEQHMORWIBL-CYFREDJKSA-N -1 0 499.350 5.951 50 0 JKAARM CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C ZINC000009273034 555045147 /nfs/dbraw/zinc/04/51/47/555045147.db2.gz MBOCOASEBVLZRP-UHFFFAOYSA-N -1 0 496.614 5.338 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000009283040 555053649 /nfs/dbraw/zinc/05/36/49/555053649.db2.gz WPXFJMAVSMHATF-UHFFFAOYSA-N -1 0 464.568 5.477 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009285145 555059046 /nfs/dbraw/zinc/05/90/46/555059046.db2.gz XCEXIDXUWYYWLS-UHFFFAOYSA-N -1 0 479.480 5.467 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc5ccccc54)c(Cl)c1=O)(C3)C2 ZINC000009293732 555069695 /nfs/dbraw/zinc/06/96/95/555069695.db2.gz ZWTRZPPDCDUROL-PISAZTPISA-N -1 0 463.965 5.564 50 0 JKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc4ccccc4c3Br)n2)c1[O-] ZINC000009344637 555110165 /nfs/dbraw/zinc/11/01/65/555110165.db2.gz OKFXWXOXVDFYID-UHFFFAOYSA-N -1 0 473.326 6.719 50 0 JKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(I)cc3)n2)c1[O-] ZINC000009345260 555111147 /nfs/dbraw/zinc/11/11/47/555111147.db2.gz UKRSQJOHXOUDTH-UHFFFAOYSA-N -1 0 470.266 5.408 50 0 JKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(Cl)cc3Br)n2)c1[O-] ZINC000009345462 555111624 /nfs/dbraw/zinc/11/16/24/555111624.db2.gz HKEZQUJVCYTWFS-UHFFFAOYSA-N -1 0 457.711 6.219 50 0 JKAARM COc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000009347732 555113810 /nfs/dbraw/zinc/11/38/10/555113810.db2.gz JLFQRWMVHMYERB-HXUWFJFHSA-N -1 0 473.536 5.752 50 0 JKAARM O=C1C[C@H](c2ccc(F)cc2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000009349885 555116885 /nfs/dbraw/zinc/11/68/85/555116885.db2.gz NYVUNSZFQDPBLS-GOSISDBHSA-N -1 0 495.945 6.536 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000009354787 555119140 /nfs/dbraw/zinc/11/91/40/555119140.db2.gz WIDPEHVLVIGBSI-UHFFFAOYSA-N -1 0 477.611 5.788 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000009354786 555119234 /nfs/dbraw/zinc/11/92/34/555119234.db2.gz GEBBCZVTOULHQT-UHFFFAOYSA-N -1 0 477.611 5.788 50 0 JKAARM COc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000009427335 555192073 /nfs/dbraw/zinc/19/20/73/555192073.db2.gz PAOUSIQTYVKBIL-FEVNIDIWSA-N -1 0 476.532 5.068 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000009444266 555217166 /nfs/dbraw/zinc/21/71/66/555217166.db2.gz QUVFOYIKRURCFD-UHFFFAOYSA-N -1 0 481.357 5.064 50 0 JKAARM COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009476895 555257935 /nfs/dbraw/zinc/25/79/35/555257935.db2.gz JMPCQMGYKCTGAF-UHFFFAOYSA-N -1 0 499.589 5.206 50 0 JKAARM CC(=O)OCc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000009496130 555280664 /nfs/dbraw/zinc/28/06/64/555280664.db2.gz MVDJAFOTJAMVRR-UHFFFAOYSA-N -1 0 493.368 5.110 50 0 JKAARM CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000009508291 555294359 /nfs/dbraw/zinc/29/43/59/555294359.db2.gz QBTNETXWNYLLSC-UHFFFAOYSA-N -1 0 461.417 5.189 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000009529534 555323722 /nfs/dbraw/zinc/32/37/22/555323722.db2.gz DEPMUTSATLMSPS-UHFFFAOYSA-N -1 0 494.661 5.703 50 0 JKAARM O=S(=O)([N-]c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3)c1ccc(Cl)s1 ZINC000009635030 555341270 /nfs/dbraw/zinc/34/12/70/555341270.db2.gz VSYOUYNGMWCXGS-UHFFFAOYSA-N -1 0 463.009 5.148 50 0 JKAARM COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000013145793 555343571 /nfs/dbraw/zinc/34/35/71/555343571.db2.gz SPDYFPKPSSRVHL-UHFFFAOYSA-N -1 0 495.384 5.129 50 0 JKAARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=S)[n-]c(=O)c-3c(-c3ccc(Br)cc3)c12 ZINC000009546911 555343533 /nfs/dbraw/zinc/34/35/33/555343533.db2.gz SUHQALBFRFZSOZ-UHFFFAOYSA-N -1 0 464.348 5.058 50 0 JKAARM CCOc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000013146140 555344741 /nfs/dbraw/zinc/34/47/41/555344741.db2.gz ZCHSORNKOYEOLO-UHFFFAOYSA-N -1 0 463.939 5.349 50 0 JKAARM Cc1ccnc(O[C@@H](C(=O)[O-])C(OCc2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000009659644 555362988 /nfs/dbraw/zinc/36/29/88/555362988.db2.gz CMPQWRDNJUNPST-DEOSSOPVSA-N -1 0 476.479 5.056 50 0 JKAARM O=c1nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)[n-]c2ccsc21 ZINC000009662846 555369779 /nfs/dbraw/zinc/36/97/79/555369779.db2.gz DMBAQGUEJHYBNE-UHFFFAOYSA-N -1 0 472.517 5.694 50 0 JKAARM Cc1occc1-c1nnc(SCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])n1Cc1ccccc1 ZINC000013242610 555370253 /nfs/dbraw/zinc/37/02/53/555370253.db2.gz SHKNYPRMMGMAFV-UHFFFAOYSA-N -1 0 498.564 5.477 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(C)cc4Cl)ccc3s2)cc1 ZINC000013347480 555377676 /nfs/dbraw/zinc/37/76/76/555377676.db2.gz SXIZNBICOQQKNL-UHFFFAOYSA-N -1 0 487.006 6.011 50 0 JKAARM CCc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000013348936 555378569 /nfs/dbraw/zinc/37/85/69/555378569.db2.gz VYXAMBFDMCHHLH-UHFFFAOYSA-N -1 0 466.588 5.612 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3s2)cc1 ZINC000013348953 555378829 /nfs/dbraw/zinc/37/88/29/555378829.db2.gz GZHCCVWAYYJEMR-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM CSc1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000013349100 555378862 /nfs/dbraw/zinc/37/88/62/555378862.db2.gz ZHKVPQJKFARYBD-UHFFFAOYSA-N -1 0 484.628 5.771 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccccc4C)cc3s2)cc1 ZINC000013348973 555378887 /nfs/dbraw/zinc/37/88/87/555378887.db2.gz VITMLNFYVRPQLE-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3s2)cc1 ZINC000013349019 555378900 /nfs/dbraw/zinc/37/89/00/555378900.db2.gz IROLKALUPYAGGO-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3s2)cc1 ZINC000013349002 555378915 /nfs/dbraw/zinc/37/89/15/555378915.db2.gz XBHHJKOYCQUBSA-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4ccc5c(c4)OCO5)cc3C)s2)cc1 ZINC000013349234 555379286 /nfs/dbraw/zinc/37/92/86/555379286.db2.gz PHGLPYYMZLOFBY-UHFFFAOYSA-N -1 0 496.570 5.087 50 0 JKAARM CCOc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349347 555379554 /nfs/dbraw/zinc/37/95/54/555379554.db2.gz RQLGLHSCPCXXGY-UHFFFAOYSA-N -1 0 468.560 5.140 50 0 JKAARM Cc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349463 555379654 /nfs/dbraw/zinc/37/96/54/555379654.db2.gz AFPABRIFWSTKBI-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1cc(NC(=O)Nc2ccc(F)cc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349472 555379669 /nfs/dbraw/zinc/37/96/69/555379669.db2.gz ZSGQFIAUTNIQRF-UHFFFAOYSA-N -1 0 456.524 5.189 50 0 JKAARM Cc1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1C ZINC000013349368 555379699 /nfs/dbraw/zinc/37/96/99/555379699.db2.gz HGXJBMQQDXATFS-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM COc1cc(NC(=O)Nc2ccc(C)cc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349528 555380014 /nfs/dbraw/zinc/38/00/14/555380014.db2.gz PGQMVTXVUZHXFV-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)cc1C ZINC000013361356 555386987 /nfs/dbraw/zinc/38/69/87/555386987.db2.gz AMORXJXDITZHTI-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)c(C)c1 ZINC000013361382 555386993 /nfs/dbraw/zinc/38/69/93/555386993.db2.gz ZHBDOPSTIOXVHT-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM O=C([O-])CC/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1 ZINC000013361677 555387394 /nfs/dbraw/zinc/38/73/94/555387394.db2.gz STSINNGGSIFPCG-HMMYKYKNSA-N -1 0 466.566 6.009 50 0 JKAARM COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013465384 555401653 /nfs/dbraw/zinc/40/16/53/555401653.db2.gz UMUXAMJXLBOQNN-QGZVFWFLSA-N -1 0 473.447 6.093 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000009678562 555402674 /nfs/dbraw/zinc/40/26/74/555402674.db2.gz YDEWEXVHUVHARJ-VWLOTQADSA-N -1 0 454.526 5.086 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679530 555406364 /nfs/dbraw/zinc/40/63/64/555406364.db2.gz DCRYLQKJZVOQEQ-RUZDIDTESA-N -1 0 455.514 5.720 50 0 JKAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000009601865 555427568 /nfs/dbraw/zinc/42/75/68/555427568.db2.gz ZREPGLOJGAARBD-NRFANRHFSA-N -1 0 460.490 5.171 50 0 JKAARM O=C([O-])Cc1sc(-c2cc3cc(Cl)ccc3oc2=O)nc1-c1ccc(Br)cc1 ZINC000009704323 555429825 /nfs/dbraw/zinc/42/98/25/555429825.db2.gz KIWZGZFGCYOYBB-UHFFFAOYSA-N -1 0 476.735 5.627 50 0 JKAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000009725275 555458279 /nfs/dbraw/zinc/45/82/79/555458279.db2.gz PXJLUBUQRZTBRV-UHFFFAOYSA-N -1 0 483.977 5.278 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000013551600 555492089 /nfs/dbraw/zinc/49/20/89/555492089.db2.gz HPKHBHSSRDMCPQ-DVECYGJZSA-N -1 0 464.905 5.298 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000013551801 555492248 /nfs/dbraw/zinc/49/22/48/555492248.db2.gz PJOCDTPEPTZTAT-CYFREDJKSA-N -1 0 464.905 5.298 50 0 JKAARM O=C([O-])CCC(=O)N1N=C(c2nn(-c3ccccc3)cc2-c2ccccc2)C[C@@H]1c1cccs1 ZINC000013552524 555492784 /nfs/dbraw/zinc/49/27/84/555492784.db2.gz LLHMWTLIGFZHQU-JOCHJYFZSA-N -1 0 470.554 5.143 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)cc4F)cs3)cc2)n1 ZINC000009781885 555502469 /nfs/dbraw/zinc/50/24/69/555502469.db2.gz OLDSYOXGLLRCCT-UHFFFAOYSA-N -1 0 473.530 5.040 50 0 JKAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(C)c(C)c3)nc2c1 ZINC000009782623 555503562 /nfs/dbraw/zinc/50/35/62/555503562.db2.gz OGGGOGYGFBAGOI-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1 ZINC000009805525 555517527 /nfs/dbraw/zinc/51/75/27/555517527.db2.gz YQCXKOJFCADAAW-JAIQZWGSSA-N -1 0 496.928 5.282 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccccc2C)c2ccccc2)cc1)C(=O)[O-] ZINC000013579127 555517928 /nfs/dbraw/zinc/51/79/28/555517928.db2.gz CEABANSJLOMMTL-KWYINTIXSA-N -1 0 460.555 5.437 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000013579133 555517932 /nfs/dbraw/zinc/51/79/32/555517932.db2.gz CGWWPVMUUNZINC-LMMOQWNQSA-N -1 0 453.347 5.082 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000013579134 555517989 /nfs/dbraw/zinc/51/79/89/555517989.db2.gz CGWWPVMUUNZINC-ZKQHCESOSA-N -1 0 453.347 5.082 50 0 JKAARM C[C@@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013579177 555518251 /nfs/dbraw/zinc/51/82/51/555518251.db2.gz USNHHCOXMRLZPO-MRXNPFEDSA-N -1 0 471.538 5.305 50 0 JKAARM COc1ccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009979910 555581135 /nfs/dbraw/zinc/58/11/35/555581135.db2.gz OOWCBIVCMUPDPA-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000010076003 555615201 /nfs/dbraw/zinc/61/52/01/555615201.db2.gz ZGRJNXMNHUFRBC-JOCHJYFZSA-N -1 0 499.618 7.041 50 0 JKAARM O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc([N-]c3nc4ccccc4c(-c4ccccc4)n3)ncc21 ZINC000010075719 555615290 /nfs/dbraw/zinc/61/52/90/555615290.db2.gz YNHIZVPRXMJJIP-IBGZPJMESA-N -1 0 477.955 6.397 50 0 JKAARM CCCCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)c1=O ZINC000013774738 555615495 /nfs/dbraw/zinc/61/54/95/555615495.db2.gz NVRMEPCBIKBUOR-UHFFFAOYSA-N -1 0 472.010 5.282 50 0 JKAARM O=c1[n-]c(=S)n(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000020070488 555627155 /nfs/dbraw/zinc/62/71/55/555627155.db2.gz KZZPMJCLRGTFGA-UHFFFAOYSA-N -1 0 470.398 5.087 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCC(C)C)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000013939891 555649941 /nfs/dbraw/zinc/64/99/41/555649941.db2.gz RMCRJJOKLWKBFG-QHCPKHFHSA-N -1 0 470.516 5.210 50 0 JKAARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Br)s4)cc3)sc2c1 ZINC000013948072 555658404 /nfs/dbraw/zinc/65/84/04/555658404.db2.gz SSDJDVMBRKGCFM-UHFFFAOYSA-N -1 0 465.419 5.897 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000020168154 555678662 /nfs/dbraw/zinc/67/86/62/555678662.db2.gz PJCJKCAHPFHKGV-ZGIUJUBFSA-N -1 0 455.576 5.284 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000014089755 555684756 /nfs/dbraw/zinc/68/47/56/555684756.db2.gz YJBVHJIKNLBFDX-CWDIIBEGSA-N -1 0 498.748 7.660 50 0 JKAARM Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000014153276 555709091 /nfs/dbraw/zinc/70/90/91/555709091.db2.gz WQGHCEPWXYIAHU-UHFFFAOYSA-N -1 0 489.062 5.421 50 0 JKAARM COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000020220604 555717111 /nfs/dbraw/zinc/71/71/11/555717111.db2.gz GPKYAPZZLVGIPQ-OKZNBEIPSA-N -1 0 463.555 5.430 50 0 JKAARM COc1ccccc1C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000011325503 555772800 /nfs/dbraw/zinc/77/28/00/555772800.db2.gz RNPGUOJRWFWXAO-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020325050 555772825 /nfs/dbraw/zinc/77/28/25/555772825.db2.gz XTBQLSJIZBAWSQ-SHHOIMCASA-N -1 0 467.569 5.054 50 0 JKAARM COc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(C)cc3)[n-]c2-c2ccccc2)cc1Cl ZINC000020328887 555774824 /nfs/dbraw/zinc/77/48/24/555774824.db2.gz IYUODIVTMSOJJO-UHFFFAOYSA-N -1 0 495.988 5.127 50 0 JKAARM Cc1ccc(-c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000020328892 555774883 /nfs/dbraw/zinc/77/48/83/555774883.db2.gz WNINGHUYWFXNLB-UHFFFAOYSA-N -1 0 483.952 5.257 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3=O)c2c1 ZINC000020330576 555775949 /nfs/dbraw/zinc/77/59/49/555775949.db2.gz QSBBXNHNGNYLLI-GLCHGYBISA-N -1 0 494.661 5.050 50 0 JKAARM CCc1nnc(C2=C([O-])c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(C(C)C)cc2)s1 ZINC000011614288 555790744 /nfs/dbraw/zinc/79/07/44/555790744.db2.gz DYWVYJROYYAUFW-FPOVZHCZSA-N -1 0 464.974 6.096 50 0 JKAARM O=C([O-])c1cc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)nc2ccc(Br)cc21 ZINC000011692879 555801904 /nfs/dbraw/zinc/80/19/04/555801904.db2.gz JAJUMORSLDVVIP-UHFFFAOYSA-N -1 0 479.717 6.824 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000020549788 555807036 /nfs/dbraw/zinc/80/70/36/555807036.db2.gz OXQHVLUDSDMXSL-VXKWHMMOSA-N -1 0 497.657 6.858 50 0 JKAARM COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000020568982 555822621 /nfs/dbraw/zinc/82/26/21/555822621.db2.gz DVQJEXMXWGYFBN-RTBURBONSA-N -1 0 469.603 5.885 50 0 JKAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)[C@H](C(=O)[O-])C1 ZINC000020568958 555822713 /nfs/dbraw/zinc/82/27/13/555822713.db2.gz SXQHYQCTRYBHOT-WOJBJXKFSA-N -1 0 497.400 5.180 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000014980264 555841741 /nfs/dbraw/zinc/84/17/41/555841741.db2.gz MDZKJHQSJHYOHJ-GEVKYLTOSA-N -1 0 472.710 6.204 50 0 biogenic,in-vitro JKAARM Cc1ccc(-c2cc(C(F)F)nc3sc4c([n-]c(-c5ccc(OC(F)F)cc5)nc4=O)c32)cc1 ZINC000020602360 555843422 /nfs/dbraw/zinc/84/34/22/555843422.db2.gz KIYVSLBBOGHQDT-UHFFFAOYSA-N -1 0 485.462 6.714 50 0 JKAARM COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)ccc1OC(F)F ZINC000020604415 555845192 /nfs/dbraw/zinc/84/51/92/555845192.db2.gz MFEYGKPPURYLOZ-UHFFFAOYSA-N -1 0 493.388 5.723 50 0 JKAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4C(F)(F)F)c3)nn2)CC1 ZINC000020604363 555845219 /nfs/dbraw/zinc/84/52/19/555845219.db2.gz OOPLMLXQMVFYLU-UHFFFAOYSA-N -1 0 476.524 5.200 50 0 JKAARM COc1cc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)ccc1OCC(=O)[O-] ZINC000015016667 555857830 /nfs/dbraw/zinc/85/78/30/555857830.db2.gz YAXASSQLCXKMKX-UHFFFAOYSA-N -1 0 454.526 5.322 50 0 JKAARM C[C@@H]1Cc2cc(-c3cc(C(=O)[N-]c4c5ccccc5oc4C(=O)c4ccc(F)cc4)no3)ccc2O1 ZINC000011913903 555864098 /nfs/dbraw/zinc/86/40/98/555864098.db2.gz QWTKOIFXIULQST-OAHLLOKOSA-N -1 0 482.467 6.034 50 0 JKAARM [O-]c1c([C@H](c2cccs2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031032 555864583 /nfs/dbraw/zinc/86/45/83/555864583.db2.gz DEDJATAZLLMICP-QHCPKHFHSA-N -1 0 487.654 5.055 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011916800 555867549 /nfs/dbraw/zinc/86/75/49/555867549.db2.gz VBQPPXVNPOFOSZ-UHFFFAOYSA-N -1 0 466.449 5.342 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC1CCCC1 ZINC000015082348 555873233 /nfs/dbraw/zinc/87/32/33/555873233.db2.gz LKSJRETXSVCGBP-GOSISDBHSA-N -1 0 481.545 6.057 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccc(OC2CCCC2)c1 ZINC000015082276 555873354 /nfs/dbraw/zinc/87/33/54/555873354.db2.gz KBWWXVQADZFJDO-IBGZPJMESA-N -1 0 451.519 6.048 50 0 JKAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000012112489 555908638 /nfs/dbraw/zinc/90/86/38/555908638.db2.gz ABVVUWZWKXOXBW-UHFFFAOYSA-N -1 0 498.029 5.602 50 0 JKAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000012112485 555908829 /nfs/dbraw/zinc/90/88/29/555908829.db2.gz OTUFHIOWMRGQIU-UHFFFAOYSA-N -1 0 484.002 5.294 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112528 555909367 /nfs/dbraw/zinc/90/93/67/555909367.db2.gz LQPFMEIHAPTKBH-UHFFFAOYSA-N -1 0 477.611 5.257 50 0 JKAARM [O-]c1c([C@H](c2ccc(Cl)cc2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000022851995 555958837 /nfs/dbraw/zinc/95/88/37/555958837.db2.gz YDONDVCPQUYEGE-FQEVSTJZSA-N -1 0 462.962 5.558 50 0 JKAARM [O-]c1c([C@@H](c2cccc(Br)c2)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852016 555958880 /nfs/dbraw/zinc/95/88/80/555958880.db2.gz QAXGLIBCYOQVEB-MRXNPFEDSA-N -1 0 459.369 5.094 50 0 JKAARM [O-]c1c([C@H](c2ccc(Br)cc2)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852063 555958884 /nfs/dbraw/zinc/95/88/84/555958884.db2.gz GXFVITVIZHGHNZ-INIZCTEOSA-N -1 0 459.369 5.094 50 0 JKAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022852408 555959475 /nfs/dbraw/zinc/95/94/75/555959475.db2.gz SPFUHWJSHZRNQX-QFIPXVFZSA-N -1 0 489.576 5.116 50 0 JKAARM COc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@@H](C)C(=O)[O-])c1 ZINC000012364884 555959863 /nfs/dbraw/zinc/95/98/63/555959863.db2.gz XGAICFLKIPNUFE-IFVHXUSFSA-N -1 0 480.601 6.236 50 0 JKAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000022852545 555959940 /nfs/dbraw/zinc/95/99/40/555959940.db2.gz ZGMWEOIPDRSFJC-BWACUDIHSA-N -1 0 479.389 5.262 50 0 JKAARM O=S(=O)([N-]c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc2cccnc21 ZINC000012375245 555962187 /nfs/dbraw/zinc/96/21/87/555962187.db2.gz AOAKZCLAMDIYAV-UHFFFAOYSA-N -1 0 486.397 5.259 50 0 JKAARM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012380821 555969382 /nfs/dbraw/zinc/96/93/82/555969382.db2.gz JJCWPJGSCGYDJY-QGZVFWFLSA-N -1 0 479.583 5.017 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccc(Br)o4)cc3s2)cc1 ZINC000015729290 555969647 /nfs/dbraw/zinc/96/96/47/555969647.db2.gz WHHRHSGJJPGVKG-UHFFFAOYSA-N -1 0 492.376 5.013 50 0 JKAARM CC(C)(C)c1cc(-n2c3ccccc3nc2-c2cc(Cl)cc(Cl)c2[O-])cc(C(C)(C)C)c1O ZINC000012381555 555970177 /nfs/dbraw/zinc/97/01/77/555970177.db2.gz UYOCFKQGMQUNDM-UHFFFAOYSA-N -1 0 483.439 8.006 50 0 JKAARM C[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000012383382 555971570 /nfs/dbraw/zinc/97/15/70/555971570.db2.gz FHUXCSWUJDKAFP-RXYZOABWSA-N -1 0 463.327 5.470 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3cc(C)nc4cc(C(F)(F)F)ccc43)cc2)no1 ZINC000012414126 555977075 /nfs/dbraw/zinc/97/70/75/555977075.db2.gz HZSYOZFOSJGCQY-UHFFFAOYSA-N -1 0 462.453 5.403 50 0 JKAARM O=C([O-])c1nn2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(F)(F)F)c1Br ZINC000012428586 555979889 /nfs/dbraw/zinc/97/98/89/555979889.db2.gz YGPZCCUEJOARHY-UHFFFAOYSA-N -1 0 455.017 5.183 50 0 JKAARM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc2ccccc2o1 ZINC000012482429 555985789 /nfs/dbraw/zinc/98/57/89/555985789.db2.gz RNDOBXROJHCYQJ-UHFFFAOYSA-N -1 0 478.423 5.644 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000012536146 556009036 /nfs/dbraw/zinc/00/90/36/556009036.db2.gz HZNAWADCTDGOGX-UHFFFAOYSA-N -1 0 467.349 5.423 50 0 JKAARM CCc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000023118962 556012590 /nfs/dbraw/zinc/01/25/90/556012590.db2.gz UFNHHUGPUHPSQX-UHFFFAOYSA-N -1 0 468.629 5.106 50 0 JKAARM Cc1ccc(Nc2cc(Nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)nc(C)n2)cc1 ZINC000015838415 556021994 /nfs/dbraw/zinc/02/19/94/556021994.db2.gz JVHLHGQTUDIPMK-UHFFFAOYSA-N -1 0 481.528 5.660 50 0 JKAARM O=C(NCc1ccc(Cl)cc1)c1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12 ZINC000012546340 556022291 /nfs/dbraw/zinc/02/22/91/556022291.db2.gz IABCGHPXTPTDNL-UHFFFAOYSA-N -1 0 455.901 5.008 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)Nc1ccccc1C ZINC000015858760 556025930 /nfs/dbraw/zinc/02/59/30/556025930.db2.gz OFIMMJIAPWPSFI-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM CC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)cc1 ZINC000015858787 556026008 /nfs/dbraw/zinc/02/60/08/556026008.db2.gz OMZTUADSKDMMGP-UHFFFAOYSA-N -1 0 480.977 5.437 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)cc1C ZINC000015858790 556026034 /nfs/dbraw/zinc/02/60/34/556026034.db2.gz AYMLDXZIRWQWKT-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 ZINC000012548448 556026269 /nfs/dbraw/zinc/02/62/69/556026269.db2.gz LUOLFDDEGNKWOH-UHFFFAOYSA-N -1 0 499.639 5.171 50 0 JKAARM CCc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000015858793 556026314 /nfs/dbraw/zinc/02/63/14/556026314.db2.gz LDMAJIYLNLTIIV-UHFFFAOYSA-N -1 0 466.994 5.797 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CCC4CCCC4)cc3C)s2)cc1 ZINC000015862018 556034423 /nfs/dbraw/zinc/03/44/23/556034423.db2.gz KPZGBZCZQMUAJN-UHFFFAOYSA-N -1 0 457.621 5.623 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4cc(-c5cccs5)[nH]n4)cc3s2)cc1 ZINC000015861936 556034450 /nfs/dbraw/zinc/03/44/50/556034450.db2.gz YADVYMSDAFAOPI-UHFFFAOYSA-N -1 0 495.611 5.109 50 0 JKAARM COc1ccc(CCC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862028 556034471 /nfs/dbraw/zinc/03/44/71/556034471.db2.gz GGGYKWNIPOVBPQ-UHFFFAOYSA-N -1 0 495.626 5.294 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4ccc(Cl)cc4)cc3C)s2)cc1 ZINC000015862014 556034494 /nfs/dbraw/zinc/03/44/94/556034494.db2.gz UIZBOOTVINHGBQ-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3s2)cc1 ZINC000015861939 556034571 /nfs/dbraw/zinc/03/45/71/556034571.db2.gz ZFOALYFHQZWCFU-UHFFFAOYSA-N -1 0 491.516 5.677 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)[C@@H](C)Oc4ccccc4)cc3C)s2)cc1 ZINC000015862063 556034764 /nfs/dbraw/zinc/03/47/64/556034764.db2.gz OIAREGLCMOIDPS-QGZVFWFLSA-N -1 0 481.599 5.120 50 0 JKAARM Cc1nc(-c2cccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)c2)cs1 ZINC000012552251 556034874 /nfs/dbraw/zinc/03/48/74/556034874.db2.gz LBTWQURLPFRMAD-UHFFFAOYSA-N -1 0 455.586 5.233 50 0 JKAARM CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000012557795 556046028 /nfs/dbraw/zinc/04/60/28/556046028.db2.gz PALKWYDVXINJOE-UHFFFAOYSA-N -1 0 463.990 5.227 50 0 JKAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccc(Cl)c2)cc1 ZINC000023439023 556059395 /nfs/dbraw/zinc/05/93/95/556059395.db2.gz YJEHZWVSXYSXSW-UHFFFAOYSA-N -1 0 472.994 5.250 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3Cl)CCC[C@H]2[C@H]1c1ccccc1Cl ZINC000012564356 556060080 /nfs/dbraw/zinc/06/00/80/556060080.db2.gz ALXMPPFYNAVIHA-XJUJFRCLSA-N -1 0 457.357 5.981 50 0 JKAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000023445408 556062346 /nfs/dbraw/zinc/06/23/46/556062346.db2.gz HFBBVPBRTMVCCL-UHFFFAOYSA-N -1 0 487.021 5.074 50 0 JKAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccccc1Cl ZINC000015911118 556064847 /nfs/dbraw/zinc/06/48/47/556064847.db2.gz FMHIRASPQRSSOW-UHFFFAOYSA-N -1 0 481.021 6.434 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(SC(F)F)cc1 ZINC000015911090 556064880 /nfs/dbraw/zinc/06/48/80/556064880.db2.gz AKNCXFOVEGSWBU-UHFFFAOYSA-N -1 0 490.532 5.936 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1 ZINC000015911102 556064955 /nfs/dbraw/zinc/06/49/55/556064955.db2.gz NAJVIQBMLMJHQK-UHFFFAOYSA-N -1 0 487.354 5.384 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1C ZINC000015911208 556065144 /nfs/dbraw/zinc/06/51/44/556065144.db2.gz PHWIGOHANGFCAR-UHFFFAOYSA-N -1 0 474.630 6.397 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)c(C)c1 ZINC000015913163 556066152 /nfs/dbraw/zinc/06/61/52/556066152.db2.gz JECGLFIYMJCXEG-UHFFFAOYSA-N -1 0 471.022 6.307 50 0 JKAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1Cl ZINC000012569567 556072443 /nfs/dbraw/zinc/07/24/43/556072443.db2.gz VDDKEZRHMGBFFC-UHFFFAOYSA-N -1 0 483.804 6.317 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)sc1C(=O)[O-] ZINC000012576300 556076103 /nfs/dbraw/zinc/07/61/03/556076103.db2.gz CPHYKHVTMGKAGT-FJZFZJBXSA-N -1 0 465.525 6.229 