smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196418 1079945325 /nfs/dbraw/zinc/94/53/25/1079945325.db2.gz YDOYKAHOANTFLI-UHFFFAOYSA-N -1 1 365.404 4.100 20 10 FICDMM C[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196418 1079945326 /nfs/dbraw/zinc/94/53/26/1079945326.db2.gz YDOYKAHOANTFLI-UHFFFAOYSA-N -1 1 365.404 4.100 20