50 0 JKAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000012583722 556081176 /nfs/dbraw/zinc/08/11/76/556081176.db2.gz PKIKYSXMVILTGR-UHFFFAOYSA-N -1 0 460.530 5.854 50 0 JKAARM COc1cccc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000012590319 556086273 /nfs/dbraw/zinc/08/62/73/556086273.db2.gz LFHIVUSXFNLXCM-RCCKNPSSSA-N -1 0 466.537 5.507 50 0 JKAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000015955747 556088130 /nfs/dbraw/zinc/08/81/30/556088130.db2.gz IDQAPIAOEFXQBG-JBEBIEQOSA-N -1 0 475.541 5.289 50 0 JKAARM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000015956390 556088386 /nfs/dbraw/zinc/08/83/86/556088386.db2.gz YVIZJMFPEQMUCW-PVPMGCCUSA-N -1 0 475.541 5.371 50 0 JKAARM CCN(Cc1ccccc1)Cn1c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2oc1=S ZINC000012618836 556091677 /nfs/dbraw/zinc/09/16/77/556091677.db2.gz WJIQCNDLKNJYHC-UHFFFAOYSA-N -1 0 483.615 5.253 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012659473 556100132 /nfs/dbraw/zinc/10/01/32/556100132.db2.gz CCUUSOQXZDZSLW-HUHVCOMUSA-N -1 0 457.611 5.757 50 0 biogenic JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC ZINC000012659237 556100153 /nfs/dbraw/zinc/10/01/53/556100153.db2.gz JHROCXRVEIGATO-BFTINFCKSA-N -1 0 451.648 5.035 50 0 biogenic JKAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)C/C2=C\c1ccccc1OC(F)F ZINC000012660172 556100687 /nfs/dbraw/zinc/10/06/87/556100687.db2.gz XFNKRZPCBRZYOL-XSFVSMFZSA-N -1 0 472.491 6.091 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000012661118 556101046 /nfs/dbraw/zinc/10/10/46/556101046.db2.gz RXRYPKODTJHOKM-LVXARBLLSA-N -1 0 458.514 5.261 50 0 biogenic JKAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000012779332 556111214 /nfs/dbraw/zinc/11/12/14/556111214.db2.gz ALPXGVLWUZAQSL-HHHXNRCGSA-N -1 0 492.579 5.780 50 0 JKAARM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012788478 556112922 /nfs/dbraw/zinc/11/29/22/556112922.db2.gz JHWJISGMRNNOHQ-HXUWFJFHSA-N -1 0 491.432 5.193 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000016045098 556126003 /nfs/dbraw/zinc/12/60/03/556126003.db2.gz BGJXUQSQBMUKKG-VKXNWWILSA-N -1 0 481.392 6.682 50 0 JKAARM CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)c1 ZINC000024193204 556126423 /nfs/dbraw/zinc/12/64/23/556126423.db2.gz UCIDYIFZFJWEHO-OAQYLSRUSA-N -1 0 487.936 5.209 50 0 JKAARM Cc1cccc(-n2[n-]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4ccccc4)C3=O)c2=O)c1C ZINC000016534094 556142499 /nfs/dbraw/zinc/14/24/99/556142499.db2.gz XAFCGRCSKJODKL-ONUIUJJFSA-N -1 0 492.579 5.187 50 0 JKAARM CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000016778341 556158802 /nfs/dbraw/zinc/15/88/02/556158802.db2.gz MZAYREAVRZNSEV-UHFFFAOYSA-N -1 0 496.614 5.338 50 0 JKAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)Nc1ccc(-c2ccccc2)cc1 ZINC000012985930 556179877 /nfs/dbraw/zinc/17/98/77/556179877.db2.gz NQWWRRDFYDYZFW-UHFFFAOYSA-N -1 0 489.409 6.010 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1C ZINC000016955989 556186791 /nfs/dbraw/zinc/18/67/91/556186791.db2.gz VYCHLGHWGMLNIS-UHFFFAOYSA-N -1 0 488.491 5.690 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000016955849 556186936 /nfs/dbraw/zinc/18/69/36/556186936.db2.gz NCRYGBNKDQPEFW-UHFFFAOYSA-N -1 0 488.491 5.690 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000016956224 556187289 /nfs/dbraw/zinc/18/72/89/556187289.db2.gz JXCODLROBQEVRF-UHFFFAOYSA-N -1 0 484.912 5.908 50 0 JKAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017026563 556206561 /nfs/dbraw/zinc/20/65/61/556206561.db2.gz ALHXXAYYTSMQMQ-UHFFFAOYSA-N -1 0 475.574 5.390 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCSc2ccc(C)cc2)ccc1Cl ZINC000025395524 556212951 /nfs/dbraw/zinc/21/29/51/556212951.db2.gz MAXPDANNZXJCKW-UHFFFAOYSA-N -1 0 491.034 5.579 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000017123555 556220234 /nfs/dbraw/zinc/22/02/34/556220234.db2.gz QFJBREBFSWCYLL-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000017206720 556240715 /nfs/dbraw/zinc/24/07/15/556240715.db2.gz DALDMXXZLNIVCH-UHFFFAOYSA-N -1 0 496.592 6.583 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000017207186 556241100 /nfs/dbraw/zinc/24/11/00/556241100.db2.gz WEPLQLPIFJQINV-UHFFFAOYSA-N -1 0 496.592 6.583 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)c1 ZINC000017208115 556241424 /nfs/dbraw/zinc/24/14/24/556241424.db2.gz JPPTWJXIECHEOE-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2)c1 ZINC000017208230 556241474 /nfs/dbraw/zinc/24/14/74/556241474.db2.gz OSKOOOHFWMWSMQ-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Br)c1 ZINC000017208232 556241521 /nfs/dbraw/zinc/24/15/21/556241521.db2.gz DZZKVNTYTTVCMU-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000017208656 556241560 /nfs/dbraw/zinc/24/15/60/556241560.db2.gz BRVLUYYTRQJHFJ-UHFFFAOYSA-N -1 0 478.883 5.846 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000017246465 556246553 /nfs/dbraw/zinc/24/65/53/556246553.db2.gz WFGYHKNYUFXJNT-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000017246418 556246575 /nfs/dbraw/zinc/24/65/75/556246575.db2.gz VCFLMLUUXQHHQN-UHFFFAOYSA-N -1 0 463.321 5.620 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000017249011 556247602 /nfs/dbraw/zinc/24/76/02/556247602.db2.gz KTTAGPCMLRJNLG-UHFFFAOYSA-N -1 0 494.882 5.726 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Br)c2)cc1C ZINC000017251085 556247928 /nfs/dbraw/zinc/24/79/28/556247928.db2.gz QKPKDZSURWRXAZ-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1 ZINC000017315613 556257786 /nfs/dbraw/zinc/25/77/86/556257786.db2.gz UFIWAUJOYKIZNJ-UHFFFAOYSA-N -1 0 494.661 5.703 50 0 JKAARM Cc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)c1 ZINC000013097188 556293182 /nfs/dbraw/zinc/29/31/82/556293182.db2.gz HMWFYBOSUZTVKF-UHFFFAOYSA-N -1 0 479.385 5.429 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000027579966 556299947 /nfs/dbraw/zinc/29/99/47/556299947.db2.gz KRDWBOUAWDQGPW-UHFFFAOYSA-N -1 0 484.483 6.417 50 0 JKAARM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(OCC)cc3)on2)cc1 ZINC000027581255 556300136 /nfs/dbraw/zinc/30/01/36/556300136.db2.gz WDSHKRBIMLHGHH-UHFFFAOYSA-N -1 0 496.519 6.369 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1C ZINC000027580469 556300230 /nfs/dbraw/zinc/30/02/30/556300230.db2.gz LQKYRFOPNOZKGF-UHFFFAOYSA-N -1 0 468.484 6.635 50 0 JKAARM Cc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(F)cc3)no2)cc1C ZINC000027580473 556300235 /nfs/dbraw/zinc/30/02/35/556300235.db2.gz NZAQPUXVODJIQC-UHFFFAOYSA-N -1 0 454.457 6.327 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(F)cc3)no2)cc1 ZINC000027583254 556300463 /nfs/dbraw/zinc/30/04/63/556300463.db2.gz JFHQSSSIYRGVRW-UHFFFAOYSA-N -1 0 470.456 6.109 50 0 JKAARM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000027584730 556300636 /nfs/dbraw/zinc/30/06/36/556300636.db2.gz IZLPGTMSBMWJIA-UHFFFAOYSA-N -1 0 471.900 6.554 50 0 JKAARM Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2[O-])c(Cc2cccc(C(C)C)c2)c1 ZINC000018194780 556301898 /nfs/dbraw/zinc/30/18/98/556301898.db2.gz SBYJQFRSJSOVJH-UHFFFAOYSA-N -1 0 477.453 7.004 50 0 JKAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H](SCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000013118751 556331083 /nfs/dbraw/zinc/33/10/83/556331083.db2.gz AWQHPRFWKZEPNG-HXUWFJFHSA-N -1 0 467.465 5.279 50 0 JKAARM CC(C)(C)OC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)[O-] ZINC000028630903 556338142 /nfs/dbraw/zinc/33/81/42/556338142.db2.gz OYXZPXVCRAAKCM-AREMUKBSSA-N -1 0 497.595 5.244 50 0 JKAARM Cc1cc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000013129212 556351292 /nfs/dbraw/zinc/35/12/92/556351292.db2.gz IGVMLQIIHJQJMI-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM Cc1ccc(-c2c/c(=N\CCCCCCCCCCC(=O)[O-])c3cc(Cl)ccc3o2)cc1 ZINC000019793960 556373383 /nfs/dbraw/zinc/37/33/83/556373383.db2.gz QCOAMBJKHXIYRA-RMLRFSFXSA-N -1 0 454.010 7.558 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000032069798 556413025 /nfs/dbraw/zinc/41/30/25/556413025.db2.gz NMQPUMMZPYRIDF-OAQYLSRUSA-N -1 0 469.316 5.106 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032096647 556415598 /nfs/dbraw/zinc/41/55/98/556415598.db2.gz KSUAPVOUMRUOHC-SANMLTNESA-N -1 0 498.608 5.305 50 0 JKAARM COc1cc(/C=C2\SC3(CCCCC3)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000032598068 556449774 /nfs/dbraw/zinc/44/97/74/556449774.db2.gz IBXNPGRDOPQLHH-STZFKDTASA-N -1 0 473.978 5.593 50 0 JKAARM C[C@@H](NC(=O)CSc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000032724067 556476002 /nfs/dbraw/zinc/47/60/02/556476002.db2.gz TWRCTAFQELAWTE-OINFGROXSA-N -1 0 494.705 5.279 50 0 JKAARM C[C@H](NC(=O)CSc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000032724069 556476087 /nfs/dbraw/zinc/47/60/87/556476087.db2.gz TWRCTAFQELAWTE-IULQDFHISA-N -1 0 494.705 5.279 50 0 JKAARM Cc1ccc(C)c(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000032946661 556561541 /nfs/dbraw/zinc/56/15/41/556561541.db2.gz BQXRGKXBCYCKLD-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM Cc1ccccc1-n1c2nc(SCC(=O)Nc3c(C)cccc3C)[n-]c(=O)c2sc1=S ZINC000032948470 556563927 /nfs/dbraw/zinc/56/39/27/556563927.db2.gz CDZUDLZCENUMPV-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000067912742 560049408 /nfs/dbraw/zinc/04/94/08/560049408.db2.gz HFGSQOYIOKBQOW-XMDNNQCLSA-N -1 0 472.710 6.060 50 0 biogenic,in-vitro JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000003964585 562931154 /nfs/dbraw/zinc/93/11/54/562931154.db2.gz RTJNDKQZNZBGKO-VHZDIQKTSA-N -1 0 472.710 6.493 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)c(F)c3)no2)cc1 ZINC000008586542 562940993 /nfs/dbraw/zinc/94/09/93/562940993.db2.gz QMNXLIZDHLXJIF-UHFFFAOYSA-N -1 0 470.456 6.027 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(Cl)cc3)no2)cc1 ZINC000008586537 562941023 /nfs/dbraw/zinc/94/10/23/562941023.db2.gz PQRZIDRNIYIZTM-UHFFFAOYSA-N -1 0 472.884 6.233 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000008590099 562942588 /nfs/dbraw/zinc/94/25/88/562942588.db2.gz KGCOGEJGZKJKCE-HSZRJFAPSA-N -1 0 479.964 5.528 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Br)c(C)c1)CC2 ZINC000008609254 562947288 /nfs/dbraw/zinc/94/72/88/562947288.db2.gz JODYOJFZDVVPKO-LJQANCHMSA-N -1 0 491.382 5.161 50 0 JKAARM COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008686914 562953111 /nfs/dbraw/zinc/95/31/11/562953111.db2.gz DVLMVJILWFSRPS-UHFFFAOYSA-N -1 0 476.529 5.554 50 0 aggregator JKAARM COc1ccc(-c2csc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000008686972 562953179 /nfs/dbraw/zinc/95/31/79/562953179.db2.gz VJHUYDLSNDDSJO-UHFFFAOYSA-N -1 0 479.583 5.180 50 0 aggregator JKAARM O=C([O-])CC/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1 ZINC000009630999 562956707 /nfs/dbraw/zinc/95/67/07/562956707.db2.gz IKRFYXITZMEOMH-SAPNQHFASA-N -1 0 462.958 6.607 50 0 JKAARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000012659646 562960740 /nfs/dbraw/zinc/96/07/40/562960740.db2.gz JLOSNFHQVDBULL-XMHGGMMESA-N -1 0 497.576 6.182 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558228 562974236 /nfs/dbraw/zinc/97/42/36/562974236.db2.gz GMYJAKLQPZGTFL-GDTSQONKSA-N -1 0 470.694 6.701 50 0 JKAARM Cc1c(C(=O)[O-])sc2[nH]c(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(=O)c12 ZINC000054138217 569589282 /nfs/dbraw/zinc/58/92/82/569589282.db2.gz PIQCYFCHMKWRJI-UHFFFAOYSA-N -1 0 488.631 5.679 50 0 JKAARM COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000008438765 569589729 /nfs/dbraw/zinc/58/97/29/569589729.db2.gz YYSYYYQVAGAAIC-UUYOSTAYSA-N -1 0 495.940 5.867 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008454438 569591444 /nfs/dbraw/zinc/59/14/44/569591444.db2.gz BZJCEZWLZHOVFN-SFTDATJTSA-N -1 0 483.630 6.469 50 0 JKAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695430 569593465 /nfs/dbraw/zinc/59/34/65/569593465.db2.gz AFTPUTHFBRVMRI-BUVJYCSZSA-N -1 0 469.516 5.244 50 0 JKAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000008717796 569596779 /nfs/dbraw/zinc/59/67/79/569596779.db2.gz MWJOWUYEWYOJSE-SNVBAGLBSA-N -1 0 472.111 5.073 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000032962038 569602616 /nfs/dbraw/zinc/60/26/16/569602616.db2.gz YMCSFTNZOYJHDS-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000032962153 569602810 /nfs/dbraw/zinc/60/28/10/569602810.db2.gz NZPOYZOCFNNISQ-UHFFFAOYSA-N -1 0 492.641 5.871 50 0 JKAARM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000032962138 569602852 /nfs/dbraw/zinc/60/28/52/569602852.db2.gz SVZORCIDQWLXHX-UHFFFAOYSA-N -1 0 460.640 5.503 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000032962155 569603056 /nfs/dbraw/zinc/60/30/56/569603056.db2.gz HCHMKFMRBDOIKP-UHFFFAOYSA-N -1 0 466.603 5.609 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5c(s4)c(Cl)ccc5Cl)sc3c2s1 ZINC000062007437 569610253 /nfs/dbraw/zinc/61/02/53/569610253.db2.gz FHDJQITVTRMDOL-UHFFFAOYSA-N -1 0 455.442 7.288 50 0 JKAARM COc1ccc(Cl)c2sc([N-]c3nc4ccc5nc(SC)sc5c4s3)nc21 ZINC000062007433 569610300 /nfs/dbraw/zinc/61/03/00/569610300.db2.gz GKKWODOUDDCIOF-UHFFFAOYSA-N -1 0 451.023 6.643 50 0 JKAARM CSc1nc2ccc3nc([N-]c4nc5c(cccc5Br)s4)sc3c2s1 ZINC000062007442 569610317 /nfs/dbraw/zinc/61/03/17/569610317.db2.gz SFSHDCFJGLVPTJ-UHFFFAOYSA-N -1 0 465.448 6.744 50 0 JKAARM O=C([O-])c1cc(N2CCC(Cc3ccccc3)CC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000033007191 569615373 /nfs/dbraw/zinc/61/53/73/569615373.db2.gz APEMXQQNADARMD-UHFFFAOYSA-N -1 0 485.005 5.298 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])c1 ZINC000033007227 569615481 /nfs/dbraw/zinc/61/54/81/569615481.db2.gz GNMZNFXZBPKOBA-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033007840 569615635 /nfs/dbraw/zinc/61/56/35/569615635.db2.gz UQPJYABKKGNUIR-UHFFFAOYSA-N -1 0 487.990 5.320 50 0 JKAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007997 569615838 /nfs/dbraw/zinc/61/58/38/569615838.db2.gz RWYFAALJGNDELV-UHFFFAOYSA-N -1 0 479.992 5.073 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033010361 569616673 /nfs/dbraw/zinc/61/66/73/569616673.db2.gz MTRRFHVGGYFDIB-UHFFFAOYSA-N -1 0 480.996 5.350 50 0 JKAARM Cc1cccc(C(=O)Nc2ccc3nc(N4CC[C@@H](c5ccccc5C)C4)cc(C(=O)[O-])c3c2)c1 ZINC000033010318 569616737 /nfs/dbraw/zinc/61/67/37/569616737.db2.gz OHYWFLZOZSNIAH-OAQYLSRUSA-N -1 0 465.553 5.796 50 0 JKAARM CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557938 569618283 /nfs/dbraw/zinc/61/82/83/569618283.db2.gz SMQXDEDUWBAPGZ-NRFANRHFSA-N -1 0 498.398 5.343 50 0 JKAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(C(C)C)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064558237 569618634 /nfs/dbraw/zinc/61/86/34/569618634.db2.gz MPAWLOAXFHZYCS-HSZRJFAPSA-N -1 0 465.546 5.589 50 0 JKAARM Cc1c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cnn1C(F)F ZINC000033124037 569621716 /nfs/dbraw/zinc/62/17/16/569621716.db2.gz YDBVMTLOFNCRFD-UHFFFAOYSA-N -1 0 454.911 5.318 50 0 JKAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)c(Cl)c2)cn1 ZINC000033169102 569621751 /nfs/dbraw/zinc/62/17/51/569621751.db2.gz GQXGCXVXZZTGQH-UHFFFAOYSA-N -1 0 453.376 5.287 50 0 JKAARM N=C1S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000033286234 569622317 /nfs/dbraw/zinc/62/23/17/569622317.db2.gz IABCPWYPLAWQMB-XEOSYTLBSA-N -1 0 459.310 6.007 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000033348878 569624890 /nfs/dbraw/zinc/62/48/90/569624890.db2.gz UCBUARSUACLJAZ-IWIPYMOSSA-N -1 0 498.922 5.868 50 0 JKAARM O=C1S/C(=C/c2cc(Br)cc(Cl)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000033349274 569625039 /nfs/dbraw/zinc/62/50/39/569625039.db2.gz RRZNJECPGVVFTD-MKMNVTDBSA-N -1 0 459.148 5.698 50 0 JKAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000033429067 569626252 /nfs/dbraw/zinc/62/62/52/569626252.db2.gz AFTPUTHFBRVMRI-DUAIZULJSA-N -1 0 469.516 5.244 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000033492546 569626969 /nfs/dbraw/zinc/62/69/69/569626969.db2.gz BGJXUQSQBMUKKG-QYQIINSRSA-N -1 0 481.392 6.682 50 0 JKAARM Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000064774732 569627011 /nfs/dbraw/zinc/62/70/11/569627011.db2.gz PZHJXASBTNTXAS-SFHVURJKSA-N -1 0 499.596 5.233 50 0 JKAARM CCc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774734 569627027 /nfs/dbraw/zinc/62/70/27/569627027.db2.gz POHBBHROHMEGQW-KRWDZBQOSA-N -1 0 499.596 5.178 50 0 JKAARM CCCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795287 569629938 /nfs/dbraw/zinc/62/99/38/569629938.db2.gz NFXSPECZUDWDNS-QGZVFWFLSA-N -1 0 451.544 5.775 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OCC ZINC000064795330 569630045 /nfs/dbraw/zinc/63/00/45/569630045.db2.gz VCCHVFPZCVUYDA-KRWDZBQOSA-N -1 0 451.544 5.775 50 0 JKAARM CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OCC ZINC000064795332 569630046 /nfs/dbraw/zinc/63/00/46/569630046.db2.gz VCCHVFPZCVUYDA-QGZVFWFLSA-N -1 0 451.544 5.775 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)ccc1OC(C)C ZINC000064795735 569630049 /nfs/dbraw/zinc/63/00/49/569630049.db2.gz QYWNQLIBJFDOSD-MRXNPFEDSA-N -1 0 471.962 6.037 50 0 JKAARM CCCCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OC ZINC000064795431 569630067 /nfs/dbraw/zinc/63/00/67/569630067.db2.gz GSTAAWAFXUZWKN-KRWDZBQOSA-N -1 0 451.544 5.775 50 0 JKAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1OC ZINC000064795617 569630072 /nfs/dbraw/zinc/63/00/72/569630072.db2.gz KKGFLUIHSDRQLY-AWEZNQCLSA-N -1 0 473.934 5.267 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC(C)C ZINC000064796497 569630187 /nfs/dbraw/zinc/63/01/87/569630187.db2.gz TWGOZHSZYROBHP-INIZCTEOSA-N -1 0 455.507 5.522 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(F)c(Br)c2)CC(=O)N3)cc1 ZINC000064796981 569630246 /nfs/dbraw/zinc/63/02/46/569630246.db2.gz RHMYBDIJVGHIMO-ZDUSSCGKSA-N -1 0 476.323 5.498 50 0 JKAARM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(OC)cc1 ZINC000064796732 569630260 /nfs/dbraw/zinc/63/02/60/569630260.db2.gz NNEWCOXSZUSAHJ-MRXNPFEDSA-N -1 0 453.516 5.003 50 0 JKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1OC ZINC000064796838 569630271 /nfs/dbraw/zinc/63/02/71/569630271.db2.gz KBLJZYDTYOKEKW-MRXNPFEDSA-N -1 0 453.516 5.003 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC(C)C ZINC000064797117 569630277 /nfs/dbraw/zinc/63/02/77/569630277.db2.gz QLOYBSRHJHGQQB-SFHVURJKSA-N -1 0 481.570 5.782 50 0 JKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC ZINC000064796911 569630289 /nfs/dbraw/zinc/63/02/89/569630289.db2.gz RKLVGPFGGURMHX-MRXNPFEDSA-N -1 0 453.516 5.003 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC4CCCC4)c(OC)c2)CC(=O)N3)cc1 ZINC000064797112 569630290 /nfs/dbraw/zinc/63/02/90/569630290.db2.gz LFXZNLCFIHNDMX-IBGZPJMESA-N -1 0 493.581 5.926 50 0 JKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1OC ZINC000064796835 569630291 /nfs/dbraw/zinc/63/02/91/569630291.db2.gz KBLJZYDTYOKEKW-INIZCTEOSA-N -1 0 453.516 5.003 50 0 JKAARM CCCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OC ZINC000064796591 569630300 /nfs/dbraw/zinc/63/03/00/569630300.db2.gz ILWVQGBHFBQWIE-MRXNPFEDSA-N -1 0 455.507 5.524 50 0 JKAARM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797321 569630374 /nfs/dbraw/zinc/63/03/74/569630374.db2.gz HNUMCFIUYJQAAC-MRXNPFEDSA-N -1 0 455.507 5.524 50 0 JKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(F)c(Br)c1 ZINC000064797518 569630386 /nfs/dbraw/zinc/63/03/86/569630386.db2.gz KLWSXSNFHZOHMK-GFCCVEGCSA-N -1 0 464.287 5.628 50 0 JKAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC ZINC000064797432 569630391 /nfs/dbraw/zinc/63/03/91/569630391.db2.gz PZTZDZICSOYWQW-MRXNPFEDSA-N -1 0 455.507 5.524 50 0 JKAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cc(Br)ccc1F ZINC000064797571 569630399 /nfs/dbraw/zinc/63/03/99/569630399.db2.gz IKXBWOGEGDODLF-CYBMUJFWSA-N -1 0 464.287 5.628 50 0 JKAARM CCCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC ZINC000064797434 569630403 /nfs/dbraw/zinc/63/04/03/569630403.db2.gz VVAUKIYOFNNOCP-KRWDZBQOSA-N -1 0 469.534 5.914 50 0 JKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OC(C)C ZINC000064797681 569630404 /nfs/dbraw/zinc/63/04/04/569630404.db2.gz GDLSSZCPTLDEEN-QGZVFWFLSA-N -1 0 469.534 5.912 50 0 JKAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC ZINC000064797430 569630407 /nfs/dbraw/zinc/63/04/07/569630407.db2.gz PZTZDZICSOYWQW-INIZCTEOSA-N -1 0 455.507 5.524 50 0 JKAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccc(Cl)cc3)C[C@@H]2C)c1 ZINC000064820347 569636128 /nfs/dbraw/zinc/63/61/28/569636128.db2.gz VWKFWGCKORSFEI-SFHVURJKSA-N -1 0 463.965 5.314 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820711 569636191 /nfs/dbraw/zinc/63/61/91/569636191.db2.gz HDBAAWPOFBXHKE-UHFFFAOYSA-N -1 0 481.390 6.206 50 0 JKAARM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000064843278 569637807 /nfs/dbraw/zinc/63/78/07/569637807.db2.gz DPJMUQBKCJERRQ-UHFFFAOYSA-N -1 0 479.602 5.265 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2N2CCCN(Cc3ccccc3C)C2=O)c1 ZINC000034737740 569654495 /nfs/dbraw/zinc/65/44/95/569654495.db2.gz MHEJNRARZDEHKD-UHFFFAOYSA-N -1 0 463.603 5.245 50 0 JKAARM Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000034737690 569654511 /nfs/dbraw/zinc/65/45/11/569654511.db2.gz WHVYMWQZESINBT-UHFFFAOYSA-N -1 0 487.984 5.421 50 0 JKAARM CC(C)CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059775 569655045 /nfs/dbraw/zinc/65/50/45/569655045.db2.gz PVDSHBOAOWXYOL-UHFFFAOYSA-N -1 0 480.011 5.166 50 0 JKAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000065060304 569655374 /nfs/dbraw/zinc/65/53/74/569655374.db2.gz LVINXURQFYUUIL-UHFFFAOYSA-N -1 0 458.483 5.217 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc1Cl ZINC000065098001 569661705 /nfs/dbraw/zinc/66/17/05/569661705.db2.gz XJZMAYIFNQVNGT-UHFFFAOYSA-N -1 0 482.370 5.581 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)sc1C(=O)N1CCCC1 ZINC000065117008 569666809 /nfs/dbraw/zinc/66/68/09/569666809.db2.gz HUQFOHZISAVDBD-UHFFFAOYSA-N -1 0 486.015 5.009 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)sc1C(=O)N1CCCC1 ZINC000065116931 569666898 /nfs/dbraw/zinc/66/68/98/569666898.db2.gz JCDUXSNLWHONIT-UHFFFAOYSA-N -1 0 482.052 5.179 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)sc1C(=O)N1CCCCC1 ZINC000065117136 569667086 /nfs/dbraw/zinc/66/70/86/569667086.db2.gz BKEJBIIRMZKIAN-UHFFFAOYSA-N -1 0 489.688 5.730 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2)sc1C(=O)N1CCCCC1 ZINC000065117115 569667095 /nfs/dbraw/zinc/66/70/95/569667095.db2.gz QUVLKZAFDGFNLQ-UHFFFAOYSA-N -1 0 496.079 5.569 50 0 JKAARM O=C(c1ccc(S(=O)(=O)[O-])cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000034914576 569671699 /nfs/dbraw/zinc/67/16/99/569671699.db2.gz BVNCVADDZKIAMF-LTXCWQKFSA-N -1 0 472.566 5.370 50 0 JKAARM Cc1cc(=O)oc2c1ccc([O-])c2C1=Nc2ccccc2S[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000068734566 569691915 /nfs/dbraw/zinc/69/19/15/569691915.db2.gz MEZOLHZZANVSEH-XMMPIXPASA-N -1 0 456.567 6.231 50 0 JKAARM O=C([O-])CC/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1 ZINC000069130269 569692646 /nfs/dbraw/zinc/69/26/46/569692646.db2.gz STSINNGGSIFPCG-HKWRFOASSA-N -1 0 466.566 6.009 50 0 JKAARM CC(C)C(=O)Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422733 569692824 /nfs/dbraw/zinc/69/28/24/569692824.db2.gz VNMLVUSUIQTWAT-UHFFFAOYSA-N -1 0 493.554 5.169 50 0 JKAARM O=S(=O)([N-]c1cccc(Br)c1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557631 569703242 /nfs/dbraw/zinc/70/32/42/569703242.db2.gz WYGBJBMHBRDJHW-UHFFFAOYSA-N -1 0 454.371 5.019 50 0 JKAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000071405185 569697142 /nfs/dbraw/zinc/69/71/42/569697142.db2.gz SPJVHAQEQMRTBO-JUVSHSJESA-N -1 0 472.372 5.510 50 0 JKAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4Cl)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000071924261 569699247 /nfs/dbraw/zinc/69/92/47/569699247.db2.gz BMOQMSCPLOYABA-HXUWFJFHSA-N -1 0 472.328 5.093 50 0 JKAARM COc1ccc2cc([C@H]3CC(c4ccccc4Cl)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000071924243 569699310 /nfs/dbraw/zinc/69/93/10/569699310.db2.gz BOIGTOZCLUVKMZ-HXUWFJFHSA-N -1 0 472.328 5.093 50 0 JKAARM Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)[N-]c2nonc2-c2ccccc2)cc1 ZINC000072238695 569701075 /nfs/dbraw/zinc/70/10/75/569701075.db2.gz FSPRSJSXMJFZBB-UHFFFAOYSA-N -1 0 468.538 6.412 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3N[C@@H](c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2)c(=O)s1 ZINC000035622409 569705641 /nfs/dbraw/zinc/70/56/41/569705641.db2.gz RTQDQQBPTMNTMW-MRXNPFEDSA-N -1 0 499.470 5.459 50 0 JKAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(CCCc4ccccc4)C3=O)c2=O)c1C ZINC000035829431 569712871 /nfs/dbraw/zinc/71/28/71/569712871.db2.gz YCARUPASBAHNMM-PLRJNAJWSA-N -1 0 492.579 5.387 50 0 JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3coc5ccc(C)cc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085879185 569716201 /nfs/dbraw/zinc/71/62/01/569716201.db2.gz DSZYJMVYZVMKCX-KRWDZBQOSA-N -1 0 496.471 5.030 50 0 biogenic JKAARM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000089568306 569718931 /nfs/dbraw/zinc/71/89/31/569718931.db2.gz RSXULVXPJUJBNT-UHFFFAOYSA-N -1 0 463.540 5.404 50 0 JKAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(-c3ccco3)nn12 ZINC000090485767 569720970 /nfs/dbraw/zinc/72/09/70/569720970.db2.gz CJWYRFPUPJODAF-NRFANRHFSA-N -1 0 492.004 5.321 50 0 JKAARM COC(=O)c1c(NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)sc(C)c1-c1ccccc1 ZINC000095100155 569721711 /nfs/dbraw/zinc/72/17/11/569721711.db2.gz SOWLAHXTBIZKCJ-UHFFFAOYSA-N -1 0 467.399 6.331 50 0 JKAARM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095483653 569725081 /nfs/dbraw/zinc/72/50/81/569725081.db2.gz ILOGOOOAUQKWMJ-ZLNRFVROSA-N -1 0 477.358 5.063 50 0 JKAARM COC(=O)C[C@@H](c1ccc(Br)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096113724 569732972 /nfs/dbraw/zinc/73/29/72/569732972.db2.gz AEKRXLDADGKGAT-KRWDZBQOSA-N -1 0 495.325 5.329 50 0 biogenic JKAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1OC(C)C ZINC000096113876 569733161 /nfs/dbraw/zinc/73/31/61/569733161.db2.gz RGDPUDAXAQLXGJ-SFHVURJKSA-N -1 0 488.492 5.108 50 0 biogenic JKAARM COC(=O)C[C@H](c1cccc2ccccc21)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116263 569735216 /nfs/dbraw/zinc/73/52/16/569735216.db2.gz TTXPXVQSVVYHIM-HSZRJFAPSA-N -1 0 466.489 5.719 50 0 biogenic JKAARM COC(=O)C[C@@H](c1cccc2ccccc21)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116262 569735288 /nfs/dbraw/zinc/73/52/88/569735288.db2.gz TTXPXVQSVVYHIM-QHCPKHFHSA-N -1 0 466.489 5.719 50 0 biogenic JKAARM O=C([O-])CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Sc1ccc(Cl)cc1 ZINC000096174850 569737029 /nfs/dbraw/zinc/73/70/29/569737029.db2.gz VAULNRMHUJFUGY-QFIPXVFZSA-N -1 0 477.434 7.277 50 0 JKAARM CCOc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000097898290 569745833 /nfs/dbraw/zinc/74/58/33/569745833.db2.gz YSCYXSDOWPAEQS-WCTVFOPTSA-N -1 0 488.496 5.032 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000036007017 569747644 /nfs/dbraw/zinc/74/76/44/569747644.db2.gz RXXCHODPTODWQX-QXIHQKPUSA-N -1 0 490.559 5.377 50 0 JKAARM CCCCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([O-])c2ccccc21 ZINC000100331725 569757587 /nfs/dbraw/zinc/75/75/87/569757587.db2.gz UMHLUXZETXYINC-UHFFFAOYSA-N -1 0 467.978 5.927 50 0 JKAARM CCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100512649 569763329 /nfs/dbraw/zinc/76/33/29/569763329.db2.gz UNNLBABPGALERJ-UHFFFAOYSA-N -1 0 463.603 5.294 50 0 JKAARM O=C(C(=C([O-])c1cccs1)[C@H](Nc1ccc2ccccc2c1)c1ccccc1)C(F)(F)F ZINC000100544163 569764154 /nfs/dbraw/zinc/76/41/54/569764154.db2.gz AANPADBWYJHSEW-FGZHOGPDSA-N -1 0 453.485 6.685 50 0 JKAARM Cc1cccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c1C ZINC000100721372 569767578 /nfs/dbraw/zinc/76/75/78/569767578.db2.gz PISVECFSJKJLAU-LEAFIULHSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000100721613 569767779 /nfs/dbraw/zinc/76/77/79/569767779.db2.gz DARHRRKLYKFAEK-LSYYVWMOSA-N -1 0 477.516 5.375 50 0 JKAARM Cc1cc(Cl)ccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 ZINC000100721659 569767832 /nfs/dbraw/zinc/76/78/32/569767832.db2.gz JCMZHKDSHQCMEQ-SHQCIBLASA-N -1 0 497.934 5.720 50 0 JKAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000036357807 569771915 /nfs/dbraw/zinc/77/19/15/569771915.db2.gz UTSYVUPNHPEXFZ-QFIPXVFZSA-N -1 0 473.337 5.025 50 0 JKAARM Cc1cc(-c2c(C)[n-]n(-c3nc(-c4sccc4Cl)cs3)c2=O)n(-c2ccc(F)cc2F)n1 ZINC000100912119 569775393 /nfs/dbraw/zinc/77/53/93/569775393.db2.gz QRNKGPSEHMNFNO-UHFFFAOYSA-N -1 0 489.960 6.164 50 0 JKAARM Cc1ccc2nc(-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)o3)cc(C(=O)[O-])c2c1 ZINC000036636097 569779483 /nfs/dbraw/zinc/77/94/83/569779483.db2.gz JIVNBXFCYAOWRC-UHFFFAOYSA-N -1 0 465.349 7.206 50 0 JKAARM O=C(Nc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000036831629 569780874 /nfs/dbraw/zinc/78/08/74/569780874.db2.gz XKVJMJYAWAAVEP-UHFFFAOYSA-N -1 0 477.567 5.054 50 0 JKAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccc(Cl)cc2)C1 ZINC000101494938 569799932 /nfs/dbraw/zinc/79/99/32/569799932.db2.gz LAWPGXBEVVHHFQ-JOCHJYFZSA-N -1 0 489.984 5.302 50 0 JKAARM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494870 569799968 /nfs/dbraw/zinc/79/99/68/569799968.db2.gz FKYYRRWOTBVZIC-RUZDIDTESA-N -1 0 497.620 5.772 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495084 569800113 /nfs/dbraw/zinc/80/01/13/569800113.db2.gz PTUINWDCJLRVGI-OAQYLSRUSA-N -1 0 475.957 5.243 50 0 JKAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=S ZINC000101495348 569800307 /nfs/dbraw/zinc/80/03/07/569800307.db2.gz XBDAMMUUZSEPLV-QGZVFWFLSA-N -1 0 488.432 5.279 50 0 JKAARM Cc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=Nc3ccccc3S2)s1 ZINC000101495225 569800333 /nfs/dbraw/zinc/80/03/33/569800333.db2.gz MXOCOOQGPKHKGM-HXUWFJFHSA-N -1 0 496.013 5.613 50 0 JKAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C(C)C)cc3)C2)c(=O)[nH]c1=O ZINC000101495513 569800397 /nfs/dbraw/zinc/80/03/97/569800397.db2.gz QNFJUOFRYXVTCX-QFIPXVFZSA-N -1 0 463.603 5.524 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000101501387 569800862 /nfs/dbraw/zinc/80/08/62/569800862.db2.gz VHGKUWNIOFFBDE-UHFFFAOYSA-N -1 0 468.966 5.243 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000101501839 569801007 /nfs/dbraw/zinc/80/10/07/569801007.db2.gz GFZXJYZWPMFZEI-UHFFFAOYSA-N -1 0 452.967 5.543 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000101501841 569801063 /nfs/dbraw/zinc/80/10/63/569801063.db2.gz KTZUGNKSPODCDI-UHFFFAOYSA-N -1 0 456.930 5.374 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(Oc2ccc(O)cc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528898 569802307 /nfs/dbraw/zinc/80/23/07/569802307.db2.gz LFDWCUHMDBIXPE-MUUNZHRXSA-N -1 0 495.531 5.719 50 0 JKAARM CC(C)(SCCc1ccncc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528866 569802385 /nfs/dbraw/zinc/80/23/85/569802385.db2.gz HGHPMXLJJCFZBU-DEOSSOPVSA-N -1 0 476.598 5.128 50 0 JKAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766613 569804675 /nfs/dbraw/zinc/80/46/75/569804675.db2.gz WLQXIXYLOXQXRX-QFIPXVFZSA-N -1 0 477.586 5.114 50 0 JKAARM CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101766639 569804858 /nfs/dbraw/zinc/80/48/58/569804858.db2.gz GCPQFBVECBSTMH-HSZRJFAPSA-N -1 0 490.629 5.171 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766859 569804888 /nfs/dbraw/zinc/80/48/88/569804888.db2.gz VBYBUFBSLQDQHN-OAQYLSRUSA-N -1 0 493.947 5.382 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101767090 569804935 /nfs/dbraw/zinc/80/49/35/569804935.db2.gz GBFDEFSCHARRBH-NRFANRHFSA-N -1 0 497.642 5.787 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c([O-])[nH]c1=S ZINC000101767166 569805052 /nfs/dbraw/zinc/80/50/52/569805052.db2.gz SSSBEDKYTOEETK-LJQANCHMSA-N -1 0 453.589 5.475 50 0 JKAARM CCOc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1 ZINC000101827923 569805351 /nfs/dbraw/zinc/80/53/51/569805351.db2.gz OIOJOYFKUKQQSA-UHFFFAOYSA-N -1 0 452.514 5.086 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000101831437 569805490 /nfs/dbraw/zinc/80/54/90/569805490.db2.gz PPESTVMVBITBEB-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000101831260 569805585 /nfs/dbraw/zinc/80/55/85/569805585.db2.gz PTOAOXOFPRWMFZ-UHFFFAOYSA-N -1 0 468.966 5.161 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)Nc1ccc(F)cc1 ZINC000101832521 569805659 /nfs/dbraw/zinc/80/56/59/569805659.db2.gz YCXKRBKNNCXTMP-UHFFFAOYSA-N -1 0 456.930 5.287 50 0 JKAARM COc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)c(OC)c1 ZINC000101832537 569805674 /nfs/dbraw/zinc/80/56/74/569805674.db2.gz HCHMVMYTEAKCMJ-UHFFFAOYSA-N -1 0 498.992 5.165 50 0 JKAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc2ccccc2c1 ZINC000101835219 569805773 /nfs/dbraw/zinc/80/57/73/569805773.db2.gz HAIGQJDNAKTFFI-RUZDIDTESA-N -1 0 479.565 5.288 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2c(F)cccc2Cl)CC(c2ccccc2)=N3)cc1 ZINC000101837254 569806162 /nfs/dbraw/zinc/80/61/62/569806162.db2.gz PUELRIRWKNMLSO-NRFANRHFSA-N -1 0 495.967 5.236 50 0 JKAARM O=C([O-])C1(c2ccc(Cl)cc2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000039959778 569812522 /nfs/dbraw/zinc/81/25/22/569812522.db2.gz HCHUJZOMVHQOQO-UHFFFAOYSA-N -1 0 461.945 5.707 50 0 JKAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccc2ccccc2c1 ZINC000039959774 569812532 /nfs/dbraw/zinc/81/25/32/569812532.db2.gz ARNXVBNFGHHUOX-JOCHJYFZSA-N -1 0 451.522 5.622 50 0 JKAARM O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1 ZINC000102708674 569816913 /nfs/dbraw/zinc/81/69/13/569816913.db2.gz NGKKCMHSBRWVPL-ZEZDXWPOSA-N -1 0 480.951 5.713 50 0 JKAARM Cc1cc(C)n2ncc(C([O-])=C(c3nc4ccccc4s3)c3nc4ccccc4s3)c2n1 ZINC000040150552 569819642 /nfs/dbraw/zinc/81/96/42/569819642.db2.gz HBGCIDKJWHKRFK-UHFFFAOYSA-N -1 0 455.568 5.580 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102753302 569821059 /nfs/dbraw/zinc/82/10/59/569821059.db2.gz MEHNVWVGHSGVRX-WXFUMESZSA-N -1 0 460.961 5.689 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102753301 569821125 /nfs/dbraw/zinc/82/11/25/569821125.db2.gz MEHNVWVGHSGVRX-RBZQAINGSA-N -1 0 460.961 5.689 50 0 JKAARM COc1ccc([C@@H](CC(=O)c2ccccc2)c2c(C)[n-]n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000102890173 569826503 /nfs/dbraw/zinc/82/65/03/569826503.db2.gz HRPNSIGCKYCBPV-BVAGGSTKSA-N -1 0 495.406 6.393 50 0 JKAARM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040448904 569828230 /nfs/dbraw/zinc/82/82/30/569828230.db2.gz BHYOQNUELFTYRT-QBUDHTHLSA-N -1 0 466.728 7.216 50 0 in-vitro JKAARM Cc1ccccc1-n1[n-]c(C(C)C)c(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)c1=O ZINC000103161084 569833495 /nfs/dbraw/zinc/83/34/95/569833495.db2.gz UNFICZHESGVNIW-UHFFFAOYSA-N -1 0 479.502 6.948 50 0 JKAARM CCCc1c(OCCCCOc2ccc(Sc3ccccc3C(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000045068692 569839977 /nfs/dbraw/zinc/83/99/77/569839977.db2.gz OAVHJWRNGPMMIL-UHFFFAOYSA-N -1 0 494.609 6.635 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccccc4Cl)CCC[C@H]3[C@H]2c2ccccc2Cl)sc1C(=O)[O-] ZINC000051330195 569851949 /nfs/dbraw/zinc/85/19/49/569851949.db2.gz ONUOOOBDZQOZPY-PWBPBPEKSA-N -1 0 498.435 7.258 50 0 JKAARM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000137838185 569865315 /nfs/dbraw/zinc/86/53/15/569865315.db2.gz SCDMWIVARPGQQM-BHDDXSALSA-N -1 0 497.776 5.462 50 0 JKAARM O=C([O-])c1cccc(-c2ccc(-c3cn(C(=O)N4CCCC[C@H]4Cc4ccccc4)nn3)cc2)c1 ZINC000169340077 569868233 /nfs/dbraw/zinc/86/82/33/569868233.db2.gz SSSCOJOXPDDHOO-VWLOTQADSA-N -1 0 466.541 5.376 50 0 in-vitro JKAARM CCOc1cccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170612434 569872823 /nfs/dbraw/zinc/87/28/23/569872823.db2.gz GYVMVQAXTMSQMS-FQEVSTJZSA-N -1 0 465.937 5.138 50 0 JKAARM COc1cccc2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc21 ZINC000170612592 569872859 /nfs/dbraw/zinc/87/28/59/569872859.db2.gz IPHQZOIGCHKTCX-LJQANCHMSA-N -1 0 486.355 5.483 50 0 JKAARM Cc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 ZINC000170618372 569873037 /nfs/dbraw/zinc/87/30/37/569873037.db2.gz ZGQNFWHBBHPDQP-MHZLTWQESA-N -1 0 492.579 5.780 50 0 JKAARM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1n[nH]c(-c2ccccc2)c1Br ZINC000195693696 569873638 /nfs/dbraw/zinc/87/36/38/569873638.db2.gz OFPIGXVAKKSISE-UHFFFAOYSA-N -1 0 494.418 5.106 50 0 JKAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000222204340 569883839 /nfs/dbraw/zinc/88/38/39/569883839.db2.gz DOMKDVRQFVLOLZ-MZLPPYGWSA-N -1 0 491.381 5.255 50 0 JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)cc1 ZINC000222228991 569883878 /nfs/dbraw/zinc/88/38/78/569883878.db2.gz YAHGOSRWKWIBRM-MBZYPRJPSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM Cc1cc(C)c(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c(C)c1 ZINC000229955902 570042591 /nfs/dbraw/zinc/04/25/91/570042591.db2.gz WHEUFGRVKOTSBF-KJYTXNCISA-N -1 0 462.549 5.816 50 0 JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000230007966 570043429 /nfs/dbraw/zinc/04/34/29/570043429.db2.gz VPUQDMIIANHJIA-PWRODBHTSA-N -1 0 483.749 5.154 50 0 JKAARM Cc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239310281 570050700 /nfs/dbraw/zinc/05/07/00/570050700.db2.gz IHIZPTOMMUMKHH-HRHHFINDSA-N -1 0 460.533 5.368 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@H]2CC4)c1 ZINC000239347307 570051208 /nfs/dbraw/zinc/05/12/08/570051208.db2.gz MRRXYEYSIFOGFP-MVWJFUNNSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@@H]2CC4)c1 ZINC000239347305 570051246 /nfs/dbraw/zinc/05/12/46/570051246.db2.gz MRRXYEYSIFOGFP-JAMMAXCTSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM COc1cccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000239412343 570051683 /nfs/dbraw/zinc/05/16/83/570051683.db2.gz SOTFIHHJHUBBKJ-HRHHFINDSA-N -1 0 476.532 5.068 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239425647 570051821 /nfs/dbraw/zinc/05/18/21/570051821.db2.gz UXUOYKZOFGFALT-FEVNIDIWSA-N -1 0 494.522 5.207 50 0 JKAARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@H]2CC4)cc1 ZINC000239433570 570052380 /nfs/dbraw/zinc/05/23/80/570052380.db2.gz YAHGOSRWKWIBRM-IYHARLETSA-N -1 0 489.656 6.010 50 0 JKAARM CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000239807460 570052719 /nfs/dbraw/zinc/05/27/19/570052719.db2.gz CSCRORLZNMBXCM-WQHXYCOISA-N -1 0 472.589 5.547 50 0 JKAARM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245239794 570057848 /nfs/dbraw/zinc/05/78/48/570057848.db2.gz DIVYKISDVGEKFS-ANARSLNQSA-N -1 0 492.556 5.197 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1CO[C@H]([C@@H](C)C(=O)[O-])C[C@H]1C ZINC000245253775 570059591 /nfs/dbraw/zinc/05/95/91/570059591.db2.gz PFAGZEWYROFOAJ-MNZKHRCASA-N -1 0 465.634 6.070 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1CO[C@H]([C@H](C)C(=O)[O-])C[C@H]1C ZINC000245253774 570059626 /nfs/dbraw/zinc/05/96/26/570059626.db2.gz PFAGZEWYROFOAJ-AOOWRNIOSA-N -1 0 465.634 6.070 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]2C1 ZINC000245255907 570060244 /nfs/dbraw/zinc/06/02/44/570060244.db2.gz MIJYXULNPSFWEK-QHCDZUHXSA-N -1 0 456.711 7.234 50 0 JKAARM CCCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cn(C)c4ccccc24)N(c2ccccc2)O3)cc1 ZINC000245309462 570063098 /nfs/dbraw/zinc/06/30/98/570063098.db2.gz DEHFZJUHONNBRJ-ZONZVBGPSA-N -1 0 481.552 5.018 50 0 JKAARM CC(=O)O[C@@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H](CC[C@H]3[C@H](C)CCCC(C)C)[C@H]2C(=O)[O-])C(=O)C1 ZINC000248295692 570077383 /nfs/dbraw/zinc/07/73/83/570077383.db2.gz XAJFPZPUIZSONS-KREOCCCCSA-N -1 0 462.671 6.283 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2C1 ZINC000248342573 570078226 /nfs/dbraw/zinc/07/82/26/570078226.db2.gz YKOPWPOFWMYZJZ-RNLRQEFRSA-N -1 0 472.710 6.204 50 0 JKAARM Cc1cc2c3c(c1)[C@@H]1[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]1[C@H](C(=O)[O-])N3C[C@@H]1CC=C[C@@H]21 ZINC000252394442 570080182 /nfs/dbraw/zinc/08/01/82/570080182.db2.gz LOKOVVPWJUFVII-GWTWCXSLSA-N -1 0 497.016 5.722 50 0 JKAARM O=C([O-])[C@@H](CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1)c1c[nH]c2ccccc21 ZINC000252637862 570090078 /nfs/dbraw/zinc/09/00/78/570090078.db2.gz XXOTZCJNAYGHOC-FQEVSTJZSA-N -1 0 490.357 5.323 50 0 JKAARM O=C([O-])c1ccccc1-c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)o1 ZINC000253399269 570096216 /nfs/dbraw/zinc/09/62/16/570096216.db2.gz CSPOKPLJVKDMTL-HXUWFJFHSA-N -1 0 496.446 5.998 50 0 biogenic JKAARM CSc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1 ZINC000253401279 570096536 /nfs/dbraw/zinc/09/65/36/570096536.db2.gz FMOLJAPKVSTRIH-KRWDZBQOSA-N -1 0 464.926 5.982 50 0 biogenic JKAARM O=C1C[C@H](c2coc3ccccc3c2=O)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253413185 570098194 /nfs/dbraw/zinc/09/81/94/570098194.db2.gz UBTDYWNWIBWLHO-MRXNPFEDSA-N -1 0 486.863 5.366 50 0 biogenic JKAARM Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)[O-] ZINC000253433435 570099002 /nfs/dbraw/zinc/09/90/02/570099002.db2.gz WVLXTOSSHIYFNE-MHZLTWQESA-N -1 0 492.579 5.780 50 0 JKAARM Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(c2ccccc2)=NN1C(=O)CCCC(=O)[O-] ZINC000253433434 570099024 /nfs/dbraw/zinc/09/90/24/570099024.db2.gz WVLXTOSSHIYFNE-HHHXNRCGSA-N -1 0 492.579 5.780 50 0 JKAARM O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253623674 570105220 /nfs/dbraw/zinc/10/52/20/570105220.db2.gz FMCAAZWYLLYYCW-INIZCTEOSA-N -1 0 485.879 5.514 50 0 biogenic JKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]21C ZINC000257347124 570152096 /nfs/dbraw/zinc/15/20/96/570152096.db2.gz UUJIBKBLRCGCFZ-PYDYSPFFSA-N -1 0 496.688 6.343 50 0 JKAARM CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(-c3ccccc3C(=O)[O-])o1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585014 570170865 /nfs/dbraw/zinc/17/08/65/570170865.db2.gz DFKWTMZCPIPUKX-SANMLTNESA-N -1 0 495.535 5.381 50 0 biogenic JKAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000263619529 570173668 /nfs/dbraw/zinc/17/36/68/570173668.db2.gz ZCFZKRHJFSHMDV-UHFFFAOYSA-N -1 0 496.006 5.372 50 0 JKAARM COc1ccc([C@H]2Cc3c(C(=O)[O-])c(=O)cc(C)n3-c3cc(C(F)(F)F)ccc3S2)cc1 ZINC000299783540 570176667 /nfs/dbraw/zinc/17/66/67/570176667.db2.gz ZEAPKPJIYHHEJT-HXUWFJFHSA-N -1 0 461.461 5.261 50 0 JKAARM COc1ccccc1[C@@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2cc(C(F)(F)F)ccc2S1 ZINC000299798669 570177323 /nfs/dbraw/zinc/17/73/23/570177323.db2.gz UEJVETKAARVGOG-FQEVSTJZSA-N -1 0 461.461 5.261 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(Cc4c(O)c5cc(F)cc6c5c(c4O)[C@@H](C)CC6)c(=O)n1c23 ZINC000390834973 570185504 /nfs/dbraw/zinc/18/55/04/570185504.db2.gz YLGBEUPDIBQUFV-QWHCGFSZSA-N -1 0 477.507 5.697 50 0 JKAARM C[C@@H]1CCc2cc(F)cc3c(O)c(Cc4c([O-])c5cc(F)cc6c5n(c4=O)[C@H](C)CC6)c(O)c1c23 ZINC000390834971 570185549 /nfs/dbraw/zinc/18/55/49/570185549.db2.gz YLGBEUPDIBQUFV-CHWSQXEVSA-N -1 0 477.507 5.697 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000004166126 291568100 /nfs/dbraw/zinc/56/81/00/291568100.db2.gz PGOYMURMZNDHNS-AHJCBHEUSA-N -1 0 472.710 6.206 50 0 biogenic,in-vitro JKAARM COc1ccc(Sc2cccc(CN(C)c3cc(C(=O)[O-])nc4cc(Cl)cc(Cl)c43)c2)cc1 ZINC000000702199 193899574 /nfs/dbraw/zinc/89/95/74/193899574.db2.gz FUUIYLWURGZBJB-UHFFFAOYSA-N -1 0 499.419 7.036 50 0 JKAARM O=C([N-]S(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000000987843 193997703 /nfs/dbraw/zinc/99/77/03/193997703.db2.gz KKAMRGGXEMKYJG-UHFFFAOYSA-N -1 0 473.790 5.312 50 0 JKAARM O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)s1)c1ccc(Cl)cc1 ZINC000001034289 194006796 /nfs/dbraw/zinc/00/67/96/194006796.db2.gz LHGVTUSUFGKLOE-UHFFFAOYSA-N -1 0 490.050 5.123 50 0 JKAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000001034290 194006958 /nfs/dbraw/zinc/00/69/58/194006958.db2.gz NJPUGTGMZPYGPF-UHFFFAOYSA-N -1 0 457.499 5.213 50 0 JKAARM CSc1nccc(-c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)n1 ZINC000001040305 194007886 /nfs/dbraw/zinc/00/78/86/194007886.db2.gz FSESINOLYNLIPB-UHFFFAOYSA-N -1 0 499.483 5.765 50 0 JKAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000001047086 194008951 /nfs/dbraw/zinc/00/89/51/194008951.db2.gz YTHGEZFXLQYESD-UHFFFAOYSA-N -1 0 492.359 5.795 50 0 JKAARM CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000001009227 194002614 /nfs/dbraw/zinc/00/26/14/194002614.db2.gz HBRNVJPGPIDHOC-NZSAHSFTSA-N -1 0 455.576 5.462 50 0 JKAARM Cc1[nH]c2ccccc2c1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001065249 194013807 /nfs/dbraw/zinc/01/38/07/194013807.db2.gz UQFMVWUPNNGDJG-MRXNPFEDSA-N -1 0 452.190 5.520 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)cc1 ZINC000001066029 194014292 /nfs/dbraw/zinc/01/42/92/194014292.db2.gz UVUCEHNIOFSHPQ-UHFFFAOYSA-N -1 0 468.884 5.720 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1 ZINC000001079397 194019996 /nfs/dbraw/zinc/01/99/96/194019996.db2.gz JGRAPIXKRURIJJ-UHFFFAOYSA-N -1 0 468.884 5.720 50 0 JKAARM O=C1[N-]C(=O)[C@](CCc2ccncc2)(Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 ZINC000001115384 194029553 /nfs/dbraw/zinc/02/95/53/194029553.db2.gz DFAQYXPSDARAOV-DEOSSOPVSA-N -1 0 478.346 5.129 50 0 JKAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)no1 ZINC000001116391 194030200 /nfs/dbraw/zinc/03/02/00/194030200.db2.gz UHCYCHHRWKDDJI-QHCPKHFHSA-N -1 0 479.583 5.256 50 0 JKAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc(Cl)ccc1Cl ZINC000001137178 194042401 /nfs/dbraw/zinc/04/24/01/194042401.db2.gz PSHGXVMRTUMDGH-UHFFFAOYSA-N -1 0 491.805 5.248 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001139047 194043585 /nfs/dbraw/zinc/04/35/85/194043585.db2.gz QAOJASLTOZEUGT-UHFFFAOYSA-N -1 0 463.342 5.249 50 0 JKAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl ZINC000001142609 194045696 /nfs/dbraw/zinc/04/56/96/194045696.db2.gz GDFYHVUBOOADRJ-UHFFFAOYSA-N -1 0 491.805 5.248 50 0 JKAARM COc1ccc(/C=C(/NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001153476 194051907 /nfs/dbraw/zinc/05/19/07/194051907.db2.gz DPPMKRPBVYOTFI-JJIBRWJFSA-N -1 0 472.541 5.101 50 0 JKAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001159655 194054280 /nfs/dbraw/zinc/05/42/80/194054280.db2.gz WUAHQBJROQODJJ-UHFFFAOYSA-N -1 0 465.314 5.087 50 0 JKAARM CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000001163771 194056394 /nfs/dbraw/zinc/05/63/94/194056394.db2.gz OIDDMMOLUNGOER-FYJGNVAPSA-N -1 0 492.915 5.113 50 0 JKAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000001305402 194083145 /nfs/dbraw/zinc/08/31/45/194083145.db2.gz AZZLRESVBGGGBD-JOCHJYFZSA-N -1 0 465.937 5.138 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000001388544 194113874 /nfs/dbraw/zinc/11/38/74/194113874.db2.gz GBGCOUCASQTPCA-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000001388536 194113929 /nfs/dbraw/zinc/11/39/29/194113929.db2.gz OGKOIQBBYSVDKG-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001391865 194114299 /nfs/dbraw/zinc/11/42/99/194114299.db2.gz RREDJCXGRWFIJL-UHFFFAOYSA-N -1 0 474.413 6.117 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccccc2F)cc1 ZINC000001409027 194116400 /nfs/dbraw/zinc/11/64/00/194116400.db2.gz FONMMFZSDPCAHI-PRAQEBQASA-N -1 0 498.554 6.549 50 0 JKAARM O=C(Nc1ccc(I)cc1)c1ccc(OC(=S)[N-]c2ccccc2)cc1 ZINC000001434843 194120330 /nfs/dbraw/zinc/12/03/30/194120330.db2.gz XYNSCBYYBKBFRC-UHFFFAOYSA-N -1 0 474.323 5.319 50 0 JKAARM C[C@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000001441227 194121313 /nfs/dbraw/zinc/12/13/13/194121313.db2.gz FHUXCSWUJDKAFP-ITEAAPOESA-N -1 0 463.327 5.470 50 0 JKAARM CCCCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000001790011 194140915 /nfs/dbraw/zinc/14/09/15/194140915.db2.gz QXOMZRAYIBZPJH-UHFFFAOYSA-N -1 0 450.332 6.965 50 0 JKAARM CC[C@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1 ZINC000001790015 194140930 /nfs/dbraw/zinc/14/09/30/194140930.db2.gz PDQQOZRSQGPCBV-AWEZNQCLSA-N -1 0 450.332 7.136 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000001823668 194146652 /nfs/dbraw/zinc/14/66/52/194146652.db2.gz MIJYXULNPSFWEK-WLDYONLISA-N -1 0 456.711 7.234 50 0 biogenic,in-vitro JKAARM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc3ccccc31)c1ccccc21 ZINC000001890083 194152815 /nfs/dbraw/zinc/15/28/15/194152815.db2.gz XRMCOQQKKSUYEG-UHFFFAOYSA-N -1 0 489.549 5.652 50 0 JKAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000002869773 194166922 /nfs/dbraw/zinc/16/69/22/194166922.db2.gz QTAMNXJCDSALCX-UHFFFAOYSA-N -1 0 496.906 5.758 50 0 JKAARM Cc1ccc(-n2c(=O)c3sc(=S)n(-c4ccc(Cl)c(C)c4)c3nc2SCC(=O)[O-])cc1 ZINC000003034344 194213945 /nfs/dbraw/zinc/21/39/45/194213945.db2.gz DOQNNJGBBGOEGV-UHFFFAOYSA-N -1 0 490.031 5.414 50 0 JKAARM CCc1ccc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000003035631 194214116 /nfs/dbraw/zinc/21/41/16/194214116.db2.gz WVXYZLIJPNUVMA-UHFFFAOYSA-N -1 0 483.431 6.109 50 0 JKAARM Cc1cccc(NC(=S)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000003035640 194214126 /nfs/dbraw/zinc/21/41/26/194214126.db2.gz YIYSDQGAXIXXLW-UHFFFAOYSA-N -1 0 469.404 5.855 50 0 JKAARM Cc1ccc(C)c(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1 ZINC000003036495 194214298 /nfs/dbraw/zinc/21/42/98/194214298.db2.gz PZIDDFJWPWQCMT-UHFFFAOYSA-N -1 0 489.479 6.156 50 0 JKAARM CCc1ccc(NC(=S)N(Cc2ccc(C(=O)[O-])cc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000003036483 194214309 /nfs/dbraw/zinc/21/43/09/194214309.db2.gz IVJBANWJZSSGGI-UHFFFAOYSA-N -1 0 464.587 5.364 50 0 JKAARM O=C([O-])c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1 ZINC000003037862 194214515 /nfs/dbraw/zinc/21/45/15/194214515.db2.gz KFQGRHXLBFVWIK-UHFFFAOYSA-N -1 0 479.492 5.142 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000003171765 194233974 /nfs/dbraw/zinc/23/39/74/194233974.db2.gz HTRIGSRYWZAOSG-UHFFFAOYSA-N -1 0 466.466 5.134 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000003187820 194236501 /nfs/dbraw/zinc/23/65/01/194236501.db2.gz DOCUOWBFRXPYGV-UHFFFAOYSA-N -1 0 467.554 5.918 50 0 JKAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1c2ccccc2Sc2ccccc21 ZINC000003217411 194241240 /nfs/dbraw/zinc/24/12/40/194241240.db2.gz VCCYFNVDBMVBDL-UHFFFAOYSA-N -1 0 476.554 6.070 50 0 JKAARM O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003250550 194251706 /nfs/dbraw/zinc/25/17/06/194251706.db2.gz NGTQBCJROPRTGX-UHFFFAOYSA-N -1 0 478.382 5.656 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)ccc2Cl)cc1 ZINC000003259689 194254544 /nfs/dbraw/zinc/25/45/44/194254544.db2.gz TZQUFZAWVWIGID-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003264239 194256096 /nfs/dbraw/zinc/25/60/96/194256096.db2.gz XBXGUZNILGDXFJ-UHFFFAOYSA-N -1 0 469.777 5.378 50 0 JKAARM O=C([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003273160 194259226 /nfs/dbraw/zinc/25/92/26/194259226.db2.gz XOROSUTXJXIDKX-UHFFFAOYSA-N -1 0 469.868 5.453 50 0 JKAARM Cc1ccc(NC(=S)NCc2ccccc2)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000003277853 194260636 /nfs/dbraw/zinc/26/06/36/194260636.db2.gz KONSJITUHCYWRP-UHFFFAOYSA-N -1 0 490.448 5.045 50 0 JKAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000003328214 194284275 /nfs/dbraw/zinc/28/42/75/194284275.db2.gz RNEUEGXKYGWQDJ-UHFFFAOYSA-N -1 0 491.392 5.007 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000003328236 194284293 /nfs/dbraw/zinc/28/42/93/194284293.db2.gz KQEWEAZAHRDSEA-UHFFFAOYSA-N -1 0 495.811 5.652 50 0 JKAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1-c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000003331637 194285997 /nfs/dbraw/zinc/28/59/97/194285997.db2.gz KLHTZVJAQJLXSW-UHFFFAOYSA-N -1 0 477.895 6.012 50 0 JKAARM Cc1oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2c1C(=O)OCc1ccccc1 ZINC000003368358 194304656 /nfs/dbraw/zinc/30/46/56/194304656.db2.gz MUABINXUQMIQJN-UHFFFAOYSA-N -1 0 490.364 6.206 50 0 JKAARM Cc1ccc(-c2nc(SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000003448063 194327875 /nfs/dbraw/zinc/32/78/75/194327875.db2.gz PZUUBIOGLJXCKP-UHFFFAOYSA-N -1 0 482.565 5.588 50 0 JKAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccccc2Cl)C1 ZINC000004008922 194369248 /nfs/dbraw/zinc/36/92/48/194369248.db2.gz WTHUQVCZEQRGPM-CYBMUJFWSA-N -1 0 462.999 5.608 50 0 JKAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccccc2Cl)C1 ZINC000004008923 194369310 /nfs/dbraw/zinc/36/93/10/194369310.db2.gz WTHUQVCZEQRGPM-ZDUSSCGKSA-N -1 0 462.999 5.608 50 0 JKAARM O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000004015699 194369775 /nfs/dbraw/zinc/36/97/75/194369775.db2.gz DMGUFSALAWTWEJ-UHFFFAOYSA-N -1 0 469.722 6.401 50 0 JKAARM Cc1cc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000004020660 194370616 /nfs/dbraw/zinc/37/06/16/194370616.db2.gz DGSMQHHNOFLGPO-HSZRJFAPSA-N -1 0 485.385 6.276 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000004112639 194379878 /nfs/dbraw/zinc/37/98/78/194379878.db2.gz MJDPNQCBCPLHFV-QFIPXVFZSA-N -1 0 465.937 5.138 50 0 JKAARM CC(C)(C)OC(=O)NCCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004240291 194385954 /nfs/dbraw/zinc/38/59/54/194385954.db2.gz SDBUQLGECIYUDT-SFHVURJKSA-N -1 0 482.577 5.063 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)c(C(=O)[O-])c1OC ZINC000009216543 194602435 /nfs/dbraw/zinc/60/24/35/194602435.db2.gz YNUKXPZBHZYHKC-NEKDWFFYSA-N -1 0 480.520 5.798 50 0 JKAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc54)=NN32)c(C(=O)[O-])c1OC ZINC000009216544 194602495 /nfs/dbraw/zinc/60/24/95/194602495.db2.gz YNUKXPZBHZYHKC-FIPFOOKPSA-N -1 0 480.520 5.798 50 0 JKAARM O=C([O-])c1cc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)ccc1N1CCOCC1 ZINC000009891867 195015422 /nfs/dbraw/zinc/01/54/22/195015422.db2.gz WPPXOFFMIIXILK-UHFFFAOYSA-N -1 0 486.543 5.705 50 0 JKAARM O=C([O-])c1cc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)ccc1N1CCOCC1 ZINC000009891866 195015476 /nfs/dbraw/zinc/01/54/76/195015476.db2.gz BFEPVCZAHSVQJG-UHFFFAOYSA-N -1 0 487.383 5.719 50 0 JKAARM O=C([O-])c1cc(NCc2c(OCc3ccccc3F)ccc3ccccc32)ccc1N1CCOCC1 ZINC000009892682 195016628 /nfs/dbraw/zinc/01/66/28/195016628.db2.gz XCBAGOUJGZNTQU-UHFFFAOYSA-N -1 0 486.543 5.705 50 0 JKAARM O=C([O-])c1cc(NCc2cccc(OCc3ccc(Cl)cc3)c2)ccc1N1CCOCC1 ZINC000009892671 195016639 /nfs/dbraw/zinc/01/66/39/195016639.db2.gz POOAGQYZKZHGRQ-UHFFFAOYSA-N -1 0 452.938 5.066 50 0 JKAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000009892674 195016695 /nfs/dbraw/zinc/01/66/95/195016695.db2.gz AKGLOQHYUMJEEJ-UHFFFAOYSA-N -1 0 496.991 5.465 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(NC(=O)c3ccc(C)cc3)c2)C1 ZINC000012643243 195072446 /nfs/dbraw/zinc/07/24/46/195072446.db2.gz WMKUORDFOAKEJF-PXLXIMEGSA-N -1 0 477.564 5.870 50 0 JKAARM CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012648675 195074955 /nfs/dbraw/zinc/07/49/55/195074955.db2.gz JDTOWOURWBDELG-QHCPKHFHSA-N -1 0 463.599 5.690 50 0 JKAARM COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012631093 195063227 /nfs/dbraw/zinc/06/32/27/195063227.db2.gz BRPGKJNAYCSXLD-QGZVFWFLSA-N -1 0 495.626 5.247 50 0 JKAARM COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012631089 195063247 /nfs/dbraw/zinc/06/32/47/195063247.db2.gz BRPGKJNAYCSXLD-KRWDZBQOSA-N -1 0 495.626 5.247 50 0 JKAARM [O-]c1c(Br)cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1Br ZINC000012660236 195080185 /nfs/dbraw/zinc/08/01/85/195080185.db2.gz NLTWDXOQUSUECY-LZCJLJQNSA-N -1 0 455.146 6.350 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000012729716 195098466 /nfs/dbraw/zinc/09/84/66/195098466.db2.gz FJWFKZSMLBSIAT-LFVJCYFKSA-N -1 0 464.477 5.214 50 0 JKAARM Cc1ccc(-c2nnc(SCc3cc4ccc(C)c(C)c4nc3Cl)n2CCC(=O)[O-])cc1 ZINC000012778999 195123059 /nfs/dbraw/zinc/12/30/59/195123059.db2.gz VXTILGAYYUUMRJ-UHFFFAOYSA-N -1 0 466.994 5.839 50 0 JKAARM O=C([N-]n1cnc2scc(-c3ccccc3)c2c1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012844925 195151757 /nfs/dbraw/zinc/15/17/57/195151757.db2.gz TUSAJJOTOJHJKH-UHFFFAOYSA-N -1 0 464.959 5.286 50 0 JKAARM O=C(Nc1ccccc1O)C1CCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1 ZINC000012846971 195152689 /nfs/dbraw/zinc/15/26/89/195152689.db2.gz GZBPIGFJPADJOI-UHFFFAOYSA-N -1 0 495.004 5.274 50 0 JKAARM [O-]c1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)/c(=N/c3ccccc3)oc2c1 ZINC000020642360 195193676 /nfs/dbraw/zinc/19/36/76/195193676.db2.gz XNAHFROFPAYBSD-RWEWTDSWSA-N -1 0 475.367 6.924 50 0 JKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 ZINC000020615508 195187532 /nfs/dbraw/zinc/18/75/32/195187532.db2.gz OVDIOSOCIITLMQ-UHFFFAOYSA-N -1 0 463.362 5.714 50 0 JKAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 ZINC000020616699 195188385 /nfs/dbraw/zinc/18/83/85/195188385.db2.gz RMNIHUGDHQVWDT-NFFVHWSESA-N -1 0 466.852 5.417 50 0 JKAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3cc(Cl)ccc3OC)cc2c1 ZINC000020616718 195188430 /nfs/dbraw/zinc/18/84/30/195188430.db2.gz OYQHPRRBVWIBGB-PNHLSOANSA-N -1 0 478.888 5.286 50 0 JKAARM CCOc1cc(CNc2cc(C(=O)[O-])ccc2C)cc(Br)c1OCc1ccccc1 ZINC000020880581 195236360 /nfs/dbraw/zinc/23/63/60/195236360.db2.gz HECFPCOEITVAMC-UHFFFAOYSA-N -1 0 470.363 6.046 50 0 JKAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c(C)c1 ZINC000020977852 195258572 /nfs/dbraw/zinc/25/85/72/195258572.db2.gz ZXAZPRJZUKRUES-UHFFFAOYSA-N -1 0 459.515 5.377 50 0 JKAARM COc1ccc(C)cc1-c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1CC(=O)[O-] ZINC000021225049 195291511 /nfs/dbraw/zinc/29/15/11/195291511.db2.gz PKMKCDDKXHFOST-UHFFFAOYSA-N -1 0 452.337 6.820 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000021524298 195304461 /nfs/dbraw/zinc/30/44/61/195304461.db2.gz IGTBZUIXKLXZSY-UHFFFAOYSA-N -1 0 483.480 5.610 50 0 JKAARM Cc1nc2ccccc2c(-c2ccccc2)c1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000058196760 195372998 /nfs/dbraw/zinc/37/29/98/195372998.db2.gz WHYAFMXMYDTGGN-VWLOTQADSA-N -1 0 463.537 5.753 50 0 JKAARM COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102861131 130331908 /nfs/dbraw/zinc/33/19/08/130331908.db2.gz UZIPHRBUNIWBGW-VWLOTQADSA-N -1 0 476.529 5.131 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(Cl)c4)cs3)n(C)c2C)cc1 ZINC000065008900 518386398 /nfs/dbraw/zinc/38/63/98/518386398.db2.gz KXKPZSPKHUFYFB-UHFFFAOYSA-N -1 0 486.018 5.781 50 0 JKAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)sc2C)c1 ZINC000046141328 518446157 /nfs/dbraw/zinc/44/61/57/518446157.db2.gz MDIWFXUJPFTABG-UHFFFAOYSA-N -1 0 473.963 5.430 50 0 JKAARM CC(C)(C)CN1c2ccc(Cl)cc2[C@@H](c2cccc3ccccc32)S[C@H](CC(=O)[O-])C1=O ZINC000044123828 518663842 /nfs/dbraw/zinc/66/38/42/518663842.db2.gz KGJWJWANAXKLRA-ISKFKSNPSA-N -1 0 468.018 6.552 50 0 JKAARM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc1 ZINC000020468032 519010191 /nfs/dbraw/zinc/01/01/91/519010191.db2.gz BNKXIYMMDDGFFO-LICLKQGHSA-N -1 0 486.597 5.380 50 0 JKAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1 ZINC000033253911 519443131 /nfs/dbraw/zinc/44/31/31/519443131.db2.gz MXKBAGIXZUQHDS-UHFFFAOYSA-N -1 0 452.576 5.021 50 0 JKAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)s1 ZINC000033306444 519702260 /nfs/dbraw/zinc/70/22/60/519702260.db2.gz DCSOOJDOCCGBHF-VMPITWQZSA-N -1 0 496.408 5.045 50 0 JKAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000033169167 519714327 /nfs/dbraw/zinc/71/43/27/519714327.db2.gz CYHGTLFFIZPBBA-UHFFFAOYSA-N -1 0 451.573 5.339 50 0 JKAARM CC(=O)Nc1ccc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016348363 519727375 /nfs/dbraw/zinc/72/73/75/519727375.db2.gz KYLDCJDFSFAKRJ-UHFFFAOYSA-N -1 0 481.965 5.094 50 0 JKAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260683 519914977 /nfs/dbraw/zinc/91/49/77/519914977.db2.gz KFUYJRSHMVVKJU-UHFFFAOYSA-N -1 0 466.969 5.042 50 0 JKAARM CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)[O-])ccc5c4)SCCS3)ccc21 ZINC000078938221 520294040 /nfs/dbraw/zinc/29/40/40/520294040.db2.gz DPVGXUNWCVEIGT-UHFFFAOYSA-N -1 0 462.680 7.568 50 0 in-vitro JKAARM CCCOc1ccc(Br)cc1/C=C1/CN(CC)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033466632 520323884 /nfs/dbraw/zinc/32/38/84/520323884.db2.gz LBILXYKPAXDZOF-ATVHPVEESA-N -1 0 481.390 5.860 50 0 JKAARM CCOC(=O)C(=C(c1ccccc1)c1ccccc1)/C(=C/c1cn(C)c2ccccc12)C(=O)[O-] ZINC000002291405 520402025 /nfs/dbraw/zinc/40/20/25/520402025.db2.gz QQRKDJWKXNSDRH-MOHJPFBDSA-N -1 0 451.522 5.712 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000033253626 520543479 /nfs/dbraw/zinc/54/34/79/520543479.db2.gz BXFFVARDRVQJMR-UHFFFAOYSA-N -1 0 482.602 5.391 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253619 520543749 /nfs/dbraw/zinc/54/37/49/520543749.db2.gz HMAQDYYPNJRIKQ-UHFFFAOYSA-N -1 0 468.575 5.001 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000033253625 520544193 /nfs/dbraw/zinc/54/41/93/520544193.db2.gz JYXZNYCXWPZTJP-UHFFFAOYSA-N -1 0 452.576 5.301 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000033253629 520544650 /nfs/dbraw/zinc/54/46/50/520544650.db2.gz VQVDRCBBOBNTDJ-UHFFFAOYSA-N -1 0 452.576 5.301 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253618 520545483 /nfs/dbraw/zinc/54/54/83/520545483.db2.gz IHBWLJXSELZZGP-UHFFFAOYSA-N -1 0 456.539 5.131 50 0 JKAARM CCCSc1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000008614305 520569890 /nfs/dbraw/zinc/56/98/90/520569890.db2.gz HVHHMQARWYAWTP-UHFFFAOYSA-N -1 0 466.950 5.883 50 0 JKAARM CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000002426140 520800112 /nfs/dbraw/zinc/80/01/12/520800112.db2.gz ZNVZGOQFEJBDFR-VWLOTQADSA-N -1 0 465.933 5.514 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc3cc(OC)c(OC)cc32)cc1 ZINC000027025657 520805551 /nfs/dbraw/zinc/80/55/51/520805551.db2.gz HZYZTZWNTQJQDV-UHFFFAOYSA-N -1 0 471.509 5.873 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)no2)cc1 ZINC000046086820 520848181 /nfs/dbraw/zinc/84/81/81/520848181.db2.gz CKIUNLMZYDEEGE-UHFFFAOYSA-N -1 0 466.588 5.917 50 0 JKAARM CCCCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4F)s3)no2)cc1 ZINC000046086936 520848665 /nfs/dbraw/zinc/84/86/65/520848665.db2.gz WPMDOLPQAPNDFP-UHFFFAOYSA-N -1 0 484.578 6.056 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000006146294 520863430 /nfs/dbraw/zinc/86/34/30/520863430.db2.gz GTWXJLNRYXMWME-UHFFFAOYSA-N -1 0 489.391 5.209 50 0 JKAARM CCN(CCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053673 520996493 /nfs/dbraw/zinc/99/64/93/520996493.db2.gz MAAJPLLFAHRPLN-UHFFFAOYSA-N -1 0 481.036 6.723 50 0 JKAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000008629596 521172963 /nfs/dbraw/zinc/17/29/63/521172963.db2.gz WIRRZFQEBKMZHQ-KRWDZBQOSA-N -1 0 468.781 5.022 50 0 JKAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000033306582 521195223 /nfs/dbraw/zinc/19/52/23/521195223.db2.gz LAOZGLSAESMRBQ-VQHVLOKHSA-N -1 0 496.408 5.127 50 0 JKAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253345 521209471 /nfs/dbraw/zinc/20/94/71/521209471.db2.gz GTGPPWMNNOGTBZ-UHFFFAOYSA-N -1 0 494.613 5.043 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000004112649 521298660 /nfs/dbraw/zinc/29/86/60/521298660.db2.gz ZSEXKSGQCALTKW-JOCHJYFZSA-N -1 0 465.937 5.220 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000020168168 521371092 /nfs/dbraw/zinc/37/10/92/521371092.db2.gz CUYHJPPIIDJYEG-ZWKOTPCHSA-N -1 0 455.576 5.495 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253335 521375832 /nfs/dbraw/zinc/37/58/32/521375832.db2.gz PPRYCSGZZHIFRQ-UHFFFAOYSA-N -1 0 458.967 5.174 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253321 521376087 /nfs/dbraw/zinc/37/60/87/521376087.db2.gz WNRGPIRIMOYCGC-UHFFFAOYSA-N -1 0 452.576 5.336 50 0 JKAARM COC(=O)c1ccc(COc2ccc(/C=C(/CCC(=O)[O-])c3nc4ccccc4s3)cc2)cc1 ZINC000034828053 522045302 /nfs/dbraw/zinc/04/53/02/522045302.db2.gz KPUBVNLDWYJCGU-PGMHBOJBSA-N -1 0 473.550 6.067 50 0 JKAARM COC(=O)c1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)[O-])s2)cc1 ZINC000009207963 522136325 /nfs/dbraw/zinc/13/63/25/522136325.db2.gz JNKGFAYRWHVOAY-UHFFFAOYSA-N -1 0 460.511 5.760 50 0 JKAARM COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000008618181 522419290 /nfs/dbraw/zinc/41/92/90/522419290.db2.gz XCAFWAFVVZMKID-UHFFFAOYSA-N -1 0 464.008 5.953 50 0 JKAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000045992803 522438869 /nfs/dbraw/zinc/43/88/69/522438869.db2.gz PQUPAWBUCCNQHI-UHFFFAOYSA-N -1 0 479.579 6.103 50 0 JKAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)cc(OC)c1 ZINC000065008817 522754418 /nfs/dbraw/zinc/75/44/18/522754418.db2.gz TVCQWSXQCXYUAH-UHFFFAOYSA-N -1 0 487.578 5.081 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1Cl ZINC000033173345 522815749 /nfs/dbraw/zinc/81/57/49/522815749.db2.gz HYLQAGXFZUCVIH-UHFFFAOYSA-N -1 0 476.860 5.140 50 0 JKAARM COc1ccc(Br)cc1/C=C1/C[C@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000033662139 523489860 /nfs/dbraw/zinc/48/98/60/523489860.db2.gz DAFQHUKEPIJYJE-NIFLVVHWSA-N -1 0 480.402 6.853 50 0 JKAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCCC3)c(C)c2cc(C)c1C ZINC000065011010 523843953 /nfs/dbraw/zinc/84/39/53/523843953.db2.gz VZYICLCBGLJMBU-UHFFFAOYSA-N -1 0 484.618 5.492 50 0 JKAARM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000033173550 523854403 /nfs/dbraw/zinc/85/44/03/523854403.db2.gz VCQXJWXTZPZYPC-UHFFFAOYSA-N -1 0 490.887 5.394 50 0 JKAARM COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000020220613 524024166 /nfs/dbraw/zinc/02/41/66/524024166.db2.gz ORRQFUITVLBLMF-VQTJNVASSA-N -1 0 469.603 6.079 50 0 JKAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCC3)c(C)c2cc(C)c1C ZINC000065010502 524066132 /nfs/dbraw/zinc/06/61/32/524066132.db2.gz MCXJVDNEMKMPNZ-UHFFFAOYSA-N -1 0 454.592 5.266 50 0 JKAARM COc1ccc(C[C@@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016293431 524159576 /nfs/dbraw/zinc/15/95/76/524159576.db2.gz FBNYIIFSTAZMPA-SANMLTNESA-N -1 0 493.947 5.037 50 0 JKAARM Cc1ccc(C)c([C@@H]2C[C@H]([C@@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000012447136 524205571 /nfs/dbraw/zinc/20/55/71/524205571.db2.gz IMXDIIJFEQFWHF-CODAWKSHSA-N -1 0 464.403 6.884 50 0 JKAARM Cc1ccc(C)c([C@@H]2C[C@@H]([C@@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000012447139 524205581 /nfs/dbraw/zinc/20/55/81/524205581.db2.gz IMXDIIJFEQFWHF-JBUDQFAYSA-N -1 0 464.403 6.884 50 0 JKAARM Cc1ccc(C)c([C@H]2C[C@@H](c3cccc(Cl)c3)Nc3c(C(=O)[O-])cc(Br)cc32)c1 ZINC000012447161 524213428 /nfs/dbraw/zinc/21/34/28/524213428.db2.gz XMXROKNHORCLNN-KNQAVFIVSA-N -1 0 470.794 7.106 50 0 JKAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078724 524219146 /nfs/dbraw/zinc/21/91/46/524219146.db2.gz ZDYFRYGQRLRRBH-UHFFFAOYSA-N -1 0 483.490 5.291 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCC3)c(C)c2cc(C)c1C ZINC000065010524 524246361 /nfs/dbraw/zinc/24/63/61/524246361.db2.gz ZAEVDRRSIPJLSZ-UHFFFAOYSA-N -1 0 476.982 5.057 50 0 JKAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098111 524246387 /nfs/dbraw/zinc/24/63/87/524246387.db2.gz SZTIZTXPCJNHJP-UHFFFAOYSA-N -1 0 465.915 5.067 50 0 JKAARM COc1ccccc1C(=O)Nc1ccc2nc(N3CC[C@@H](c4ccccc4C)C3)cc(C(=O)[O-])c2c1 ZINC000033260579 524358393 /nfs/dbraw/zinc/35/83/93/524358393.db2.gz FNFJHYJAALAZDG-LJQANCHMSA-N -1 0 481.552 5.496 50 0 JKAARM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)c1 ZINC000045941178 524457297 /nfs/dbraw/zinc/45/72/97/524457297.db2.gz ARTMQMQIXLLBNE-UHFFFAOYSA-N -1 0 488.034 5.099 50 0 JKAARM COc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347425 524617897 /nfs/dbraw/zinc/61/78/97/524617897.db2.gz QMFBFEPWFAUPJL-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008789 524640694 /nfs/dbraw/zinc/64/06/94/524640694.db2.gz QRUJUYWMVFHHLY-UHFFFAOYSA-N -1 0 474.007 5.587 50 0 JKAARM Cc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c1 ZINC000011916071 524667074 /nfs/dbraw/zinc/66/70/74/524667074.db2.gz WLIFUVDIZXGREY-UHFFFAOYSA-N -1 0 495.491 5.672 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010898 524683787 /nfs/dbraw/zinc/68/37/87/524683787.db2.gz JBSJUJNNZYVEEC-UHFFFAOYSA-N -1 0 470.591 5.184 50 0 JKAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)cc2Cl)c1 ZINC000002627416 524689518 /nfs/dbraw/zinc/68/95/18/524689518.db2.gz OQOMOJPHQKHJJC-UHFFFAOYSA-N -1 0 479.341 5.084 50 0 JKAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)c1 ZINC000065008846 524869476 /nfs/dbraw/zinc/86/94/76/524869476.db2.gz WSUJEUREOJDTTF-UHFFFAOYSA-N -1 0 487.578 5.081 50 0 JKAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)c1 ZINC000033169243 524878369 /nfs/dbraw/zinc/87/83/69/524878369.db2.gz PETZDKDEHJRQIC-UHFFFAOYSA-N -1 0 460.964 5.435 50 0 JKAARM Cc1cc(Cl)ccc1OCc1nc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)no1 ZINC000021702605 524905839 /nfs/dbraw/zinc/90/58/39/524905839.db2.gz CYJKTZPURJPGMP-UHFFFAOYSA-N -1 0 461.952 5.140 50 0 JKAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000012488453 525058876 /nfs/dbraw/zinc/05/88/76/525058876.db2.gz ZGMWEOIPDRSFJC-JKDFXYPNSA-N -1 0 479.389 5.262 50 0 JKAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc43)cc2s1 ZINC000021883086 525228038 /nfs/dbraw/zinc/22/80/38/525228038.db2.gz ZVEZDIDZRODYAJ-UHFFFAOYSA-N -1 0 492.557 5.274 50 0 JKAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2s1 ZINC000021883080 525228950 /nfs/dbraw/zinc/22/89/50/525228950.db2.gz XNVSUVVRNXSGGM-UHFFFAOYSA-N -1 0 474.567 5.135 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3C)[n-]c2=O)c1 ZINC000021882758 525246959 /nfs/dbraw/zinc/24/69/59/525246959.db2.gz GQDGSTNATGSRJT-GOSISDBHSA-N -1 0 499.596 5.233 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000006146764 525247235 /nfs/dbraw/zinc/24/72/35/525247235.db2.gz RLBJGQDBHMSXBZ-UHFFFAOYSA-N -1 0 479.783 5.464 50 0 JKAARM C[C@@H]1C[C@H](C)CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000016689805 525387590 /nfs/dbraw/zinc/38/75/90/525387590.db2.gz AZUBLUCUVBKMRJ-JCGVRSQUSA-N -1 0 477.417 6.131 50 0 JKAARM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)sc2C(N)=O)c(C)cc1Cl ZINC000008626491 525420518 /nfs/dbraw/zinc/42/05/18/525420518.db2.gz WLMJJEZDWQDZTF-UHFFFAOYSA-N -1 0 477.051 5.883 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(C)cc4C)ccc3s2)cc1 ZINC000013347521 525618143 /nfs/dbraw/zinc/61/81/43/525618143.db2.gz AWAHZTCHBVUIAS-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000006142865 525618989 /nfs/dbraw/zinc/61/89/89/525618989.db2.gz JIFAVNUXXAYZSW-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000012252757 525633772 /nfs/dbraw/zinc/63/37/72/525633772.db2.gz GVEDYBIJONRMSV-UHFFFAOYSA-N -1 0 481.574 5.088 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)ccc4NC(C)=O)cc3)sc2c1 ZINC000033169213 525654913 /nfs/dbraw/zinc/65/49/13/525654913.db2.gz HBYDXMNVKRUCKY-UHFFFAOYSA-N -1 0 467.572 5.040 50 0 JKAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)c(C)c3)sc2c1 ZINC000033289297 525655885 /nfs/dbraw/zinc/65/58/85/525655885.db2.gz HKCGPDJBYXDGKO-UHFFFAOYSA-N -1 0 450.994 5.796 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2oc1C(=O)N1CCCC1 ZINC000065010514 525941854 /nfs/dbraw/zinc/94/18/54/525941854.db2.gz COTUTRVTTXHGFG-UHFFFAOYSA-N -1 0 454.592 5.518 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2oc1C(=O)N1CCCCCC1 ZINC000065010917 525942112 /nfs/dbraw/zinc/94/21/12/525942112.db2.gz KWPUJDIXEZSELH-UHFFFAOYSA-N -1 0 468.619 5.792 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2oc1C(=O)N1CCCCC1 ZINC000065010683 525942610 /nfs/dbraw/zinc/94/26/10/525942610.db2.gz AHQTYWIJSVAVQH-UHFFFAOYSA-N -1 0 458.555 5.232 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2oc1C(=O)N1CCCCC1 ZINC000065010634 525942674 /nfs/dbraw/zinc/94/26/74/525942674.db2.gz OXGQSSXSQOKVSX-UHFFFAOYSA-N -1 0 454.592 5.402 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2oc1C(=O)N1CCCCCC1 ZINC000065011007 525943392 /nfs/dbraw/zinc/94/33/92/525943392.db2.gz AOCRPTMPCYKFQS-UHFFFAOYSA-N -1 0 472.582 5.623 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2oc1C(=O)N1CCCCCC1 ZINC000065010905 525944042 /nfs/dbraw/zinc/94/40/42/525944042.db2.gz AFTORRBOSFOXAJ-UHFFFAOYSA-N -1 0 475.010 5.828 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3C)c2oc1C(=O)N1CCCCCC1 ZINC000065010948 525944412 /nfs/dbraw/zinc/94/44/12/525944412.db2.gz VVRDIRPVVCNCKB-UHFFFAOYSA-N -1 0 454.592 5.483 50 0 JKAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2oc1C(=O)N1CCCCC1 ZINC000065010602 525945327 /nfs/dbraw/zinc/94/53/27/525945327.db2.gz DSAGDKBIOSPRHL-UHFFFAOYSA-N -1 0 454.592 5.402 50 0 JKAARM CSc1cccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)C3CC3)s2)c1 ZINC000033306637 526137830 /nfs/dbraw/zinc/13/78/30/526137830.db2.gz NCIPESXUBRGBBN-CSKARUKUSA-N -1 0 475.617 5.086 50 0 JKAARM Cc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078578 526221828 /nfs/dbraw/zinc/22/18/28/526221828.db2.gz ARMSZKZOEWFQGU-UHFFFAOYSA-N -1 0 463.965 5.234 50 0 JKAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000020294359 526291274 /nfs/dbraw/zinc/29/12/74/526291274.db2.gz BUJFIKXOHWUPTI-UHFFFAOYSA-N -1 0 495.251 5.480 50 0 JKAARM O=C([O-])[C@H]1CCc2sc3nc(SCc4ccc(Cl)cc4)n(-c4ccccc4)c(=O)c3c21 ZINC000002180945 526330886 /nfs/dbraw/zinc/33/08/86/526330886.db2.gz OECYVHHXBSYYHR-INIZCTEOSA-N -1 0 468.987 5.507 50 0 JKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492119 526342279 /nfs/dbraw/zinc/34/22/79/526342279.db2.gz LXZYOBJWVXXCNG-UHFFFAOYSA-N -1 0 473.124 5.515 50 0 JKAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000033260807 526348559 /nfs/dbraw/zinc/34/85/59/526348559.db2.gz ZJCSFAHJGDATOS-UHFFFAOYSA-N -1 0 486.959 5.165 50 0 JKAARM O=C([O-])c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033253919 526372205 /nfs/dbraw/zinc/37/22/05/526372205.db2.gz QSHHAYKFLZQPBW-UHFFFAOYSA-N -1 0 472.566 5.392 50 0 JKAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccccc2Br)cc1 ZINC000002898745 526375565 /nfs/dbraw/zinc/37/55/65/526375565.db2.gz XZNNBZZZQKJFSU-DEDYPNTBSA-N -1 0 499.748 5.210 50 0 JKAARM O=C([O-])c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 ZINC000018825334 526380355 /nfs/dbraw/zinc/38/03/55/526380355.db2.gz HHFBDROWDBDFBR-UHFFFAOYSA-N -1 0 476.870 5.868 50 0 investigational JKAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000011767283 526396389 /nfs/dbraw/zinc/39/63/89/526396389.db2.gz SHMQLCFNRHPQHR-GGAORHGYSA-N -1 0 471.900 5.002 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)s2)c1NC(=O)C1CC1 ZINC000033306653 526458680 /nfs/dbraw/zinc/45/86/80/526458680.db2.gz JCNKKNOLMXLYMW-CSKARUKUSA-N -1 0 497.520 5.383 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3c(C)cccc3C)c2)sc1C(=O)N1CCCCC1 ZINC000065117086 526623824 /nfs/dbraw/zinc/62/38/24/526623824.db2.gz VCTJOXOAQPXWIT-UHFFFAOYSA-N -1 0 475.661 5.224 50 0 JKAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000016225233 526999907 /nfs/dbraw/zinc/99/99/07/526999907.db2.gz UZVCGEAGTHTCFI-UHFFFAOYSA-N -1 0 457.364 5.203 50 0 JKAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000033429059 527046780 /nfs/dbraw/zinc/04/67/80/527046780.db2.gz NLMAFLBVOBFTMF-ZQSLEGLSSA-N -1 0 451.526 5.105 50 0 JKAARM O=C1S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000015011675 527101883 /nfs/dbraw/zinc/10/18/83/527101883.db2.gz SCOHBOHZAPDQLF-MDWZMJQESA-N -1 0 455.127 5.158 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626425 527206410 /nfs/dbraw/zinc/20/64/10/527206410.db2.gz UJURDDIPJPXNRI-NRFANRHFSA-N -1 0 454.546 5.127 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022626415 527207070 /nfs/dbraw/zinc/20/70/70/527207070.db2.gz CHOMAMFINJPFQZ-NRFANRHFSA-N -1 0 487.456 6.156 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)c1cccs1 ZINC000033276482 527246316 /nfs/dbraw/zinc/24/63/16/527246316.db2.gz JHKKNIIVHRNFSG-UHFFFAOYSA-N -1 0 451.451 5.285 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1cccs1 ZINC000033276471 527246872 /nfs/dbraw/zinc/24/68/72/527246872.db2.gz BPILGUBDFJQSDH-UHFFFAOYSA-N -1 0 462.350 5.028 50 0 JKAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004336 527248083 /nfs/dbraw/zinc/24/80/83/527248083.db2.gz CKYHDILAWKWBGT-UHFFFAOYSA-N -1 0 457.346 5.373 50 0 JKAARM O=S(=O)([N-]c1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(Cl)s1 ZINC000033120986 527248487 /nfs/dbraw/zinc/24/84/87/527248487.db2.gz DOMGMOHBXFIZDG-UHFFFAOYSA-N -1 0 494.041 6.326 50 0 JKAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000065009791 527248525 /nfs/dbraw/zinc/24/85/25/527248525.db2.gz GQQCCFTVMUBXFY-UHFFFAOYSA-N -1 0 477.917 5.929 50 0 JKAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004849 527250704 /nfs/dbraw/zinc/25/07/04/527250704.db2.gz SAUDMIWQNMIWTR-UHFFFAOYSA-N -1 0 458.483 5.760 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1F)c1cccs1 ZINC000017249000 527258905 /nfs/dbraw/zinc/25/89/05/527258905.db2.gz WUGAGAUQTUUXBE-UHFFFAOYSA-N -1 0 479.356 5.137 50 0 JKAARM O=C([N-]C(=O)c1ccccc1Oc1ccc(Cl)cc1Cl)SCc1c(F)cccc1Cl ZINC000008616629 527457866 /nfs/dbraw/zinc/45/78/66/527457866.db2.gz JAJYZXMJTGPCIM-UHFFFAOYSA-N -1 0 484.763 7.361 50 0 JKAARM O=C([O-])C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc2ccccc2s1 ZINC000033375058 527550820 /nfs/dbraw/zinc/55/08/20/527550820.db2.gz WAKBEYPUEFRPAX-RGEXLXHISA-N -1 0 477.545 6.911 50 0 JKAARM O=C([O-])CC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000027527724 527569773 /nfs/dbraw/zinc/56/97/73/527569773.db2.gz PELWDRZCEDMWHB-HSZRJFAPSA-N -1 0 452.432 5.634 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(Cl)c(Cl)c4)c(Cl)c1=O)(C3)C2 ZINC000016385567 527570692 /nfs/dbraw/zinc/57/06/92/527570692.db2.gz NZGJUYTVKZQWGZ-DRUBFKJYSA-N -1 0 482.795 5.717 50 0 JKAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(F)c(Cl)c4)c(Cl)c1=O)(C3)C2 ZINC000016385572 527570724 /nfs/dbraw/zinc/57/07/24/527570724.db2.gz MUEIRPJHJZSBMC-DRUBFKJYSA-N -1 0 466.340 5.203 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000033657266 527571589 /nfs/dbraw/zinc/57/15/89/527571589.db2.gz LLZZKDDEAGYORC-WDPMDDHKSA-N -1 0 457.357 5.981 50 0 JKAARM O=C([O-])CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 ZINC000003966076 527593914 /nfs/dbraw/zinc/59/39/14/527593914.db2.gz KWLUIYFCMHKLKY-NDEPHWFRSA-N -1 0 487.640 6.351 50 0 in-vivo JKAARM O=C([O-])C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575657 527633071 /nfs/dbraw/zinc/63/30/71/527633071.db2.gz LHOASNXTOYNEHC-SFHVURJKSA-N -1 0 469.459 5.630 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000242543350 574420578 /nfs/dbraw/zinc/42/05/78/574420578.db2.gz JXSVIVRDWWRQRT-JGXKKWHCSA-N -1 0 488.709 5.033 50 0 endogenous,in-man JKAARM O=C(COc1ccc(Cl)cc1Cl)N1[N-]C(=S)SC=C1c1ccc(Br)cc1 ZINC000000639505 553722851 /nfs/dbraw/zinc/72/28/51/553722851.db2.gz GRZJOKIJSSDXMV-UHFFFAOYSA-N -1 0 490.231 5.910 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1C ZINC000000639060 553722882 /nfs/dbraw/zinc/72/28/82/553722882.db2.gz TWSQWVXXPMQNDE-UHFFFAOYSA-N -1 0 461.952 5.213 50 0 JKAARM CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)N(C)c3ccccc3C(=O)[O-])c3ccccc3n2)c1 ZINC000000649480 553730791 /nfs/dbraw/zinc/73/07/91/553730791.db2.gz ZZTKZVJSKGFVJV-UHFFFAOYSA-N -1 0 499.592 5.538 50 0 JKAARM COC(=O)c1c([N-]C(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000000721267 553772818 /nfs/dbraw/zinc/77/28/18/553772818.db2.gz INGMCCWSRFDOTR-UHFFFAOYSA-N -1 0 484.418 5.059 50 0 JKAARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000000784907 553780696 /nfs/dbraw/zinc/78/06/96/553780696.db2.gz SNHNZCMOSVVRHT-WRONEBCDSA-N -1 0 497.551 5.505 50 0 JKAARM O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000802066 553784496 /nfs/dbraw/zinc/78/44/96/553784496.db2.gz HGFHUHMLZIJOAS-UHFFFAOYSA-N -1 0 455.750 5.700 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccccc1 ZINC000000843775 553794424 /nfs/dbraw/zinc/79/44/24/553794424.db2.gz MMBRGOFXLZCPGQ-UHFFFAOYSA-N -1 0 471.365 6.200 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2)n1 ZINC000000848825 553797625 /nfs/dbraw/zinc/79/76/25/553797625.db2.gz OYHGWICVDBVXOF-UHFFFAOYSA-N -1 0 465.604 5.378 50 0 JKAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938085 553875280 /nfs/dbraw/zinc/87/52/80/553875280.db2.gz MWJOWUYEWYOJSE-JTQLQIEISA-N -1 0 472.111 5.073 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1 ZINC000000939277 553875808 /nfs/dbraw/zinc/87/58/08/553875808.db2.gz MBXBAQKGWCXTKR-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM CC(C)(C)[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 ZINC000000944096 553878386 /nfs/dbraw/zinc/87/83/86/553878386.db2.gz XSDQVGQIZKDGDN-CYBMUJFWSA-N -1 0 452.403 6.691 50 0 JKAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000000945483 553879356 /nfs/dbraw/zinc/87/93/56/553879356.db2.gz YVXPTZKSWBKBEZ-UHFFFAOYSA-N -1 0 472.979 5.015 50 0 JKAARM Cc1ccc(N(C(=O)c2ccccc2Br)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000000956466 553884216 /nfs/dbraw/zinc/88/42/16/553884216.db2.gz RCKLVCPXAMYIHO-JOCHJYFZSA-N -1 0 477.358 5.045 50 0 JKAARM CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c([O-])c(NC(=O)OC)c21 ZINC000000978598 553889960 /nfs/dbraw/zinc/88/99/60/553889960.db2.gz MPVBPFWCTACMTQ-UHFFFAOYSA-N -1 0 493.379 5.294 50 0 JKAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000001178574 553927323 /nfs/dbraw/zinc/92/73/23/553927323.db2.gz VKUPHZGGTYKYQZ-HAHDFKILSA-N -1 0 482.467 5.770 50 0 JKAARM CC(C)(C)Oc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000001576236 553979232 /nfs/dbraw/zinc/97/92/32/553979232.db2.gz JAUKCFULLJFBFN-RUZDIDTESA-N -1 0 459.542 5.398 50 0 in-vitro JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000001776144 553987800 /nfs/dbraw/zinc/98/78/00/553987800.db2.gz PGFLKHUPXLJVNM-UHFFFAOYSA-N -1 0 460.946 5.981 50 0 JKAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)s1 ZINC000001779614 553988211 /nfs/dbraw/zinc/98/82/11/553988211.db2.gz WMBHQKKKQODTML-UHFFFAOYSA-N -1 0 479.008 5.022 50 0 JKAARM COc1ccc(/C=C/C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1OC ZINC000002060051 554016447 /nfs/dbraw/zinc/01/64/47/554016447.db2.gz VVOZMHBSPMDSET-ONNFQVAWSA-N -1 0 488.359 5.545 50 0 JKAARM CC(C)(C)c1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1 ZINC000002060182 554016746 /nfs/dbraw/zinc/01/67/46/554016746.db2.gz BGIAQYBWRQCSGM-UHFFFAOYSA-N -1 0 458.377 6.426 50 0 JKAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000002103137 554043583 /nfs/dbraw/zinc/04/35/83/554043583.db2.gz OVLBBQYBVGJVMU-UHFFFAOYSA-N -1 0 487.552 5.454 50 0 biogenic JKAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(=O)OCC)cc1 ZINC000002109098 554049005 /nfs/dbraw/zinc/04/90/05/554049005.db2.gz OPVPUNRPNYVSGT-NHCUHLMSSA-N -1 0 483.630 6.320 50 0 JKAARM CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(=O)OCC)cc1 ZINC000002109096 554049021 /nfs/dbraw/zinc/04/90/21/554049021.db2.gz OPVPUNRPNYVSGT-LEWJYISDSA-N -1 0 483.630 6.320 50 0 JKAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002112662 554051197 /nfs/dbraw/zinc/05/11/97/554051197.db2.gz QEVXBZJTNQAORY-NRFANRHFSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002115563 554053093 /nfs/dbraw/zinc/05/30/93/554053093.db2.gz DSXITESIBAFKCN-HXUWFJFHSA-N -1 0 467.905 5.080 50 0 biogenic JKAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002115746 554053396 /nfs/dbraw/zinc/05/33/96/554053396.db2.gz SUQMFFPLMCQXPQ-FQEVSTJZSA-N -1 0 499.972 5.033 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002116721 554053723 /nfs/dbraw/zinc/05/37/23/554053723.db2.gz PQMRWCWEEYKBCZ-UHFFFAOYSA-N -1 0 475.541 5.517 50 0 biogenic JKAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002117734 554053874 /nfs/dbraw/zinc/05/38/74/554053874.db2.gz IDQAPIAOEFXQBG-SHACYNPGSA-N -1 0 475.541 5.289 50 0 biogenic JKAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002123120 554057115 /nfs/dbraw/zinc/05/71/15/554057115.db2.gz QEBIYIVZDRVSTE-OAQYLSRUSA-N -1 0 461.514 5.125 50 0 biogenic JKAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002126224 554058248 /nfs/dbraw/zinc/05/82/48/554058248.db2.gz XUIOYNUCBBVLOI-DEOSSOPVSA-N -1 0 495.531 5.178 50 0 biogenic JKAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000002152811 554071101 /nfs/dbraw/zinc/07/11/01/554071101.db2.gz ATXSCTNMZRRSPG-UHFFFAOYSA-N -1 0 463.783 5.023 50 0 JKAARM CC(C)(C)c1ccc(-c2nnc(-c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000002163082 554074931 /nfs/dbraw/zinc/07/49/31/554074931.db2.gz NWRPBSSZGVEOME-UHFFFAOYSA-N -1 0 467.978 6.155 50 0 JKAARM CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(C(=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000002189777 554085266 /nfs/dbraw/zinc/08/52/66/554085266.db2.gz UFBFHFBQPYKIOS-UHFFFAOYSA-N -1 0 473.598 6.134 50 0 JKAARM O=S(=O)([N-]c1cc2nc3ccccc3nc2n1-c1ccccc1)c1ccc2ccccc2c1 ZINC000002215837 554097857 /nfs/dbraw/zinc/09/78/57/554097857.db2.gz MATAVBVMUDASBU-UHFFFAOYSA-N -1 0 450.523 5.528 50 0 JKAARM Cc1cc2c(cc1C)CSC(c1cc(Br)cc(Br)c1[O-])SC2 ZINC000002268097 554125615 /nfs/dbraw/zinc/12/56/15/554125615.db2.gz CUPPDGXDDGSZIT-UHFFFAOYSA-N -1 0 460.256 6.713 50 0 JKAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000002291439 554135611 /nfs/dbraw/zinc/13/56/11/554135611.db2.gz QPMHGOFJMIYSIG-UHFFFAOYSA-N -1 0 455.539 5.564 50 0 JKAARM COc1cc2cccnc2c(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000002293431 554136581 /nfs/dbraw/zinc/13/65/81/554136581.db2.gz UAEULXQFHDLVMJ-UHFFFAOYSA-N -1 0 483.549 5.450 50 0 biogenic JKAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002331186 554151436 /nfs/dbraw/zinc/15/14/36/554151436.db2.gz XRDSESQUYATFGH-UHFFFAOYSA-N -1 0 489.384 5.358 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000002350232 554161112 /nfs/dbraw/zinc/16/11/12/554161112.db2.gz IKVMZJFVNGZDRZ-UHFFFAOYSA-N -1 0 461.330 5.187 50 0 JKAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002374078 554172529 /nfs/dbraw/zinc/17/25/29/554172529.db2.gz WBJQXPGQPCQWQU-UHFFFAOYSA-N -1 0 475.357 5.490 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000002373976 554172568 /nfs/dbraw/zinc/17/25/68/554172568.db2.gz DYWADYLSDWXVEG-PVTPYKNESA-N -1 0 476.532 5.068 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000002374558 554172701 /nfs/dbraw/zinc/17/27/01/554172701.db2.gz YNLACUJTVDNZDN-UHFFFAOYSA-N -1 0 468.538 5.967 50 0 JKAARM CC[C@H](NC(=O)c1cc(Cl)c(C)c(Cl)c1[O-])Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000002385108 554177340 /nfs/dbraw/zinc/17/73/40/554177340.db2.gz AXOAKZFQANXHKD-JOCHJYFZSA-N -1 0 494.503 7.928 50 0 JKAARM O=C([O-])C[C@H](Cc1cccc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385962 554177581 /nfs/dbraw/zinc/17/75/81/554177581.db2.gz QKDVUQGMQTZWKV-NRFANRHFSA-N -1 0 451.522 5.764 50 0 JKAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386917 554177855 /nfs/dbraw/zinc/17/78/55/554177855.db2.gz PGIMVGROPOKRNA-JOCHJYFZSA-N -1 0 456.325 5.528 50 0 JKAARM O=C([O-])[C@H](Cc1ccccc1C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386922 554177872 /nfs/dbraw/zinc/17/78/72/554177872.db2.gz KSQOLKMHJFBQNA-QFIPXVFZSA-N -1 0 455.432 5.240 50 0 JKAARM Cc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)ccc1Br ZINC000002397949 554183926 /nfs/dbraw/zinc/18/39/26/554183926.db2.gz OZOVQCPIHLPOFG-UHFFFAOYSA-N -1 0 487.354 5.384 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002411804 554192333 /nfs/dbraw/zinc/19/23/33/554192333.db2.gz JZTYCTPHAOYGIO-UHFFFAOYSA-N -1 0 466.994 6.170 50 0 JKAARM COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3C(=O)[O-])c(-c3ccccc3)c2)cc1 ZINC000002422781 554199336 /nfs/dbraw/zinc/19/93/36/554199336.db2.gz ZXXLQJJHBRONBL-UHFFFAOYSA-N -1 0 456.541 8.061 50 0 JKAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000002429087 554203799 /nfs/dbraw/zinc/20/37/99/554203799.db2.gz HFUBQEKNRUKJGU-UHFFFAOYSA-N -1 0 490.585 5.358 50 0 JKAARM CCOC(=O)c1c(C)nc([N-]c2nc3ccccc3s2)nc1CSc1nc2ccccc2s1 ZINC000002431808 554205199 /nfs/dbraw/zinc/20/51/99/554205199.db2.gz VCATWHZJBIEXCN-UHFFFAOYSA-N -1 0 493.639 6.217 50 0 JKAARM Cc1c2cc(Cl)c(OCc3ccccc3Br)cc2oc(=O)c1CCC(=O)[O-] ZINC000002446715 554213938 /nfs/dbraw/zinc/21/39/38/554213938.db2.gz LCRKCCIXZLXLHS-UHFFFAOYSA-N -1 0 451.700 5.114 50 0 JKAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1Cl ZINC000002505585 554230328 /nfs/dbraw/zinc/23/03/28/554230328.db2.gz GQCANHDOGYQXNY-JOCHJYFZSA-N -1 0 456.325 6.048 50 0 JKAARM O=C([O-])c1c2cc(Cl)ccc2nc(-c2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 ZINC000002576535 554237022 /nfs/dbraw/zinc/23/70/22/554237022.db2.gz AMGCQLZXQVUYMV-UHFFFAOYSA-N -1 0 460.769 7.711 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)cc1 ZINC000002605581 554240716 /nfs/dbraw/zinc/24/07/16/554240716.db2.gz SNVNRIDDSBMETN-UHFFFAOYSA-N -1 0 499.390 5.254 50 0 JKAARM Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2cc1C(C)C ZINC000002617849 554242206 /nfs/dbraw/zinc/24/22/06/554242206.db2.gz MIRWRDSSTISECC-UHFFFAOYSA-N -1 0 469.588 5.303 50 0 JKAARM COc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 ZINC000002623422 554247406 /nfs/dbraw/zinc/24/74/06/554247406.db2.gz DCVLSGZJPMXMOW-UHFFFAOYSA-N -1 0 451.331 5.055 50 0 JKAARM Cc1c(C(=O)[O-])sc2nc(C)nc(S[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c12 ZINC000002626517 554249754 /nfs/dbraw/zinc/24/97/54/554249754.db2.gz HWSCZIUCMJSPAU-MRVPVSSYSA-N -1 0 489.928 5.798 50 0 JKAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1Cl ZINC000002627000 554250318 /nfs/dbraw/zinc/25/03/18/554250318.db2.gz OWXVQAPSLHCCRQ-UHFFFAOYSA-N -1 0 498.866 5.110 50 0 JKAARM COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002639981 554259478 /nfs/dbraw/zinc/25/94/78/554259478.db2.gz SXONJABGRIKQMD-UHFFFAOYSA-N -1 0 450.491 5.041 50 0 aggregator JKAARM O=C(NC1CCCC1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000002646445 554263956 /nfs/dbraw/zinc/26/39/56/554263956.db2.gz XAZQAJWMTSLMQB-UHFFFAOYSA-N -1 0 481.323 5.485 50 0 JKAARM CCc1cccc(CC)c1-n1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccnc1 ZINC000002658871 554273200 /nfs/dbraw/zinc/27/32/00/554273200.db2.gz VKERRRFJDWGRBU-UHFFFAOYSA-N -1 0 474.615 5.044 50 0 JKAARM Cc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C(=O)[O-])c4)n2)Cc2ccccc2O3)cc1 ZINC000002713395 554298691 /nfs/dbraw/zinc/29/86/91/554298691.db2.gz FDTQMVHFUGAGNZ-UHFFFAOYSA-N -1 0 483.549 5.578 50 0 JKAARM Cc1ccc(-c2cc(C(F)F)nc3sc4c([n-]c(-c5c(O)ccc6ccccc65)nc4=O)c32)s1 ZINC000002730811 554314977 /nfs/dbraw/zinc/31/49/77/554314977.db2.gz UBCGFDMAIWSUQL-UHFFFAOYSA-N -1 0 491.544 7.033 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)cc2)cc1 ZINC000002744441 554322993 /nfs/dbraw/zinc/32/29/93/554322993.db2.gz VKGSSJPOFQCBKS-UHFFFAOYSA-N -1 0 483.549 5.856 50 0 JKAARM O=C([N-]c1c(F)c(F)c(Br)c(F)c1F)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002777565 554340390 /nfs/dbraw/zinc/34/03/90/554340390.db2.gz VNXFHOQQGUIPOR-UHFFFAOYSA-N -1 0 479.178 5.116 50 0 JKAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000002783062 554342738 /nfs/dbraw/zinc/34/27/38/554342738.db2.gz IQXMTAGKSKCIEY-RBUKOAKNSA-N -1 0 454.592 5.332 50 0 JKAARM O=C([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000002908735 554410704 /nfs/dbraw/zinc/41/07/04/554410704.db2.gz FSYMCIOQZZRFBL-UHFFFAOYSA-N -1 0 498.174 6.634 50 0 JKAARM O=C(C=C([O-])c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1 ZINC000002963075 554413281 /nfs/dbraw/zinc/41/32/81/554413281.db2.gz MQWKDISYPJVELY-VBKFSLOCSA-N -1 0 490.350 6.243 50 0 JKAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000003004444 554422641 /nfs/dbraw/zinc/42/26/41/554422641.db2.gz FJWFKZSMLBSIAT-JLPGSUDCSA-N -1 0 464.477 5.214 50 0 JKAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000003217006 554431857 /nfs/dbraw/zinc/43/18/57/554431857.db2.gz ORVSMPAXNPMGJW-UHFFFAOYSA-N -1 0 495.815 6.041 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003244559 554436299 /nfs/dbraw/zinc/43/62/99/554436299.db2.gz HMZSJWAFLDLMLU-UHFFFAOYSA-N -1 0 499.548 5.557 50 0 JKAARM CCCCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003283041 554442396 /nfs/dbraw/zinc/44/23/96/554442396.db2.gz MEBFSQSLQSLVFE-UHFFFAOYSA-N -1 0 490.585 5.288 50 0 JKAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000003286299 554443506 /nfs/dbraw/zinc/44/35/06/554443506.db2.gz UXOBTVCNMOBATH-UHFFFAOYSA-N -1 0 489.435 6.195 50 0 JKAARM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000003287660 554443790 /nfs/dbraw/zinc/44/37/90/554443790.db2.gz CPDSZQDJUZTJHY-UHFFFAOYSA-N -1 0 498.601 5.063 50 0 JKAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000003328194 554452256 /nfs/dbraw/zinc/45/22/56/554452256.db2.gz RHQLJCDRFQVJFG-UHFFFAOYSA-N -1 0 488.978 5.066 50 0 JKAARM Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000003328404 554452549 /nfs/dbraw/zinc/45/25/49/554452549.db2.gz TZWMGMHMKARZDJ-UHFFFAOYSA-N -1 0 456.930 5.584 50 0 JKAARM O=S(=O)([N-]c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000003331640 554453162 /nfs/dbraw/zinc/45/31/62/554453162.db2.gz BGRNKBIVYIIVRT-UHFFFAOYSA-N -1 0 477.895 6.012 50 0 JKAARM CCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003340807 554454508 /nfs/dbraw/zinc/45/45/08/554454508.db2.gz KMCXPLRLVXJKGM-UHFFFAOYSA-N -1 0 495.475 5.468 50 0 JKAARM O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003630306 554467715 /nfs/dbraw/zinc/46/77/15/554467715.db2.gz VXWNWOPSPNIXEH-UHFFFAOYSA-N -1 0 498.446 5.116 50 0 JKAARM O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000004005594 554472272 /nfs/dbraw/zinc/47/22/72/554472272.db2.gz DPCYVTLHSJTHTE-UHFFFAOYSA-N -1 0 481.813 7.366 50 0 JKAARM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2C1 ZINC000004349905 554477226 /nfs/dbraw/zinc/47/72/26/554477226.db2.gz KLHSKTMVSOWVLD-VJULUPBDSA-N -1 0 472.710 6.204 50 0 JKAARM CC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000006056170 554500936 /nfs/dbraw/zinc/50/09/36/554500936.db2.gz GISLDICXCIUEJM-UHFFFAOYSA-N -1 0 495.557 5.205 50 0 JKAARM CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000006060073 554500958 /nfs/dbraw/zinc/50/09/58/554500958.db2.gz SFCIJRKKAVHIJE-KRWDZBQOSA-N -1 0 460.603 6.305 50 0 JKAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006141561 554508389 /nfs/dbraw/zinc/50/83/89/554508389.db2.gz YSURTYMTCDQULV-GFCCVEGCSA-N -1 0 499.397 5.040 50 0 JKAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)c1ccccc1 ZINC000006144534 554510287 /nfs/dbraw/zinc/51/02/87/554510287.db2.gz AHIFDVPPABCIJE-AWEZNQCLSA-N -1 0 478.353 5.222 50 0 JKAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000006146670 554510694 /nfs/dbraw/zinc/51/06/94/554510694.db2.gz SLCKJFXMHOBLBY-UHFFFAOYSA-N -1 0 459.365 5.119 50 0 JKAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1C ZINC000006146566 554510787 /nfs/dbraw/zinc/51/07/87/554510787.db2.gz AEDIRRQDRRRZNV-UHFFFAOYSA-N -1 0 456.995 5.304 50 0 JKAARM CCCCCCc1cc2c(cc1[O-])oc(C(=O)OCC)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000006172765 554514443 /nfs/dbraw/zinc/51/44/43/554514443.db2.gz WAGFYMQEPPFQRS-UHFFFAOYSA-N -1 0 460.530 5.651 50 0 JKAARM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000006266825 554523175 /nfs/dbraw/zinc/52/31/75/554523175.db2.gz WVQNEZZPZOMJEE-UHFFFAOYSA-N -1 0 459.571 5.631 50 0 JKAARM CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)cc1 ZINC000006472206 554543379 /nfs/dbraw/zinc/54/33/79/554543379.db2.gz LWKSSHLNCJUBSP-UHFFFAOYSA-N -1 0 474.513 5.236 50 0 JKAARM CC(C)(C)c1cc([O-])c(Sc2cc(Cl)c(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000008384903 554568034 /nfs/dbraw/zinc/56/80/34/554568034.db2.gz XLIBXYRGBONSMO-UHFFFAOYSA-N -1 0 454.806 6.952 50 0 JKAARM CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2C(=O)[O-])C(=O)C1 ZINC000008386998 554569834 /nfs/dbraw/zinc/56/98/34/554569834.db2.gz XAJFPZPUIZSONS-BWVKTOMCSA-N -1 0 462.671 6.283 50 0 JKAARM O=C(Nc1cccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)c1)c1ccco1 ZINC000008417579 554579211 /nfs/dbraw/zinc/57/92/11/554579211.db2.gz JBCBADGADRFOJO-UHFFFAOYSA-N -1 0 480.112 5.015 50 0 JKAARM CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008453950 554599366 /nfs/dbraw/zinc/59/93/66/554599366.db2.gz BNCLUKHSEJVMNQ-OLZOCXBDSA-N -1 0 468.358 5.504 50 0 JKAARM CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000008456217 554600234 /nfs/dbraw/zinc/60/02/34/554600234.db2.gz OTJABGLNFNSTKM-SKWRMQMOSA-N -1 0 491.565 5.076 50 0 JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000008762296 554662180 /nfs/dbraw/zinc/66/21/80/554662180.db2.gz PGGXZDOWEGQSCF-ZYEOYJIVSA-N -1 0 485.665 5.752 50 0 biogenic JKAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c4cc32)cc1 ZINC000008790513 554683758 /nfs/dbraw/zinc/68/37/58/554683758.db2.gz MDKHJHRKUTVPQK-UHFFFAOYSA-N -1 0 461.514 5.127 50 0 biogenic JKAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000008829209 554719658 /nfs/dbraw/zinc/71/96/58/554719658.db2.gz XQGHSLYQBZDYJO-FQEVSTJZSA-N -1 0 489.915 5.396 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000008830934 554720539 /nfs/dbraw/zinc/72/05/39/554720539.db2.gz MZBURFSISKNQGR-UHFFFAOYSA-N -1 0 456.885 6.533 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000008836446 554736296 /nfs/dbraw/zinc/73/62/96/554736296.db2.gz DIPLYOJQNITZAR-UHFFFAOYSA-N -1 0 474.567 6.028 50 0 JKAARM Cc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)ccc1Br ZINC000008836448 554736363 /nfs/dbraw/zinc/73/63/63/554736363.db2.gz HIIZIHKNZFUXKE-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)ccc2C)cc1 ZINC000008836432 554736374 /nfs/dbraw/zinc/73/63/74/554736374.db2.gz XZFNSHFFSPYRHF-UHFFFAOYSA-N -1 0 454.939 5.145 50 0 JKAARM C[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc5c6c(cccc64)C(=O)N5C)c4ccccc34)c2C1 ZINC000008870444 554765604 /nfs/dbraw/zinc/76/56/04/554765604.db2.gz IKVXXYCCPFDVBD-MRXNPFEDSA-N -1 0 496.588 6.255 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)c1 ZINC000008870996 554765894 /nfs/dbraw/zinc/76/58/94/554765894.db2.gz SRKCLTMPDKRYGT-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000008956103 554836985 /nfs/dbraw/zinc/83/69/85/554836985.db2.gz QLTGGASIGLMESI-UHFFFAOYSA-N -1 0 471.991 5.620 50 0 JKAARM Cc1ccc2nc([N-]C(NC(=O)CCc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000009011792 554864366 /nfs/dbraw/zinc/86/43/66/554864366.db2.gz UNBMZLCMXPXPQS-UHFFFAOYSA-N -1 0 461.431 5.587 50 0 JKAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000009028793 554867383 /nfs/dbraw/zinc/86/73/83/554867383.db2.gz SBWKRRMWHAHSRD-UHFFFAOYSA-N -1 0 485.359 5.130 50 0 JKAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])[C@@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009057100 554876322 /nfs/dbraw/zinc/87/63/22/554876322.db2.gz DVSLBDAAWVEUTF-LBNVMWSVSA-N -1 0 472.516 5.225 50 0 JKAARM CC(C)c1ccc2nc([N-]C(NC(=O)Cc3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000009111308 554898769 /nfs/dbraw/zinc/89/87/69/554898769.db2.gz TWMLJLPVXAZDOM-UHFFFAOYSA-N -1 0 475.458 6.011 50 0 JKAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009134414 554932001 /nfs/dbraw/zinc/93/20/01/554932001.db2.gz DNFSAILNSDSNTF-UHFFFAOYSA-N -1 0 460.437 5.370 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)Nc2cc(C)cc(C)c2)ccc1Cl ZINC000009138928 554934149 /nfs/dbraw/zinc/93/41/49/554934149.db2.gz UAESCBDZPWVNHD-UHFFFAOYSA-N -1 0 476.023 5.575 50 0 JKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000009209395 554978375 /nfs/dbraw/zinc/97/83/75/554978375.db2.gz IPEDETQKXBAIAU-WYMLVPIESA-N -1 0 450.321 7.377 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1SCc1ccccc1F ZINC000009224144 554995229 /nfs/dbraw/zinc/99/52/29/554995229.db2.gz LTSAHPDDBLSSSS-UHFFFAOYSA-N -1 0 499.614 5.628 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c[nH]nc2c1)c1ccc2ccccc2c1 ZINC000009243132 555017961 /nfs/dbraw/zinc/01/79/61/555017961.db2.gz FOUNWNROZNBWLJ-UHFFFAOYSA-N -1 0 466.526 5.204 50 0 JKAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000009260633 555035276 /nfs/dbraw/zinc/03/52/76/555035276.db2.gz UHCYXOGKUUBRBR-HHHXNRCGSA-N -1 0 492.579 5.780 50 0 JKAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000009287816 555061263 /nfs/dbraw/zinc/06/12/63/555061263.db2.gz DBBPQMWXSBYRKK-OAHLLOKOSA-N -1 0 452.894 5.005 50 0 JKAARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 ZINC000009295934 555072337 /nfs/dbraw/zinc/07/23/37/555072337.db2.gz RULHMXBFJFDUQW-XKZIYDEJSA-N -1 0 463.486 5.339 50 0 JKAARM COc1ccc(Cl)c2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)nc21 ZINC000009325709 555097383 /nfs/dbraw/zinc/09/73/83/555097383.db2.gz BYLHTYFNRNFMDY-UHFFFAOYSA-N -1 0 487.990 5.320 50 0 JKAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cc(C)ccc4C)=NN32)c(C(=O)[O-])c1OC ZINC000009331188 555101119 /nfs/dbraw/zinc/10/11/19/555101119.db2.gz ROEKFNGYBTZDBZ-KDYSTLNUSA-N -1 0 488.540 5.270 50 0 JKAARM COc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc5ccccc5c(-c5ccccc5)n4)nc3C2)cc1 ZINC000009347733 555113723 /nfs/dbraw/zinc/11/37/23/555113723.db2.gz JLFQRWMVHMYERB-FQEVSTJZSA-N -1 0 473.536 5.752 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000009349143 555115732 /nfs/dbraw/zinc/11/57/32/555115732.db2.gz OEOHYZVOMLNDOX-UHFFFAOYSA-N -1 0 470.934 5.456 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000009354775 555119147 /nfs/dbraw/zinc/11/91/47/555119147.db2.gz TTYIGXLSHHPQDP-UHFFFAOYSA-N -1 0 451.573 5.275 50 0 JKAARM COc1ccc2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009358359 555122746 /nfs/dbraw/zinc/12/27/46/555122746.db2.gz QIQUPIJNNLPCJE-FQEVSTJZSA-N -1 0 472.328 5.093 50 0 JKAARM CCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000009369261 555132925 /nfs/dbraw/zinc/13/29/25/555132925.db2.gz QPFLDMILQUACAE-UHFFFAOYSA-N -1 0 450.486 5.058 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=S)NC3CCCCC3)ccc2Cl)cc1 ZINC000009373370 555135123 /nfs/dbraw/zinc/13/51/23/555135123.db2.gz HRNLHHLJOHETKI-UHFFFAOYSA-N -1 0 468.044 5.159 50 0 JKAARM Cc1nc2c(ccc3nc(NC(=O)c4ccccc4[N-]S(=O)(=O)c4ccc(C)cc4)sc32)s1 ZINC000009404221 555162405 /nfs/dbraw/zinc/16/24/05/555162405.db2.gz IYSZMKZOHMGDKZ-UHFFFAOYSA-N -1 0 494.623 5.576 50 0 JKAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000009426176 555191020 /nfs/dbraw/zinc/19/10/20/555191020.db2.gz FWCCSRRANQWJMB-UHFFFAOYSA-N -1 0 489.380 5.816 50 0 JKAARM COc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000009427332 555192097 /nfs/dbraw/zinc/19/20/97/555192097.db2.gz PAOUSIQTYVKBIL-VWYPKUQYSA-N -1 0 476.532 5.068 50 0 JKAARM Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@@H](c4cccs4)C3)c(-c3ccccc3)c2c1 ZINC000009427748 555193028 /nfs/dbraw/zinc/19/30/28/555193028.db2.gz JUESWOGYRKVZQF-OAQYLSRUSA-N -1 0 485.565 5.108 50 0 JKAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(OC)cc4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000009427712 555193049 /nfs/dbraw/zinc/19/30/49/555193049.db2.gz CVLKRGORSAPVMY-HSZRJFAPSA-N -1 0 495.963 5.228 50 0 JKAARM O=C(Nc1cccc(Br)c1)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000009434915 555205750 /nfs/dbraw/zinc/20/57/50/555205750.db2.gz ZJKXJQAFPALSLR-ROMGYVFFSA-N -1 0 450.292 5.081 50 0 JKAARM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(Cl)c1Cl ZINC000009493507 555275755 /nfs/dbraw/zinc/27/57/55/555275755.db2.gz QPJDVOBIXAPILT-UHFFFAOYSA-N -1 0 491.805 5.248 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2c(C)onc2-c2ccccc2)ccc1C ZINC000009506911 555290577 /nfs/dbraw/zinc/29/05/77/555290577.db2.gz ITWXTLPLGWSPCB-UHFFFAOYSA-N -1 0 477.542 5.020 50 0 JKAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1Cl ZINC000009509028 555296223 /nfs/dbraw/zinc/29/62/23/555296223.db2.gz IZRIMTLJHGVDNI-UHFFFAOYSA-N -1 0 495.384 5.372 50 0 JKAARM O=C(C=Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000009513694 555304025 /nfs/dbraw/zinc/30/40/25/555304025.db2.gz UXMGGKWOKLGIAG-DHZHZOJOSA-N -1 0 469.488 5.246 50 0 JKAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)sc2c1CCCC2 ZINC000009526084 555319872 /nfs/dbraw/zinc/31/98/72/555319872.db2.gz IQKQDTUBMGUPTI-UHFFFAOYSA-N -1 0 451.610 5.045 50 0 JKAARM CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000009546257 555341002 /nfs/dbraw/zinc/34/10/02/555341002.db2.gz GBLHMHXIRXRKPV-UHFFFAOYSA-N -1 0 468.575 5.154 50 0 JKAARM COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2C(=O)[O-])[C@@H]3c2ccc(OC)cc2)cc1 ZINC000013145790 555343601 /nfs/dbraw/zinc/34/36/01/555343601.db2.gz SRLCPUQDDJJIHT-RKLKXALQSA-N -1 0 496.563 5.839 50 0 JKAARM Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000009557667 555351690 /nfs/dbraw/zinc/35/16/90/555351690.db2.gz AFNMNALKLOHSHO-JOCHJYFZSA-N -1 0 477.977 5.097 50 0 JKAARM COc1ccc([C@H](CC(=O)c2ccccc2)c2c(C)[n-]n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000013150340 555355650 /nfs/dbraw/zinc/35/56/50/555355650.db2.gz HRPNSIGCKYCBPV-JYFHCDHNSA-N -1 0 495.406 6.393 50 0 JKAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCCCCC1)nc3-c1ccc(C(C)C)cc1 ZINC000009560310 555356545 /nfs/dbraw/zinc/35/65/45/555356545.db2.gz DKQUHSMRFCTXHS-UHFFFAOYSA-N -1 0 486.620 5.477 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4cc(C)cc(C)c4)ccc3s2)cc1 ZINC000013347476 555377560 /nfs/dbraw/zinc/37/75/60/555377560.db2.gz QOEGPTOAKVHOOL-UHFFFAOYSA-N -1 0 466.588 5.666 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3s2)cc1 ZINC000013347455 555377707 /nfs/dbraw/zinc/37/77/07/555377707.db2.gz UYZXWANBGKNZKD-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM COc1cc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc(OC)c1 ZINC000013347556 555377886 /nfs/dbraw/zinc/37/78/86/555377886.db2.gz VKLZGOKQKZUQAE-UHFFFAOYSA-N -1 0 498.586 5.067 50 0 JKAARM COc1ccc(C)cc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347566 555377935 /nfs/dbraw/zinc/37/79/35/555377935.db2.gz MGXDSNAWQHTGQC-UHFFFAOYSA-N -1 0 482.587 5.367 50 0 JKAARM Cc1ccc(CNC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)cc1 ZINC000013347560 555377945 /nfs/dbraw/zinc/37/79/45/555377945.db2.gz OZRGDNNRLOJCMK-UHFFFAOYSA-N -1 0 466.588 5.036 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc(C)c(F)c4)ccc3s2)cc1 ZINC000013347542 555377954 /nfs/dbraw/zinc/37/79/54/555377954.db2.gz FCHHWMXZMYHAJR-UHFFFAOYSA-N -1 0 470.551 5.497 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3s2)cc1 ZINC000013348928 555378536 /nfs/dbraw/zinc/37/85/36/555378536.db2.gz NPPPQRBZEIETCJ-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4cccc(C)c4)cc3s2)cc1 ZINC000013348994 555378810 /nfs/dbraw/zinc/37/88/10/555378810.db2.gz PUGANEFDBHPNRK-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000013348978 555378816 /nfs/dbraw/zinc/37/88/16/555378816.db2.gz IKKFELKZUOBRSL-UHFFFAOYSA-N -1 0 468.560 5.058 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3s2)cc1 ZINC000013349023 555378834 /nfs/dbraw/zinc/37/88/34/555378834.db2.gz GLGQRYBHTBBSIX-UHFFFAOYSA-N -1 0 470.551 5.497 50 0 JKAARM Cc1ccc(CNC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000013349044 555378961 /nfs/dbraw/zinc/37/89/61/555378961.db2.gz KHGHIYTXLIIPFG-UHFFFAOYSA-N -1 0 466.588 5.036 50 0 JKAARM CCOc1ccccc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349189 555379131 /nfs/dbraw/zinc/37/91/31/555379131.db2.gz CCNOOSNVUHVUDP-UHFFFAOYSA-N -1 0 496.614 5.757 50 0 JKAARM COc1ccc(C)cc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349230 555379177 /nfs/dbraw/zinc/37/91/77/555379177.db2.gz BEHARFMIDXUHRP-UHFFFAOYSA-N -1 0 496.614 5.675 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Nc4cc(C)cc(C)c4)cc3C)s2)cc1 ZINC000013349178 555379186 /nfs/dbraw/zinc/37/91/86/555379186.db2.gz VYTNRXJSZOCUTG-UHFFFAOYSA-N -1 0 480.615 5.975 50 0 JKAARM CCOc1ccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000013349193 555379195 /nfs/dbraw/zinc/37/91/95/555379195.db2.gz JKDKDKQBZDDATE-UHFFFAOYSA-N -1 0 496.614 5.757 50 0 JKAARM CCc1ccccc1NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000013349201 555379315 /nfs/dbraw/zinc/37/93/15/555379315.db2.gz NGMAWHPLBNPRGQ-UHFFFAOYSA-N -1 0 480.615 5.920 50 0 JKAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c(Cl)c1 ZINC000013349380 555379625 /nfs/dbraw/zinc/37/96/25/555379625.db2.gz REHDMSCNSXFOJI-UHFFFAOYSA-N -1 0 472.979 5.703 50 0 JKAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000009670148 555386271 /nfs/dbraw/zinc/38/62/71/555386271.db2.gz HNDPCWXURSPROY-UHFFFAOYSA-N -1 0 479.385 5.123 50 0 JKAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C)c(C)c3)co2)cc1 ZINC000013360724 555386312 /nfs/dbraw/zinc/38/63/12/555386312.db2.gz KRKWTUVNHJDKPN-UHFFFAOYSA-N -1 0 468.962 6.088 50 0 JKAARM Cc1ccc(C)c(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)c1 ZINC000013361358 555386997 /nfs/dbraw/zinc/38/69/97/555386997.db2.gz LUZYIVPZELFQHA-UHFFFAOYSA-N -1 0 452.561 5.358 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000009670967 555389076 /nfs/dbraw/zinc/38/90/76/555389076.db2.gz HIWHGUAYRUFBFO-UHFFFAOYSA-N -1 0 459.549 5.064 50 0 JKAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679532 555406476 /nfs/dbraw/zinc/40/64/76/555406476.db2.gz DCRYLQKJZVOQEQ-VWLOTQADSA-N -1 0 455.514 5.720 50 0 JKAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000009680328 555408238 /nfs/dbraw/zinc/40/82/38/555408238.db2.gz GXPVXZXOLRVVKU-OAQYLSRUSA-N -1 0 481.624 5.416 50 0 JKAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000009601654 555426791 /nfs/dbraw/zinc/42/67/91/555426791.db2.gz QIBGGEZFDFZCHO-UHFFFAOYSA-N -1 0 483.391 5.499 50 0 JKAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(-n4cccn4)cc3)ccc2Cl)c(C)c1 ZINC000009715765 555448314 /nfs/dbraw/zinc/44/83/14/555448314.db2.gz CJVTWGHPDVDEHQ-UHFFFAOYSA-N -1 0 480.977 5.196 50 0 JKAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000009631487 555460481 /nfs/dbraw/zinc/46/04/81/555460481.db2.gz JJWDFMYUDDAENF-CJLVFECKSA-N -1 0 450.538 5.888 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3sccc3-c3ccccc3)ccc2OC)cc1 ZINC000009739790 555471390 /nfs/dbraw/zinc/47/13/90/555471390.db2.gz NBJCMNNHFZEYGU-UHFFFAOYSA-N -1 0 494.594 5.485 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4Cl)=NN32)c(C(=O)[O-])c1OC ZINC000013551804 555492217 /nfs/dbraw/zinc/49/22/17/555492217.db2.gz PJOCDTPEPTZTAT-YADARESESA-N -1 0 464.905 5.298 50 0 JKAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc54)=NN32)c(C(=O)[O-])c1OC ZINC000013552587 555492842 /nfs/dbraw/zinc/49/28/42/555492842.db2.gz YNUKXPZBHZYHKC-QDPGVEIFSA-N -1 0 480.520 5.798 50 0 JKAARM COc1cccc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)c1OCC(=O)[O-] ZINC000009804777 555516592 /nfs/dbraw/zinc/51/65/92/555516592.db2.gz ILKGNKYRHYBHLP-UHFFFAOYSA-N -1 0 454.526 5.918 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579148 555517923 /nfs/dbraw/zinc/51/79/23/555517923.db2.gz YDPLTJGCZHSOQH-VUNQTZOZSA-N -1 0 495.000 6.090 50 0 JKAARM COc1cccc(NC(=O)[C@H](Sc2ccc(NC(=O)/C=C(\C)C(=O)[O-])cc2)c2ccccc2)c1 ZINC000013579131 555517934 /nfs/dbraw/zinc/51/79/34/555517934.db2.gz ORNIUCYHNPIMGF-VUNQTZOZSA-N -1 0 476.554 5.137 50 0 JKAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccccc2C)c2ccccc2)cc1)C(=O)[O-] ZINC000013579128 555517949 /nfs/dbraw/zinc/51/79/49/555517949.db2.gz CEABANSJLOMMTL-YAZRVPCTSA-N -1 0 460.555 5.437 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579236 555518220 /nfs/dbraw/zinc/51/82/20/555518220.db2.gz ONYDBPOGSIBDOP-VJVQGEDVSA-N -1 0 480.973 5.782 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000013579319 555518241 /nfs/dbraw/zinc/51/82/41/555518241.db2.gz ILBSJMXROGDXKN-UCQJPZFISA-N -1 0 453.347 5.082 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1)C(=O)[O-] ZINC000013579262 555518288 /nfs/dbraw/zinc/51/82/88/555518288.db2.gz LBRXJGOUVQGRBF-FVLIZWQSSA-N -1 0 474.582 5.745 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1)C(=O)[O-] ZINC000013579363 555518552 /nfs/dbraw/zinc/51/85/52/555518552.db2.gz ZOXFDZCMXWGAHW-PASUOXSHSA-N -1 0 472.566 5.079 50 0 JKAARM Cc1ccc(-c2cc(-c3ccc(F)cc3)cc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)n2)cc1 ZINC000019862932 555520767 /nfs/dbraw/zinc/52/07/67/555520767.db2.gz UBNNDYYEJJQFOA-UHFFFAOYSA-N -1 0 482.511 5.730 50 0 JKAARM O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1 ZINC000013646250 555550515 /nfs/dbraw/zinc/55/05/15/555550515.db2.gz WYEYBWIORLZCAK-QXTIUPHPSA-N -1 0 464.496 5.199 50 0 JKAARM COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)c(Nc3cc(C)c(Cl)cc3OC)nc2c1 ZINC000009858032 555559401 /nfs/dbraw/zinc/55/94/01/555559401.db2.gz RCYCMLREVDICEE-UHFFFAOYSA-N -1 0 484.965 5.153 50 0 JKAARM COc1ccc(Cl)cc1Nc1nc2cc(C)ccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009858085 555559724 /nfs/dbraw/zinc/55/97/24/555559724.db2.gz IQYJDEHUZWVCHN-UHFFFAOYSA-N -1 0 468.966 5.453 50 0 JKAARM O=C(c1cccs1)N1N=C(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C[C@@H]1c1cccs1 ZINC000009969657 555566435 /nfs/dbraw/zinc/56/64/35/555566435.db2.gz NVPDRGPXWUMCIH-OAQYLSRUSA-N -1 0 493.635 5.602 50 0 JKAARM Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)n1 ZINC000013727444 555601280 /nfs/dbraw/zinc/60/12/80/555601280.db2.gz GGLYZNXRLZIYPM-LJQANCHMSA-N -1 0 473.920 5.421 50 0 JKAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)ccc1O ZINC000013739505 555607022 /nfs/dbraw/zinc/60/70/22/555607022.db2.gz RSFLVXHYRLNIHJ-FQEVSTJZSA-N -1 0 477.460 5.745 50 0 JKAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)cc1 ZINC000013739502 555607071 /nfs/dbraw/zinc/60/70/71/555607071.db2.gz HKFTXDIIGVZBSW-HXUWFJFHSA-N -1 0 461.461 6.039 50 0 JKAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000010060030 555612018 /nfs/dbraw/zinc/61/20/18/555612018.db2.gz UDPOLYHDULIOKO-UHFFFAOYSA-N -1 0 492.528 5.680 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000013896576 555643744 /nfs/dbraw/zinc/64/37/44/555643744.db2.gz WIDHLIKSWDJPQY-UHFFFAOYSA-N -1 0 491.613 5.111 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000020168166 555678597 /nfs/dbraw/zinc/67/85/97/555678597.db2.gz CUYHJPPIIDJYEG-QZTJIDSGSA-N -1 0 455.576 5.495 50 0 JKAARM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014089747 555684713 /nfs/dbraw/zinc/68/47/13/555684713.db2.gz NBGQZFQREPIKMG-ZOSLIHTFSA-N -1 0 456.711 7.090 50 0 in-vitro JKAARM COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000020220603 555717095 /nfs/dbraw/zinc/71/70/95/555717095.db2.gz GPKYAPZZLVGIPQ-RHDBISNHSA-N -1 0 463.555 5.430 50 0 JKAARM COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000020220612 555717132 /nfs/dbraw/zinc/71/71/32/555717132.db2.gz ORRQFUITVLBLMF-WOJBJXKFSA-N -1 0 469.603 6.079 50 0 JKAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011265455 555770098 /nfs/dbraw/zinc/77/00/98/555770098.db2.gz RLABJOMFLFAHGA-UHFFFAOYSA-N -1 0 465.600 5.050 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020329089 555775272 /nfs/dbraw/zinc/77/52/72/555775272.db2.gz HYVYERBCMMYRGX-UHFFFAOYSA-N -1 0 499.036 5.122 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020329079 555775301 /nfs/dbraw/zinc/77/53/01/555775301.db2.gz BVFBLBKKGXFYJJ-UHFFFAOYSA-N -1 0 485.009 5.079 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)Nc4ccc(C(C)C)cc4)c3=O)c2c1 ZINC000020330613 555775915 /nfs/dbraw/zinc/77/59/15/555775915.db2.gz ZMPGMLRPKGQMQZ-UHFFFAOYSA-N -1 0 450.564 5.091 50 0 JKAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4cccc(C(F)(F)F)c4)c3=O)c2c1 ZINC000020331282 555776292 /nfs/dbraw/zinc/77/62/92/555776292.db2.gz YNDMBMSBKUSAIT-UHFFFAOYSA-N -1 0 490.507 5.377 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc4ccccc43)ccc2Cl)cc1 ZINC000014359729 555798405 /nfs/dbraw/zinc/79/84/05/555798405.db2.gz OIIWMQYULAVFNB-UHFFFAOYSA-N -1 0 480.973 5.484 50 0 JKAARM CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000020549790 555807009 /nfs/dbraw/zinc/80/70/09/555807009.db2.gz OXQHVLUDSDMXSL-FGZHOGPDSA-N -1 0 497.657 6.858 50 0 JKAARM COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000020568980 555822595 /nfs/dbraw/zinc/82/25/95/555822595.db2.gz DVQJEXMXWGYFBN-OALUTQOASA-N -1 0 469.603 5.885 50 0 JKAARM COC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000020569163 555822956 /nfs/dbraw/zinc/82/29/56/555822956.db2.gz AZALBOXABMGNRY-PMACEKPBSA-N -1 0 463.555 5.741 50 0 JKAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 ZINC000011852458 555835552 /nfs/dbraw/zinc/83/55/52/555835552.db2.gz UHCYXOGKUUBRBR-MHZLTWQESA-N -1 0 492.579 5.780 50 0 JKAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc12 ZINC000011865561 555840226 /nfs/dbraw/zinc/84/02/26/555840226.db2.gz RQYBKNJUPWBVOZ-UHFFFAOYSA-N -1 0 455.551 5.147 50 0 biogenic JKAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)F)c12 ZINC000020603698 555844307 /nfs/dbraw/zinc/84/43/07/555844307.db2.gz JTDNULNRVUNTQR-UHFFFAOYSA-N -1 0 458.262 5.794 50 0 JKAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccccc1C(F)(F)F ZINC000020604379 555845186 /nfs/dbraw/zinc/84/51/86/555845186.db2.gz UFHOVEBRSZPDJB-UHFFFAOYSA-N -1 0 476.524 5.344 50 0 JKAARM COc1cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)ccc1OCC(=O)[O-] ZINC000015016161 555857155 /nfs/dbraw/zinc/85/71/55/555857155.db2.gz COFHTUJBVPYQHL-UHFFFAOYSA-N -1 0 454.526 5.918 50 0 JKAARM O=C([O-])COc1ccc(Br)cc1C(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000015016543 555857826 /nfs/dbraw/zinc/85/78/26/555857826.db2.gz SXVZYTQCMNPMCH-UHFFFAOYSA-N -1 0 475.342 6.055 50 0 JKAARM [O-]c1c([C@@H](c2cccs2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031036 555864594 /nfs/dbraw/zinc/86/45/94/555864594.db2.gz DEDJATAZLLMICP-HSZRJFAPSA-N -1 0 487.654 5.055 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)Nc3cccc(C)c3)no2)cc1 ZINC000011915152 555866267 /nfs/dbraw/zinc/86/62/67/555866267.db2.gz YBWFMJFNKJTJRX-UHFFFAOYSA-N -1 0 481.508 6.300 50 0 JKAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 ZINC000011915647 555866858 /nfs/dbraw/zinc/86/68/58/555866858.db2.gz GJORUVMSVKRMSA-UHFFFAOYSA-N -1 0 485.471 6.049 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915757 555866863 /nfs/dbraw/zinc/86/68/63/555866863.db2.gz XFUJCOFNESVOFC-UHFFFAOYSA-N -1 0 460.848 6.364 50 0 JKAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000022077344 555872012 /nfs/dbraw/zinc/87/20/12/555872012.db2.gz IHUNXSAATOMEFE-OUKQBFOZSA-N -1 0 482.330 5.299 50 0 JKAARM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000015082142 555873256 /nfs/dbraw/zinc/87/32/56/555873256.db2.gz XIZHJSNDKYKGCX-AWEZNQCLSA-N -1 0 458.333 5.359 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1Br ZINC000015082145 555873320 /nfs/dbraw/zinc/87/33/20/555873320.db2.gz XPSANWSPTVBACV-ZDUSSCGKSA-N -1 0 458.333 5.359 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000015107206 555877741 /nfs/dbraw/zinc/87/77/41/555877741.db2.gz KGISUXOLPRWFRI-OAQYLSRUSA-N -1 0 455.535 6.166 50 0 JKAARM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2cccc(Cl)c21 ZINC000015218764 555884820 /nfs/dbraw/zinc/88/48/20/555884820.db2.gz HKDPWEUTRGDCGU-UHFFFAOYSA-N -1 0 453.791 6.332 50 0 JKAARM Cc1ccc(-c2nc(SCC(=O)NCCC3=CCCCC3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112510 555909351 /nfs/dbraw/zinc/90/93/51/555909351.db2.gz OPPGEEDGVYBYEX-UHFFFAOYSA-N -1 0 495.670 5.317 50 0 JKAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1F ZINC000015669805 555924626 /nfs/dbraw/zinc/92/46/26/555924626.db2.gz LEQFFHYHMBSQBV-INIZCTEOSA-N -1 0 496.494 6.342 50 0 JKAARM Cc1ccc(Nc2cc(Nc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nc(C)n2)cc1 ZINC000015671359 555928539 /nfs/dbraw/zinc/92/85/39/555928539.db2.gz ZBWWRAZLBIFOOL-UHFFFAOYSA-N -1 0 463.538 5.521 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)Nc1ccccc1F ZINC000015671513 555928611 /nfs/dbraw/zinc/92/86/11/555928611.db2.gz JVGVVMVIUORANQ-UHFFFAOYSA-N -1 0 456.930 5.287 50 0 JKAARM COc1ccc(Cl)cc1NC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)nc1C ZINC000015671499 555928772 /nfs/dbraw/zinc/92/87/72/555928772.db2.gz JVJQEBXWZRPDCS-UHFFFAOYSA-N -1 0 468.966 5.156 50 0 JKAARM [O-]c1c(Br)cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1Br ZINC000012311375 555949678 /nfs/dbraw/zinc/94/96/78/555949678.db2.gz OQTIXXLKBDCMKB-LJQANCHMSA-N -1 0 471.152 5.906 50 0 JKAARM [O-]c1c([C@@H](c2ccc(Br)cc2)N2CCCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852065 555958834 /nfs/dbraw/zinc/95/88/34/555958834.db2.gz GXFVITVIZHGHNZ-MRXNPFEDSA-N -1 0 459.369 5.094 50 0 JKAARM Cc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1 ZINC000022852344 555959613 /nfs/dbraw/zinc/95/96/13/555959613.db2.gz LKNWJIXEYUDWBS-JOCHJYFZSA-N -1 0 489.576 5.116 50 0 JKAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854758 555961513 /nfs/dbraw/zinc/96/15/13/555961513.db2.gz JHNCZOQSFYWDKI-FQEVSTJZSA-N -1 0 488.444 5.277 50 0 JKAARM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000012380820 555969431 /nfs/dbraw/zinc/96/94/31/555969431.db2.gz JJCWPJGSCGYDJY-KRWDZBQOSA-N -1 0 479.583 5.017 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1C ZINC000012529096 555998107 /nfs/dbraw/zinc/99/81/07/555998107.db2.gz MCAPXTZQPLUZTH-UHFFFAOYSA-N -1 0 482.602 5.119 50 0 JKAARM CC(C)(C)Oc1ccc(C[C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000015809801 556009362 /nfs/dbraw/zinc/00/93/62/556009362.db2.gz PAFSELQEYJTCCG-HXUWFJFHSA-N -1 0 473.569 5.788 50 0 JKAARM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1cc(-c2cccs2)on1 ZINC000015833061 556018333 /nfs/dbraw/zinc/01/83/33/556018333.db2.gz PBKPBIUDGNRIBP-UHFFFAOYSA-N -1 0 493.338 6.395 50 0 JKAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000015837163 556020953 /nfs/dbraw/zinc/02/09/53/556020953.db2.gz KKHLAZQYAAJHAH-UHFFFAOYSA-N -1 0 498.391 5.228 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000012546654 556022862 /nfs/dbraw/zinc/02/28/62/556022862.db2.gz IKOKJUAXXWOGRL-UHFFFAOYSA-N -1 0 488.565 5.849 50 0 JKAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023157021 556025544 /nfs/dbraw/zinc/02/55/44/556025544.db2.gz QZBCRTCEKDULDB-NRFANRHFSA-N -1 0 497.462 5.611 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1C ZINC000015858786 556025963 /nfs/dbraw/zinc/02/59/63/556025963.db2.gz ZXIBIOUEIGCQSI-UHFFFAOYSA-N -1 0 470.957 5.682 50 0 JKAARM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c1 ZINC000015858772 556025982 /nfs/dbraw/zinc/02/59/82/556025982.db2.gz HVWCONDUZMKKJQ-UHFFFAOYSA-N -1 0 460.559 5.092 50 0 JKAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)Nc1cccc(C)c1 ZINC000015858757 556025997 /nfs/dbraw/zinc/02/59/97/556025997.db2.gz SCRZOELQWRDPBS-UHFFFAOYSA-N -1 0 452.967 5.456 50 0 JKAARM CC(=O)c1cccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2C)c1 ZINC000015858754 556026017 /nfs/dbraw/zinc/02/60/17/556026017.db2.gz ZCZUCOBQSWPFDN-UHFFFAOYSA-N -1 0 480.977 5.350 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000015858791 556026298 /nfs/dbraw/zinc/02/62/98/556026298.db2.gz BDDNZOGNCGAAAT-UHFFFAOYSA-N -1 0 466.994 5.851 50 0 JKAARM O=C([O-])Cc1sc(-c2cc3cc(Cl)ccc3oc2=O)nc1-c1ccc(-c2ccccc2)cc1 ZINC000023234565 556032948 /nfs/dbraw/zinc/03/29/48/556032948.db2.gz RMOMOYRQSXUZLQ-UHFFFAOYSA-N -1 0 473.937 6.531 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1 ZINC000015861934 556034566 /nfs/dbraw/zinc/03/45/66/556034566.db2.gz OBBWKJRQCHFQLI-UHFFFAOYSA-N -1 0 457.964 5.311 50 0 JKAARM CCOc1ccccc1C(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000015862042 556034784 /nfs/dbraw/zinc/03/47/84/556034784.db2.gz TURSVRVHZASUKZ-UHFFFAOYSA-N -1 0 481.599 5.365 50 0 JKAARM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000015870763 556050852 /nfs/dbraw/zinc/05/08/52/556050852.db2.gz FYMXYSYSXQYQQF-UHFFFAOYSA-N -1 0 484.021 5.694 50 0 JKAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3Cl)CCC[C@H]2[C@@H]1c1ccccc1Cl ZINC000012564353 556060148 /nfs/dbraw/zinc/06/01/48/556060148.db2.gz ALXMPPFYNAVIHA-PABCSEEXSA-N -1 0 457.357 5.981 50 0 JKAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000015911100 556064856 /nfs/dbraw/zinc/06/48/56/556064856.db2.gz XPHXQLXTEUJLFC-UHFFFAOYSA-N -1 0 486.475 5.396 50 0 JKAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000015911120 556064860 /nfs/dbraw/zinc/06/48/60/556064860.db2.gz VCMJSVZAZRVRFW-UHFFFAOYSA-N -1 0 474.464 5.202 50 0 JKAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000015911202 556065110 /nfs/dbraw/zinc/06/51/10/556065110.db2.gz QGAFVHMMKRQENJ-UHFFFAOYSA-N -1 0 458.465 5.501 50 0 JKAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000015911128 556065150 /nfs/dbraw/zinc/06/51/50/556065150.db2.gz LJUVCPUBHMKFDQ-UHFFFAOYSA-N -1 0 474.464 5.202 50 0 JKAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)CCCC(=O)[O-])ccc1N1CCCCC1 ZINC000015919245 556066644 /nfs/dbraw/zinc/06/66/44/556066644.db2.gz GLRRYTAJFJHJQS-UHFFFAOYSA-N -1 0 457.958 5.084 50 0 JKAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)ccc2Cl)cc1 ZINC000023505619 556075998 /nfs/dbraw/zinc/07/59/98/556075998.db2.gz SGJFBVJTAIKXFI-CQSZACIVSA-N -1 0 494.947 5.261 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)Nc3ccccc3C)nc2c1 ZINC000023542287 556077506 /nfs/dbraw/zinc/07/75/06/556077506.db2.gz VRSWWBVOPRPAKM-MRXNPFEDSA-N -1 0 497.598 5.065 50 0 JKAARM O=C([O-])c1cc(Br)cc(Br)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000023549852 556077760 /nfs/dbraw/zinc/07/77/60/556077760.db2.gz KREHFIDVXHPPLU-UHFFFAOYSA-N -1 0 475.136 5.829 50 0 JKAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000015944908 556080844 /nfs/dbraw/zinc/08/08/44/556080844.db2.gz VQSIUYIVEOUXIN-HAHDFKILSA-N -1 0 476.960 5.745 50 0 JKAARM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000012584598 556081949 /nfs/dbraw/zinc/08/19/49/556081949.db2.gz KAKUNTKCZAVRRW-UHFFFAOYSA-N -1 0 495.988 5.973 50 0 JKAARM CC(C)CCN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3[O-])cnc2NC1=O ZINC000012588863 556085332 /nfs/dbraw/zinc/08/53/32/556085332.db2.gz FRQPHTHGJLQHRP-UHFFFAOYSA-N -1 0 498.008 5.148 50 0 JKAARM CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000015955749 556088092 /nfs/dbraw/zinc/08/80/92/556088092.db2.gz IDQAPIAOEFXQBG-BSEYFRJRSA-N -1 0 475.541 5.289 50 0 JKAARM CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000015956392 556088434 /nfs/dbraw/zinc/08/84/34/556088434.db2.gz YVIZJMFPEQMUCW-HAWMADMCSA-N -1 0 475.541 5.371 50 0 JKAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000015979340 556098755 /nfs/dbraw/zinc/09/87/55/556098755.db2.gz HZVHVMPVUJJHMM-UHFFFAOYSA-N -1 0 484.883 5.421 50 0 JKAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000012656284 556099117 /nfs/dbraw/zinc/09/91/17/556099117.db2.gz VHGHQPVYSFVISC-NRFANRHFSA-N -1 0 453.516 5.038 50 0 biogenic JKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000012656812 556099362 /nfs/dbraw/zinc/09/93/62/556099362.db2.gz DIKZVSNKAWTORI-IBGZPJMESA-N -1 0 458.333 5.480 50 0 biogenic JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000012659235 556100032 /nfs/dbraw/zinc/10/00/32/556100032.db2.gz JHROCXRVEIGATO-GISNTUFTSA-N -1 0 451.648 5.035 50 0 biogenic JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC ZINC000012659239 556100044 /nfs/dbraw/zinc/10/00/44/556100044.db2.gz JHROCXRVEIGATO-DFZWZFLDSA-N -1 0 451.648 5.035 50 0 biogenic JKAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000012659302 556100149 /nfs/dbraw/zinc/10/01/49/556100149.db2.gz BCWZCWMWSGDIOB-JBDZPSJYSA-N -1 0 499.692 5.794 50 0 biogenic JKAARM COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015981615 556100203 /nfs/dbraw/zinc/10/02/03/556100203.db2.gz YWZSDTDSDMRHSN-UHFFFAOYSA-N -1 0 483.977 5.202 50 0 JKAARM Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)c1 ZINC000012661515 556100991 /nfs/dbraw/zinc/10/09/91/556100991.db2.gz MRRXYEYSIFOGFP-UIFZEWBQSA-N -1 0 489.656 6.010 50 0 biogenic JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000012736805 556105883 /nfs/dbraw/zinc/10/58/83/556105883.db2.gz LKIACCXJFKTLQN-UHFFFAOYSA-N -1 0 485.974 5.006 50 0 JKAARM CC[C@@H](C)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000016035786 556119684 /nfs/dbraw/zinc/11/96/84/556119684.db2.gz NJDLUIAOOMCSMQ-SJORKVTESA-N -1 0 486.615 5.246 50 0 JKAARM CCCCOc1cccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000024193187 556126397 /nfs/dbraw/zinc/12/63/97/556126397.db2.gz VKBBGJMHCVSPOI-DEOSSOPVSA-N -1 0 477.582 5.505 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)cc1C ZINC000016955778 556186827 /nfs/dbraw/zinc/18/68/27/556186827.db2.gz MUHYSDZAXGINBI-UHFFFAOYSA-N -1 0 472.492 5.810 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)c(C)c2)c1 ZINC000016956120 556187132 /nfs/dbraw/zinc/18/71/32/556187132.db2.gz YRYDNVKCYUIDFT-UHFFFAOYSA-N -1 0 497.418 5.862 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000016956248 556187268 /nfs/dbraw/zinc/18/72/68/556187268.db2.gz QMOUCDQRNZRYQF-UHFFFAOYSA-N -1 0 460.437 5.073 50 0 JKAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000016956580 556187311 /nfs/dbraw/zinc/18/73/11/556187311.db2.gz VRPMEPBYFWRQFG-UHFFFAOYSA-N -1 0 498.992 5.462 50 0 JKAARM C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000025185259 556204428 /nfs/dbraw/zinc/20/44/28/556204428.db2.gz SPJVHAQEQMRTBO-DYYJPIFBSA-N -1 0 472.372 5.510 50 0 JKAARM C[C@H](CNC(=O)CC(C)(C)CC1=Nc2ccccc2S(=O)(=O)[N-]1)CSc1ccc(Cl)cc1 ZINC000017113778 556218558 /nfs/dbraw/zinc/21/85/58/556218558.db2.gz QQNYMODFTAANJN-MRXNPFEDSA-N -1 0 494.082 5.013 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccccc1C(F)(F)F ZINC000017177659 556232406 /nfs/dbraw/zinc/23/24/06/556232406.db2.gz AAPKDFBAVXFZRM-UHFFFAOYSA-N -1 0 476.524 5.344 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1F)c1ccccc1 ZINC000017206049 556240658 /nfs/dbraw/zinc/24/06/58/556240658.db2.gz FLCBFSCASPXXHO-UHFFFAOYSA-N -1 0 473.327 5.076 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 ZINC000017207149 556240766 /nfs/dbraw/zinc/24/07/66/556240766.db2.gz SGIZHOMDGIUDKU-UHFFFAOYSA-N -1 0 479.776 6.134 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCC1=CCCCC1)c1cc(Cl)ccc1Cl ZINC000017207462 556241118 /nfs/dbraw/zinc/24/11/18/556241118.db2.gz YNFLOZFGJMCZFX-UHFFFAOYSA-N -1 0 477.417 6.040 50 0 JKAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000017208667 556241528 /nfs/dbraw/zinc/24/15/28/556241528.db2.gz UXBXCOQTZIFCHN-UHFFFAOYSA-N -1 0 489.782 5.590 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)c1 ZINC000017209381 556241746 /nfs/dbraw/zinc/24/17/46/556241746.db2.gz WFQVZSLJXDKBBO-UHFFFAOYSA-N -1 0 473.385 6.098 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1C ZINC000017246441 556246562 /nfs/dbraw/zinc/24/65/62/556246562.db2.gz NMOPXVXCIZNHFO-UHFFFAOYSA-N -1 0 452.967 5.753 50 0 JKAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Br)c2)c1 ZINC000017246602 556246912 /nfs/dbraw/zinc/24/69/12/556246912.db2.gz DESOSPPKRCXQJT-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Br)c2)c1 ZINC000017249247 556247512 /nfs/dbraw/zinc/24/75/12/556247512.db2.gz WWDADOIDYCNEBN-UHFFFAOYSA-N -1 0 469.364 5.245 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(Cl)cc(Cl)c2)c1 ZINC000017248569 556247580 /nfs/dbraw/zinc/24/75/80/556247580.db2.gz IWGHHTYAEBLIKM-UHFFFAOYSA-N -1 0 459.358 5.789 50 0 JKAARM O=C1C[C@@H](c2ccco2)Cc2nc([N-]c3nc4ccc(Cl)cc4c(-c4ccccc4)n3)ncc21 ZINC000017251035 556247938 /nfs/dbraw/zinc/24/79/38/556247938.db2.gz QNAGJSOPTVLJRS-INIZCTEOSA-N -1 0 467.916 5.990 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Br)cc1C ZINC000017252853 556248256 /nfs/dbraw/zinc/24/82/56/556248256.db2.gz ZWAVMHCAHBESJP-UHFFFAOYSA-N -1 0 483.391 5.554 50 0 JKAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1 ZINC000017286374 556250891 /nfs/dbraw/zinc/25/08/91/556250891.db2.gz BVOWATVCRUEPIT-UHFFFAOYSA-N -1 0 471.888 5.405 50 0 JKAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013059052 556254863 /nfs/dbraw/zinc/25/48/63/556254863.db2.gz NKBWBGDODKLTCL-UHFFFAOYSA-N -1 0 480.430 5.197 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)c(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000017315324 556257036 /nfs/dbraw/zinc/25/70/36/556257036.db2.gz LCCHOLOTAGXGJT-UHFFFAOYSA-N -1 0 498.655 5.251 50 0 JKAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4cc(C)cc(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000017315321 556257051 /nfs/dbraw/zinc/25/70/51/556257051.db2.gz DJOCDTAJEVQXIP-UHFFFAOYSA-N -1 0 498.655 5.251 50 0 JKAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000017315615 556257674 /nfs/dbraw/zinc/25/76/74/556257674.db2.gz WSWGTFXHGNAAMM-UHFFFAOYSA-N -1 0 466.607 5.067 50 0 JKAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)nn1 ZINC000017315643 556257713 /nfs/dbraw/zinc/25/77/13/556257713.db2.gz KHBKFGRULLXFQK-UHFFFAOYSA-N -1 0 457.861 5.015 50 0 JKAARM O=C([O-])CC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000027527725 556289261 /nfs/dbraw/zinc/28/92/61/556289261.db2.gz PELWDRZCEDMWHB-QHCPKHFHSA-N -1 0 452.432 5.634 50 0 JKAARM O=C([O-])c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c1 ZINC000013113098 556316473 /nfs/dbraw/zinc/31/64/73/556316473.db2.gz CANLXGQMRMTVSG-UHFFFAOYSA-N -1 0 488.972 5.672 50 0 JKAARM COc1ccc(-c2cc(-c3ccccc3)nc3sc4c([nH]c(=O)c(Br)c4[O-])c32)cc1 ZINC000018284535 556318982 /nfs/dbraw/zinc/31/89/82/556318982.db2.gz LKDAKOCNNXYKIH-UHFFFAOYSA-N -1 0 479.355 5.949 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C(C)C)cc3)cc2)c1C ZINC000028232737 556326508 /nfs/dbraw/zinc/32/65/08/556326508.db2.gz MJPNGBJGVNWKSR-UHFFFAOYSA-N -1 0 471.579 5.013 50 0 JKAARM O=C([O-])c1cccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Br)c1 ZINC000028291982 556328887 /nfs/dbraw/zinc/32/88/87/556328887.db2.gz XNRVLHBZIBJWOO-UHFFFAOYSA-N -1 0 478.755 5.135 50 0 JKAARM COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013132061 556358509 /nfs/dbraw/zinc/35/85/09/556358509.db2.gz MHFCTVIXQRXJPF-UHFFFAOYSA-N -1 0 487.311 5.333 50 0 JKAARM Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000031817348 556407450 /nfs/dbraw/zinc/40/74/50/556407450.db2.gz VKDJBJWNGRXOJD-OAQYLSRUSA-N -1 0 474.504 6.097 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000032069795 556413035 /nfs/dbraw/zinc/41/30/35/556413035.db2.gz NMQPUMMZPYRIDF-NRFANRHFSA-N -1 0 469.316 5.106 50 0 JKAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032087848 556414306 /nfs/dbraw/zinc/41/43/06/556414306.db2.gz RTBVJCXWIPNTGM-FQEVSTJZSA-N -1 0 452.769 5.072 50 0 JKAARM CCOc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(Br)s4)ns3)no2)cc1 ZINC000032593505 556447642 /nfs/dbraw/zinc/44/76/42/556447642.db2.gz VCFGVNKUVSEUEE-UHFFFAOYSA-N -1 0 477.365 5.335 50 0 JKAARM O=C([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000032946720 556561655 /nfs/dbraw/zinc/56/16/55/556561655.db2.gz HDYCTRBNLDVBEL-UHFFFAOYSA-N -1 0 487.453 5.122 50 0 JKAARM CCOc1ccc(-n2c3nc(SCc4cc(C)ccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948221 556563042 /nfs/dbraw/zinc/56/30/42/556563042.db2.gz GVSAXCGSQVJHIG-UHFFFAOYSA-N -1 0 455.630 5.813 50 0 JKAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4cc(C)cc(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948631 556564296 /nfs/dbraw/zinc/56/42/96/556564296.db2.gz FVKMQBIQHRHXPH-UHFFFAOYSA-N -1 0 468.629 5.161 50 0 JKAARM CC(C)c1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032948558 556564362 /nfs/dbraw/zinc/56/43/62/556564362.db2.gz HURPFCGJEXRUJW-UHFFFAOYSA-N -1 0 468.629 5.359 50 0 JKAARM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)c3ccc(C)cc3)no2)cc1 ZINC000008586540 562940982 /nfs/dbraw/zinc/94/09/82/562940982.db2.gz GCXYKWHWXZWMAY-UHFFFAOYSA-N -1 0 452.466 5.888 50 0 JKAARM COc1cc(Cl)c(C)cc1NC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCCC1 ZINC000008599218 562945301 /nfs/dbraw/zinc/94/53/01/562945301.db2.gz URGROIMJCRWHIE-UHFFFAOYSA-N -1 0 470.978 5.513 50 0 JKAARM CCCCCC[C@H](Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)C(=O)[O-] ZINC000040393729 563138540 /nfs/dbraw/zinc/13/85/40/563138540.db2.gz FQMPYBCEABTPIK-NRFANRHFSA-N -1 0 470.038 6.925 50 0 in-vitro JKAARM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1sc(C)c(-c2ccc(C(C)C)cc2)c1C(N)=O ZINC000008454372 569591431 /nfs/dbraw/zinc/59/14/31/569591431.db2.gz IIMCIONEANYPFY-KKXYHZGYSA-N -1 0 480.630 5.578 50 0 JKAARM CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008454440 569591507 /nfs/dbraw/zinc/59/15/07/569591507.db2.gz BZJCEZWLZHOVFN-LEWJYISDSA-N -1 0 483.630 6.469 50 0 JKAARM COc1ccc(NC(=O)c2ccccc2OC)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008725690 569600290 /nfs/dbraw/zinc/60/02/90/569600290.db2.gz PCSZNPWJLVNRPU-UHFFFAOYSA-N -1 0 481.357 5.064 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000032962154 569602985 /nfs/dbraw/zinc/60/29/85/569602985.db2.gz LYBSYMOXDATHAW-UHFFFAOYSA-N -1 0 466.603 5.609 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000032962165 569603022 /nfs/dbraw/zinc/60/30/22/569603022.db2.gz RAKSOBNRKAKWOI-UHFFFAOYSA-N -1 0 466.603 5.609 50 0 JKAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000032971198 569603668 /nfs/dbraw/zinc/60/36/68/569603668.db2.gz FEYCNYZKBYKQCM-UHFFFAOYSA-N -1 0 466.603 5.609 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000032971090 569603708 /nfs/dbraw/zinc/60/37/08/569603708.db2.gz VPXZILUJFGYBDL-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 ZINC000059478030 569604862 /nfs/dbraw/zinc/60/48/62/569604862.db2.gz UQWUMXVDXAFAAL-JKSUJKDBSA-N -1 0 461.008 6.072 50 0 JKAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1C ZINC000033007277 569615407 /nfs/dbraw/zinc/61/54/07/569615407.db2.gz MAEWIEPVUDHJMY-UHFFFAOYSA-N -1 0 478.614 5.262 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccc(F)cc5)ccc4n3)CC2)c1C ZINC000033010335 569616669 /nfs/dbraw/zinc/61/66/69/569616669.db2.gz HEXFVPUKRBOCKW-UHFFFAOYSA-N -1 0 498.558 5.268 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5F)ccc4n3)CC2)c1C ZINC000033010338 569616685 /nfs/dbraw/zinc/61/66/85/569616685.db2.gz UHVUAMUAGCCASV-UHFFFAOYSA-N -1 0 498.558 5.268 50 0 JKAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5C)ccc4n3)CC2)c1 ZINC000033010347 569616721 /nfs/dbraw/zinc/61/67/21/569616721.db2.gz YEUJPCXONRRAAC-UHFFFAOYSA-N -1 0 480.568 5.129 50 0 JKAARM C[C@@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Br)cc4)ccc3n2)C1 ZINC000033010294 569616744 /nfs/dbraw/zinc/61/67/44/569616744.db2.gz VKBQLSPHZGTQNX-CQSZACIVSA-N -1 0 468.351 5.184 50 0 JKAARM Cc1cccc(C(=O)Nc2ccc3nc(N4CC[C@H](c5ccccc5C)C4)cc(C(=O)[O-])c3c2)c1 ZINC000033010319 569616759 /nfs/dbraw/zinc/61/67/59/569616759.db2.gz OHYWFLZOZSNIAH-NRFANRHFSA-N -1 0 465.553 5.796 50 0 JKAARM Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558186 569618595 /nfs/dbraw/zinc/61/85/95/569618595.db2.gz JHBOJYKRNZHQHW-OAQYLSRUSA-N -1 0 498.398 5.397 50 0 JKAARM COc1ccc(CC(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000064589167 569620829 /nfs/dbraw/zinc/62/08/29/569620829.db2.gz OSFLECXHRPWURO-UHFFFAOYSA-N -1 0 458.558 5.034 50 0 biogenic JKAARM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(Br)s1 ZINC000033025831 569620834 /nfs/dbraw/zinc/62/08/34/569620834.db2.gz YMGHFZMKQSIYPU-UHFFFAOYSA-N -1 0 451.342 5.599 50 0 JKAARM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000033169103 569621816 /nfs/dbraw/zinc/62/18/16/569621816.db2.gz AUVBXQJOZHLVQX-UHFFFAOYSA-N -1 0 471.337 6.349 50 0 JKAARM Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1 ZINC000033293957 569622430 /nfs/dbraw/zinc/62/24/30/569622430.db2.gz UUALWWJIDOVCPM-RGVLZGJSSA-N -1 0 453.903 5.843 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)c1NC(=O)C1CC1 ZINC000033306622 569622627 /nfs/dbraw/zinc/62/26/27/569622627.db2.gz NRQMXSOJZHPYBC-VQHVLOKHSA-N -1 0 477.995 5.326 50 0 JKAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)c1NC(=O)C1CC1 ZINC000033306634 569622640 /nfs/dbraw/zinc/62/26/40/569622640.db2.gz VBTPPYHRRHRWDL-VQHVLOKHSA-N -1 0 471.604 5.289 50 0 JKAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3c(Cl)cccc3Cl)cc2)c1C ZINC000033332729 569624744 /nfs/dbraw/zinc/62/47/44/569624744.db2.gz VWRFWLSJQXVKQP-KHPPLWFESA-N -1 0 466.346 5.051 50 0 JKAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000064774718 569627021 /nfs/dbraw/zinc/62/70/21/569627021.db2.gz VVUSBUSQCYZAFH-GOSISDBHSA-N -1 0 485.997 5.064 50 0 JKAARM Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1C ZINC000064774730 569627057 /nfs/dbraw/zinc/62/70/57/569627057.db2.gz UWZPRULJAFROMP-SFHVURJKSA-N -1 0 499.596 5.233 50 0 JKAARM CCc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774733 569627079 /nfs/dbraw/zinc/62/70/79/569627079.db2.gz POHBBHROHMEGQW-QGZVFWFLSA-N -1 0 499.596 5.178 50 0 JKAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000064795699 569630025 /nfs/dbraw/zinc/63/00/25/569630025.db2.gz KELDEWCYLZFMGC-AWEZNQCLSA-N -1 0 473.934 5.267 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OCC(C)C ZINC000064795362 569630057 /nfs/dbraw/zinc/63/00/57/569630057.db2.gz KLWPHLWQJYDSGO-QGZVFWFLSA-N -1 0 451.544 5.631 50 0 JKAARM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000064795531 569630062 /nfs/dbraw/zinc/63/00/62/569630062.db2.gz DNUJPJJIGODBBV-OAHLLOKOSA-N -1 0 457.935 5.648 50 0 JKAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c(OC)c1OC ZINC000064795610 569630077 /nfs/dbraw/zinc/63/00/77/569630077.db2.gz HPUWENYLWRAACZ-AWEZNQCLSA-N -1 0 473.934 5.267 50 0 JKAARM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(Cl)cc1 ZINC000064795536 569630081 /nfs/dbraw/zinc/63/00/81/569630081.db2.gz FJFSMETYOPZTSP-MRXNPFEDSA-N -1 0 471.962 6.038 50 0 JKAARM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064795937 569630158 /nfs/dbraw/zinc/63/01/58/569630158.db2.gz CGRKKISQFJJTFS-KRWDZBQOSA-N -1 0 451.544 5.693 50 0 JKAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OCC(C)C ZINC000064796484 569630169 /nfs/dbraw/zinc/63/01/69/569630169.db2.gz DSBGBJCDHQMDRS-QGZVFWFLSA-N -1 0 469.534 5.770 50 0 JKAARM CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(C)cc1 ZINC000064795941 569630183 /nfs/dbraw/zinc/63/01/83/569630183.db2.gz CGRKKISQFJJTFS-QGZVFWFLSA-N -1 0 451.544 5.693 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC4CCCC4)c(OC)c2)CC(=O)N3)cc1 ZINC000064797114 569630256 /nfs/dbraw/zinc/63/02/56/569630256.db2.gz LFXZNLCFIHNDMX-LJQANCHMSA-N -1 0 493.581 5.926 50 0 JKAARM CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC ZINC000064796908 569630258 /nfs/dbraw/zinc/63/02/58/569630258.db2.gz RKLVGPFGGURMHX-INIZCTEOSA-N -1 0 453.516 5.003 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(OC)c2OC(C)C)CC(=O)N3)cc1 ZINC000064797127 569630264 /nfs/dbraw/zinc/63/02/64/569630264.db2.gz KURKCZCYRNCAAL-QGZVFWFLSA-N -1 0 467.543 5.392 50 0 JKAARM CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(OC)cc1 ZINC000064796736 569630268 /nfs/dbraw/zinc/63/02/68/569630268.db2.gz DBNYOFJMVNKRPJ-KRWDZBQOSA-N -1 0 467.543 5.393 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(F)c(Br)c2)CC(=O)N3)cc1 ZINC000064796985 569630278 /nfs/dbraw/zinc/63/02/78/569630278.db2.gz RHMYBDIJVGHIMO-CYBMUJFWSA-N -1 0 476.323 5.498 50 0 JKAARM CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)ccc1OC(C)C ZINC000064797122 569630295 /nfs/dbraw/zinc/63/02/95/569630295.db2.gz QLOYBSRHJHGQQB-GOSISDBHSA-N -1 0 481.570 5.782 50 0 JKAARM COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1cccc(F)c1 ZINC000064797658 569630354 /nfs/dbraw/zinc/63/03/54/569630354.db2.gz GJMFATYUKGSCDI-AWEZNQCLSA-N -1 0 476.323 5.498 50 0 JKAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(OC)c2OC2CCCC2)CC(=O)N3)cc1 ZINC000064797130 569630400 /nfs/dbraw/zinc/63/04/00/569630400.db2.gz KJLCSRNJSIFJEC-LJQANCHMSA-N -1 0 493.581 5.926 50 0 JKAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1Br ZINC000064797670 569630411 /nfs/dbraw/zinc/63/04/11/569630411.db2.gz YBQHSICJXBOBEG-CYBMUJFWSA-N -1 0 476.323 5.498 50 0 JKAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1OC(C)C ZINC000064797690 569630437 /nfs/dbraw/zinc/63/04/37/569630437.db2.gz HLDWYIGZKQPEBU-MRXNPFEDSA-N -1 0 455.507 5.522 50 0 JKAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000064843304 569637896 /nfs/dbraw/zinc/63/78/96/569637896.db2.gz CQBSAVKQAONNEK-UHFFFAOYSA-N -1 0 459.612 5.255 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000064843394 569637916 /nfs/dbraw/zinc/63/79/16/569637916.db2.gz AWWBFTNPKWMERG-UHFFFAOYSA-N -1 0 481.618 5.511 50 0 JKAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000064843391 569637967 /nfs/dbraw/zinc/63/79/67/569637967.db2.gz KWOBYQUVVMQFTH-UHFFFAOYSA-N -1 0 467.591 5.004 50 0 JKAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCCCCC1 ZINC000064843321 569637976 /nfs/dbraw/zinc/63/79/76/569637976.db2.gz NCKKWOSOAUNFIM-UHFFFAOYSA-N -1 0 457.596 5.009 50 0 JKAARM O=C1N(Cc2ccc(F)cc2)CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000034737592 569654550 /nfs/dbraw/zinc/65/45/50/569654550.db2.gz DCKYYIUOGHIQIP-UHFFFAOYSA-N -1 0 473.957 5.112 50 0 JKAARM Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000034737703 569654576 /nfs/dbraw/zinc/65/45/76/569654576.db2.gz BRWLCJKNVXRTHN-UHFFFAOYSA-N -1 0 467.566 5.076 50 0 JKAARM Cc1ccc(C)c(CN2CCCN(c3ccc(C)cc3[N-]S(=O)(=O)c3cccc(Cl)c3)C2=O)c1 ZINC000034737836 569654665 /nfs/dbraw/zinc/65/46/65/569654665.db2.gz GXAHYOALRFEGAP-UHFFFAOYSA-N -1 0 498.048 5.898 50 0 JKAARM Cc1ccc(N2CCCN([C@@H](C)c3ccccc3)C2=O)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000034737772 569654677 /nfs/dbraw/zinc/65/46/77/569654677.db2.gz GNQSWUUMVKRQTH-FQEVSTJZSA-N -1 0 481.593 5.637 50 0 JKAARM Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737848 569654729 /nfs/dbraw/zinc/65/47/29/569654729.db2.gz JDCKPISNXYMBRG-UHFFFAOYSA-N -1 0 498.048 5.898 50 0 JKAARM Cc1ccc(N2CCCN(Cc3cc(C)cc(C)c3)C2=O)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000034737798 569654733 /nfs/dbraw/zinc/65/47/33/569654733.db2.gz SYSBCDNPXXTXPT-UHFFFAOYSA-N -1 0 498.048 5.898 50 0 JKAARM O=C(CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O)NCC1CCCCC1 ZINC000034763425 569658071 /nfs/dbraw/zinc/65/80/71/569658071.db2.gz LHUMOWLPJAJLHH-UHFFFAOYSA-N -1 0 480.996 5.106 50 0 JKAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc1 ZINC000065097958 569661634 /nfs/dbraw/zinc/66/16/34/569661634.db2.gz FNLZUBHBXLWTQU-UHFFFAOYSA-N -1 0 459.936 5.122 50 0 JKAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000065097961 569661676 /nfs/dbraw/zinc/66/16/76/569661676.db2.gz QNSYLFIOZSKYED-UHFFFAOYSA-N -1 0 452.344 5.573 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2)sc1C(=O)N1CCCC1 ZINC000065116861 569666671 /nfs/dbraw/zinc/66/66/71/569666671.db2.gz IUDFMWHZSBDFQK-UHFFFAOYSA-N -1 0 482.052 5.179 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)sc1C(=O)N1CCCC1 ZINC000065116935 569666861 /nfs/dbraw/zinc/66/68/61/569666861.db2.gz HUDVTPAJZISPGL-UHFFFAOYSA-N -1 0 482.052 5.179 50 0 JKAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)cs1 ZINC000065117144 569666971 /nfs/dbraw/zinc/66/69/71/569666971.db2.gz FSLAIFULIZHXJZ-UHFFFAOYSA-N -1 0 491.660 5.006 50 0 JKAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)cs2)cc1 ZINC000065117092 569666994 /nfs/dbraw/zinc/66/69/94/569666994.db2.gz ACFMOLNKBFTRBW-UHFFFAOYSA-N -1 0 475.661 5.169 50 0 JKAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)sc1C(=O)N1CCCCC1 ZINC000065117123 569667050 /nfs/dbraw/zinc/66/70/50/569667050.db2.gz XJAZXXFOVRYHPA-UHFFFAOYSA-N -1 0 475.661 5.224 50 0 JKAARM O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000065566723 569676113 /nfs/dbraw/zinc/67/61/13/569676113.db2.gz VRWJEASNYCHUFW-UHFFFAOYSA-N -1 0 492.582 5.445 50 0 JKAARM COc1ccc(Br)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000035251315 569678793 /nfs/dbraw/zinc/67/87/93/569678793.db2.gz CYMVYLLLPOXKSZ-DHDCSXOGSA-N -1 0 467.728 5.379 50 0 JKAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4cc5ccccc5[nH]4)cc3C)s2)cc1 ZINC000035397048 569687809 /nfs/dbraw/zinc/68/78/09/569687809.db2.gz AMIWGXAYLZAZHY-UHFFFAOYSA-N -1 0 476.583 5.448 50 0 JKAARM CCC(=O)Nc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422753 569692869 /nfs/dbraw/zinc/69/28/69/569692869.db2.gz LJXGPFBINXVUJW-SANMLTNESA-N -1 0 477.992 5.298 50 0 JKAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000069383042 569692895 /nfs/dbraw/zinc/69/28/95/569692895.db2.gz VRRSWGPGIKEKAV-NRFANRHFSA-N -1 0 485.565 5.108 50 0 JKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069738651 569693626 /nfs/dbraw/zinc/69/36/26/569693626.db2.gz NWFYIHCDLUBPLK-UHFFFAOYSA-N -1 0 461.779 5.761 50 0 JKAARM O=C([N-]c1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cc(-c2ccco2)on1 ZINC000070635135 569695404 /nfs/dbraw/zinc/69/54/04/569695404.db2.gz ICNMHBFOBDJEGB-UHFFFAOYSA-N -1 0 452.439 5.350 50 0 JKAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000035510950 569698201 /nfs/dbraw/zinc/69/82/01/569698201.db2.gz YSWOQTRVVPXQDW-UHFFFAOYSA-N -1 0 453.336 5.426 50 0 JKAARM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000072315512 569702151 /nfs/dbraw/zinc/70/21/51/569702151.db2.gz RQOWDDLKGBMJFX-QHCPKHFHSA-N -1 0 480.448 8.273 50 0 JKAARM Cc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cc5c(cc4cc3Cl)OCCO5)C2)c1 ZINC000079068628 569706885 /nfs/dbraw/zinc/70/68/85/569706885.db2.gz AACWVOQYAWHYNY-QFIPXVFZSA-N -1 0 478.932 5.115 50 0 JKAARM Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccc(F)cc4)[n-]n(-c4ccccc4C)c3=O)C2=O)c1 ZINC000035829461 569712852 /nfs/dbraw/zinc/71/28/52/569712852.db2.gz HXGOAHYQKYFLCR-XYGWBWBKSA-N -1 0 496.542 5.018 50 0 JKAARM CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000035836795 569713502 /nfs/dbraw/zinc/71/35/02/569713502.db2.gz CBXQFPKRAPOVNH-MTJSOVHGSA-N -1 0 485.371 5.239 50 0 JKAARM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843190 569714277 /nfs/dbraw/zinc/71/42/77/569714277.db2.gz DIVYKISDVGEKFS-GBXYDCMPSA-N -1 0 492.556 5.197 50 0 JKAARM C[C@](Cc1ccc(Br)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000091252335 569721320 /nfs/dbraw/zinc/72/13/20/569721320.db2.gz PSVZPFIZDGCWIL-RUZDIDTESA-N -1 0 480.358 5.374 50 0 JKAARM CCOc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000095472055 569723551 /nfs/dbraw/zinc/72/35/51/569723551.db2.gz NUUDUVWLSDHBCZ-UHFFFAOYSA-N -1 0 460.357 6.590 50 0 JKAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(F)c(F)c3F)CC(=O)O4)c2=O)cc1 ZINC000095480028 569724574 /nfs/dbraw/zinc/72/45/74/569724574.db2.gz KZCFFJJSTJOZNF-AWEZNQCLSA-N -1 0 468.383 5.033 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095945346 569730880 /nfs/dbraw/zinc/73/08/80/569730880.db2.gz WOXWRNRJUHWLGB-MHZLTWQESA-N -1 0 492.579 5.699 50 0 JKAARM COC(=O)C[C@@H](c1ccc(SC)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114370 569733386 /nfs/dbraw/zinc/73/33/86/569733386.db2.gz CJLAJKFBCNUJNU-FQEVSTJZSA-N -1 0 462.523 5.288 50 0 biogenic JKAARM COC(=O)C[C@H](c1ccc(OCC(C)C)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114766 569733914 /nfs/dbraw/zinc/73/39/14/569733914.db2.gz SVQMNDKDWKIRAF-HSZRJFAPSA-N -1 0 488.536 5.601 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccccc1OC(C)C)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115842 569734848 /nfs/dbraw/zinc/73/48/48/569734848.db2.gz UVZCHSQSRRTUPA-NRFANRHFSA-N -1 0 474.509 5.353 50 0 biogenic JKAARM O=C1C[C@H](c2ccc(Br)cc2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115826 569734909 /nfs/dbraw/zinc/73/49/09/569734909.db2.gz ZALSFTWVNAWHCI-MRXNPFEDSA-N -1 0 479.282 5.075 50 0 biogenic JKAARM COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116035 569735112 /nfs/dbraw/zinc/73/51/12/569735112.db2.gz RBDXOBILZBRSAO-FQEVSTJZSA-N -1 0 458.510 5.690 50 0 biogenic JKAARM COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116333 569735247 /nfs/dbraw/zinc/73/52/47/569735247.db2.gz NPFRSGNCODURBB-IBGZPJMESA-N -1 0 482.435 5.168 50 0 biogenic JKAARM C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1nc2cc(C(=O)[O-])ccc2n1Cc1ccco1 ZINC000096289631 569740070 /nfs/dbraw/zinc/74/00/70/569740070.db2.gz YZOAOZYRUFPNEZ-ZDUSSCGKSA-N -1 0 454.939 5.077 50 0 JKAARM CCCCn1c2cc(Br)c(OC)cc2c(C(=O)[O-])c1COc1ccc2ccccc2c1 ZINC000096558169 569740935 /nfs/dbraw/zinc/74/09/35/569740935.db2.gz VQLDPIGXQWGOHQ-UHFFFAOYSA-N -1 0 482.374 6.643 50 0 JKAARM COc1cc([C@H]2CC(c3c([O-])ccc4c(C)cc(=O)oc43)=Nc3ccccc3S2)ccc1O ZINC000096581907 569741793 /nfs/dbraw/zinc/74/17/93/569741793.db2.gz ZAWDNBANNVHJKB-HSZRJFAPSA-N -1 0 459.523 5.879 50 0 JKAARM COc1cc([C@@H]2CC(c3c([O-])ccc4c(C)cc(=O)oc43)=Nc3ccccc3S2)ccc1O ZINC000096581905 569741838 /nfs/dbraw/zinc/74/18/38/569741838.db2.gz ZAWDNBANNVHJKB-QHCPKHFHSA-N -1 0 459.523 5.879 50 0 JKAARM O=C(c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000096602748 569742692 /nfs/dbraw/zinc/74/26/92/569742692.db2.gz KDOGUICOFQJIND-UHFFFAOYSA-N -1 0 482.377 7.056 50 0 JKAARM CCOc1cccc2cc(C(=O)Nc3ccc(OC)cc3OC)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000097898291 569745868 /nfs/dbraw/zinc/74/58/68/569745868.db2.gz OJRZRUCUIUMBRT-SGEDCAFJSA-N -1 0 488.496 5.032 50 0 JKAARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000100426027 569760206 /nfs/dbraw/zinc/76/02/06/569760206.db2.gz AQURXAZLEXEGHY-LGGPFLRQSA-N -1 0 481.552 5.805 50 0 JKAARM CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000100425556 569760229 /nfs/dbraw/zinc/76/02/29/569760229.db2.gz XZYMGZZGAZFIOJ-MUUNZHRXSA-N -1 0 490.600 6.523 50 0 JKAARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000100426001 569760235 /nfs/dbraw/zinc/76/02/35/569760235.db2.gz WOKLPIVXNLDIIP-IPBJYNAHSA-N -1 0 494.591 6.718 50 0 JKAARM O=C(C(=C([O-])c1cccs1)[C@@H](Nc1ccc2ccccc2c1)c1ccccc1)C(F)(F)F ZINC000100544146 569764209 /nfs/dbraw/zinc/76/42/09/569764209.db2.gz AANPADBWYJHSEW-VXKWHMMOSA-N -1 0 453.485 6.685 50 0 JKAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000100658296 569766239 /nfs/dbraw/zinc/76/62/39/569766239.db2.gz RAGGOOXUFPYERP-UHFFFAOYSA-N -1 0 457.368 5.611 50 0 JKAARM CCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000100658511 569766241 /nfs/dbraw/zinc/76/62/41/569766241.db2.gz ZPYOFCDUTWYWDD-UHFFFAOYSA-N -1 0 462.358 5.676 50 0 JKAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000100658414 569766272 /nfs/dbraw/zinc/76/62/72/569766272.db2.gz KGFWBKHBFDRZBI-UHFFFAOYSA-N -1 0 469.566 5.955 50 0 JKAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000100721611 569767826 /nfs/dbraw/zinc/76/78/26/569767826.db2.gz DARHRRKLYKFAEK-LEAFIULHSA-N -1 0 477.516 5.375 50 0 JKAARM CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccc(Cl)cc1)C(=O)N2C ZINC000036354794 569771622 /nfs/dbraw/zinc/77/16/22/569771622.db2.gz RNWWSHFTMCQGNG-VWLOTQADSA-N -1 0 480.973 5.495 50 0 JKAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@]21C(=O)Nc2c1cccc2Cl ZINC000036360082 569772608 /nfs/dbraw/zinc/77/26/08/569772608.db2.gz AOTQKLHXECJONF-NRFANRHFSA-N -1 0 459.310 5.001 50 0 JKAARM O=C([O-])C(Cc1ccccc1)(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000036435670 569775704 /nfs/dbraw/zinc/77/57/04/569775704.db2.gz DZLNYVYKEOAQCR-UHFFFAOYSA-N -1 0 477.560 5.834 50 0 JKAARM CCc1cccc(C)c1NC(=O)[C@@H](Sc1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1)c1ccccc1 ZINC000037019051 569781154 /nfs/dbraw/zinc/78/11/54/569781154.db2.gz RMPVZHCILIJPKV-ULOIVOIOSA-N -1 0 488.609 5.999 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-] ZINC000037019019 569781159 /nfs/dbraw/zinc/78/11/59/569781159.db2.gz SHMJCXZVYZJGRN-RDQDRAATSA-N -1 0 453.347 5.082 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1)C(=O)[O-] ZINC000037018955 569781176 /nfs/dbraw/zinc/78/11/76/569781176.db2.gz LBRXJGOUVQGRBF-MGIPWVDBSA-N -1 0 474.582 5.745 50 0 JKAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1)C(=O)[O-] ZINC000037019043 569781205 /nfs/dbraw/zinc/78/12/05/569781205.db2.gz ZOXFDZCMXWGAHW-ISXHGUMTSA-N -1 0 472.566 5.079 50 0 JKAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=Nc3ccccc3S2)s1 ZINC000101494737 569799791 /nfs/dbraw/zinc/79/97/91/569799791.db2.gz GZRYPMJMDOUUAX-FQEVSTJZSA-N -1 0 496.013 5.613 50 0 JKAARM Cc1ccsc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)=Nc2ccccc2S1 ZINC000101494819 569800064 /nfs/dbraw/zinc/80/00/64/569800064.db2.gz TYMHARCVTGXEMT-IBGZPJMESA-N -1 0 496.013 5.613 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495082 569800185 /nfs/dbraw/zinc/80/01/85/569800185.db2.gz PTUINWDCJLRVGI-NRFANRHFSA-N -1 0 475.957 5.243 50 0 JKAARM COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=Nc2ccccc2S1 ZINC000101495516 569800367 /nfs/dbraw/zinc/80/03/67/569800367.db2.gz BHQSEACHWCSXQY-XMMPIXPASA-N -1 0 499.592 5.215 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)c(OC)c3)C2)c([O-])[nH]c1=S ZINC000101495296 569800374 /nfs/dbraw/zinc/80/03/74/569800374.db2.gz ASRHSALUORRANN-FQEVSTJZSA-N -1 0 483.615 5.484 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101495470 569800466 /nfs/dbraw/zinc/80/04/66/569800466.db2.gz JMGPOMKVNAUASZ-HXUWFJFHSA-N -1 0 481.599 5.498 50 0 JKAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101495594 569800597 /nfs/dbraw/zinc/80/05/97/569800597.db2.gz ISOVKPAUUCTNAS-LJQANCHMSA-N -1 0 455.967 5.054 50 0 JKAARM CCCCn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3OC)C2)c([O-])[nH]c1=S ZINC000101495665 569800645 /nfs/dbraw/zinc/80/06/45/569800645.db2.gz QZFLKVJJMVSHTF-FQEVSTJZSA-N -1 0 467.616 5.778 50 0 JKAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101495657 569800739 /nfs/dbraw/zinc/80/07/39/569800739.db2.gz ZDQCGHNVVRNFRT-IBGZPJMESA-N -1 0 481.986 5.304 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1ccc(C)c(C)c1 ZINC000101501437 569800879 /nfs/dbraw/zinc/80/08/79/569800879.db2.gz DOPYPAHEMQXJCX-UHFFFAOYSA-N -1 0 450.539 5.337 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101501341 569800898 /nfs/dbraw/zinc/80/08/98/569800898.db2.gz LMJUKQHKGDRQOJ-UHFFFAOYSA-N -1 0 472.492 5.600 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)Nc1cccc(C)c1C ZINC000101501544 569800922 /nfs/dbraw/zinc/80/09/22/569800922.db2.gz QDQVJJRHCRMTSY-UHFFFAOYSA-N -1 0 450.539 5.337 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101505562 569801192 /nfs/dbraw/zinc/80/11/92/569801192.db2.gz XQSIDZSIMMUPFE-UHFFFAOYSA-N -1 0 472.492 5.518 50 0 JKAARM CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])=Nc2ccccc2S1 ZINC000101766662 569804716 /nfs/dbraw/zinc/80/47/16/569804716.db2.gz MNBPFPXTEPNHPA-QHCPKHFHSA-N -1 0 491.613 5.504 50 0 JKAARM CC(=O)c1cccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)c1 ZINC000101831424 569805448 /nfs/dbraw/zinc/80/54/48/569805448.db2.gz LAZCZHMRZMIPLQ-UHFFFAOYSA-N -1 0 466.950 5.047 50 0 JKAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)cc1C ZINC000101831431 569805555 /nfs/dbraw/zinc/80/55/55/569805555.db2.gz FVKMQTRSXFKDRA-UHFFFAOYSA-N -1 0 452.967 5.461 50 0 JKAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1Cl ZINC000101828188 569805571 /nfs/dbraw/zinc/80/55/71/569805571.db2.gz AEDJAAJPUNRCNQ-UHFFFAOYSA-N -1 0 458.905 5.041 50 0 JKAARM CCOc1ccccc1NC(=O)c1sc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)nc1C ZINC000101832455 569805698 /nfs/dbraw/zinc/80/56/98/569805698.db2.gz QZDSRRUWKYOLSO-UHFFFAOYSA-N -1 0 462.575 5.201 50 0 JKAARM COc1ccc(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)cc1OC1CCCC1 ZINC000040068299 569815467 /nfs/dbraw/zinc/81/54/67/569815467.db2.gz MTPAGDBLSIZWDV-UHFFFAOYSA-N -1 0 481.618 5.588 50 0 JKAARM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102704677 569816435 /nfs/dbraw/zinc/81/64/35/569816435.db2.gz DYWADYLSDWXVEG-VWYPKUQYSA-N -1 0 476.532 5.068 50 0 JKAARM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1 ZINC000040155188 569820644 /nfs/dbraw/zinc/82/06/44/569820644.db2.gz CYWHINMORMKTKN-UHFFFAOYSA-N -1 0 494.278 5.362 50 0 JKAARM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000040155187 569820670 /nfs/dbraw/zinc/82/06/70/569820670.db2.gz WCQSMHIMEOVBGU-UHFFFAOYSA-N -1 0 493.385 5.074 50 0 JKAARM COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102861133 569824781 /nfs/dbraw/zinc/82/47/81/569824781.db2.gz UZIPHRBUNIWBGW-RUZDIDTESA-N -1 0 476.529 5.131 50 0 JKAARM Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CSc1ccc(OCC(=O)[O-])c(C)c1 ZINC000040433849 569827998 /nfs/dbraw/zinc/82/79/98/569827998.db2.gz PJAYXSGSZKMBOK-UHFFFAOYSA-N -1 0 453.507 6.201 50 0 JKAARM COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000040566722 569830392 /nfs/dbraw/zinc/83/03/92/569830392.db2.gz RDCRFQNJWCYBNC-UHFFFAOYSA-N -1 0 455.479 5.330 50 0 JKAARM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043758045 569838479 /nfs/dbraw/zinc/83/84/79/569838479.db2.gz WLNARFZDISHUGS-PCUWWITNSA-N -1 0 486.737 7.804 50 0 biogenic JKAARM O=C([O-])c1ccccc1Sc1ccc(OCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045068826 569839970 /nfs/dbraw/zinc/83/99/70/569839970.db2.gz ISEDSIKBKOJQSJ-UHFFFAOYSA-N -1 0 483.033 5.386 50 0 JKAARM CCCc1c(OCCCOc2ccc(Sc3ccc(C(=O)[O-])cc3)cc2)ccc(C(C)=O)c1O ZINC000045068683 569839998 /nfs/dbraw/zinc/83/99/98/569839998.db2.gz QIEONRVDHLNOPJ-UHFFFAOYSA-N -1 0 480.582 6.245 50 0 JKAARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccs1 ZINC000104082691 569840533 /nfs/dbraw/zinc/84/05/33/569840533.db2.gz JOISOZCMNGDPJM-XGCWNURASA-N -1 0 490.556 6.302 50 0 JKAARM Cc1nc(N2N=C3/C(=C/c4ccccc4Cl)CCC[C@@H]3[C@@H]2c2ccccc2Cl)sc1C(=O)[O-] ZINC000051330199 569851858 /nfs/dbraw/zinc/85/18/58/569851858.db2.gz ONUOOOBDZQOZPY-WEAGKPILSA-N -1 0 498.435 7.258 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@H](C)C(=O)[O-])CC[C@@H]1C ZINC000105179669 569852753 /nfs/dbraw/zinc/85/27/53/569852753.db2.gz HSZFOQSMGNAIJM-DGKVHUAMSA-N -1 0 465.634 6.213 50 0 JKAARM O=C([O-])C[C@H]1CCc2c3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc3[nH]c21 ZINC000117522788 569862828 /nfs/dbraw/zinc/86/28/28/569862828.db2.gz MVGWUTBTXDYMND-QGZVFWFLSA-N -1 0 457.492 6.928 50 0 in-man JKAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000136628052 569864761 /nfs/dbraw/zinc/86/47/61/569864761.db2.gz VFFXYHZJXFSTJB-QKNQBKEWSA-N -1 0 473.743 5.698 50 0 JKAARM Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000137790823 569865156 /nfs/dbraw/zinc/86/51/56/569865156.db2.gz TUEBVZMUJOZKPU-FDFHNCONSA-N -1 0 453.325 5.353 50 0 JKAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137838612 569865322 /nfs/dbraw/zinc/86/53/22/569865322.db2.gz UWYACZATRJHYMB-JIMJEQGWSA-N -1 0 490.531 5.064 50 0 JKAARM CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137808183 569865326 /nfs/dbraw/zinc/86/53/26/569865326.db2.gz KGTCDSBYSHPIRU-RBZQAINGSA-N -1 0 460.961 5.689 50 0 JKAARM CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)[O-])CC[C@@H]1C ZINC000169072352 569868141 /nfs/dbraw/zinc/86/81/41/569868141.db2.gz HSZFOQSMGNAIJM-HJRZAIJXSA-N -1 0 465.634 6.213 50 0 JKAARM CCOc1cccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170612435 569872814 /nfs/dbraw/zinc/87/28/14/569872814.db2.gz GYVMVQAXTMSQMS-HXUWFJFHSA-N -1 0 465.937 5.138 50 0 JKAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000170614129 569872920 /nfs/dbraw/zinc/87/29/20/569872920.db2.gz VGDCNLHGVZLHPP-HSZRJFAPSA-N -1 0 484.581 5.452 50 0 JKAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(CC)cc4)[C@@H]3C2=O)cc1 ZINC000230000311 570043401 /nfs/dbraw/zinc/04/34/01/570043401.db2.gz ZFEIGZFMWSEKRO-JIMJEQGWSA-N -1 0 456.542 5.089 50 0 JKAARM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000230203236 570046271 /nfs/dbraw/zinc/04/62/71/570046271.db2.gz LGTRHQZPAVTYED-XZSZPMDUSA-N -1 0 480.564 5.258 50 0 JKAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000238937211 570048147 /nfs/dbraw/zinc/04/81/47/570048147.db2.gz UGEYFXNCYJMMDU-ACRUOGEOSA-N -1 0 485.621 5.307 50 0 JKAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@@H]2[C@]2(C)CCC[C@](C)(C(=O)[O-])[C@@H]2CC4)cc1 ZINC000239433572 570052397 /nfs/dbraw/zinc/05/23/97/570052397.db2.gz YAHGOSRWKWIBRM-MOMPHSKHSA-N -1 0 489.656 6.010 50 0 JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C ZINC000242543352 570053897 /nfs/dbraw/zinc/05/38/97/570053897.db2.gz JXSVIVRDWWRQRT-MZQXGPEZSA-N -1 0 488.709 5.033 50 0 endogenous,in-man JKAARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000242543353 570053899 /nfs/dbraw/zinc/05/38/99/570053899.db2.gz JXSVIVRDWWRQRT-PUURFOQUSA-N -1 0 488.709 5.033 50 0 endogenous,in-man JKAARM Cc1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](C(=O)[O-])[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 ZINC000252394444 570080107 /nfs/dbraw/zinc/08/01/07/570080107.db2.gz LOKOVVPWJUFVII-GXGCTUHHSA-N -1 0 497.016 5.722 50 0 JKAARM CCOC(=O)c1c(N=Cc2cn(C(=O)CCC(=O)[O-])c3ccccc23)sc2c1CCCC2 ZINC000252622106 570087600 /nfs/dbraw/zinc/08/76/00/570087600.db2.gz NOYUNOWTWWDMIU-UHFFFAOYSA-N -1 0 452.532 5.014 50 0 JKAARM Cc1cc(N=NCc2ccc(F)cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000252628478 570088913 /nfs/dbraw/zinc/08/89/13/570088913.db2.gz SRDBRYVASZPXDJ-UHFFFAOYSA-N -1 0 480.135 5.268 50 0 JKAARM O=C([O-])[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@H](Oc2cccc(Cl)c2F)CC1 ZINC000252670601 570092210 /nfs/dbraw/zinc/09/22/10/570092210.db2.gz LCVIRAZGMYMNNT-VVONHTQRSA-N -1 0 461.946 5.709 50 0 investigational JKAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000253394651 570095890 /nfs/dbraw/zinc/09/58/90/570095890.db2.gz AEYVMHRVPBMAPX-QFIPXVFZSA-N -1 0 451.478 5.038 50 0 JKAARM COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253395913 570095971 /nfs/dbraw/zinc/09/59/71/570095971.db2.gz AQVDHBQQXOBHCI-RUZDIDTESA-N -1 0 494.543 5.694 50 0 biogenic JKAARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000253399144 570096217 /nfs/dbraw/zinc/09/62/17/570096217.db2.gz CPOPMUCYWHLVKW-OAQYLSRUSA-N -1 0 492.483 6.168 50 0 biogenic JKAARM O=C([O-])c1ccccc1-c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)o1 ZINC000253399265 570096253 /nfs/dbraw/zinc/09/62/53/570096253.db2.gz CSPOKPLJVKDMTL-FQEVSTJZSA-N -1 0 496.446 5.998 50 0 biogenic JKAARM O=C1C[C@@H](c2cccc(OC(F)F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253402731 570096655 /nfs/dbraw/zinc/09/66/55/570096655.db2.gz GQKVEZZTFOPKCY-INIZCTEOSA-N -1 0 484.838 5.861 50 0 JKAARM O=C(C[C@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCCCC1 ZINC000253408211 570097373 /nfs/dbraw/zinc/09/73/73/570097373.db2.gz KMZGWHAQIXJEAF-OAQYLSRUSA-N -1 0 485.536 5.111 50 0 biogenic JKAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)c(OC)c1 ZINC000253412485 570097958 /nfs/dbraw/zinc/09/79/58/570097958.db2.gz RDPNSBJNNTYUMS-QGZVFWFLSA-N -1 0 478.884 5.277 50 0 biogenic JKAARM O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253413184 570098208 /nfs/dbraw/zinc/09/82/08/570098208.db2.gz UBTDYWNWIBWLHO-INIZCTEOSA-N -1 0 486.863 5.366 50 0 biogenic JKAARM C[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253497518 570100319 /nfs/dbraw/zinc/10/03/19/570100319.db2.gz FGBZWCJQOIVRTN-AEWMSGCCSA-N -1 0 474.726 6.142 50 0 JKAARM C[C@H](C(=O)[O-])[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253497520 570100343 /nfs/dbraw/zinc/10/03/43/570100343.db2.gz FGBZWCJQOIVRTN-RQQXXPCSSA-N -1 0 474.726 6.142 50 0 JKAARM C[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253497519 570100349 /nfs/dbraw/zinc/10/03/49/570100349.db2.gz FGBZWCJQOIVRTN-DWKWUESDSA-N -1 0 474.726 6.142 50 0 JKAARM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257348192 570152364 /nfs/dbraw/zinc/15/23/64/570152364.db2.gz CBBTWAWCVXJVTL-BTOKQOHLSA-N -1 0 468.744 7.296 50 0 JKAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000257358862 570153772 /nfs/dbraw/zinc/15/37/72/570153772.db2.gz WVHHZBXERBMTER-IXAVGLOHSA-N -1 0 498.748 7.804 50 0 JKAARM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000257622339 570154107 /nfs/dbraw/zinc/15/41/07/570154107.db2.gz XLPAINGDLCDYQV-HBJXXWBWSA-N -1 0 454.695 7.752 50 0 endogenous,in-man JKAARM CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(-c3ccccc3C(=O)[O-])o1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263585013 570170801 /nfs/dbraw/zinc/17/08/01/570170801.db2.gz DFKWTMZCPIPUKX-AREMUKBSSA-N -1 0 495.535 5.381 50 0 biogenic JKAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc3ncccc3c2)cc1OC ZINC000263585540 570171212 /nfs/dbraw/zinc/17/12/12/570171212.db2.gz JVTQXRAZPBJQKO-GOSISDBHSA-N -1 0 495.487 5.172 50 0 biogenic JKAARM O=C1C[C@@H](c2cccnc2Cl)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000263588183 570172406 /nfs/dbraw/zinc/17/24/06/570172406.db2.gz QDIVASKULICKTG-AWEZNQCLSA-N -1 0 454.265 5.308 50 0 JKAARM O=C([O-])CN(Cc1ccccc1Br)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309578213 570178855 /nfs/dbraw/zinc/17/88/55/570178855.db2.gz QEGXPTMBSXIEJY-UHFFFAOYSA-N -1 0 466.331 5.285 50 0 JKAARM CC(C)[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000390753324 570185363 /nfs/dbraw/zinc/18/53/63/570185363.db2.gz UIWVAVDYLPXQSG-RUZDIDTESA-N -1 0 463.961 6.200 50 0 JKAARM CC(C)[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000390753327 570185389 /nfs/dbraw/zinc/18/53/89/570185389.db2.gz UIWVAVDYLPXQSG-VWLOTQADSA-N -1 0 463.961 6.200 50 0 JKAARM C[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000393645866 570185484 /nfs/dbraw/zinc/18/54/84/570185484.db2.gz MMDFUSJWEBNNTG-OAHLLOKOSA-N -1 0 470.352 6.218 50 0 JKAARM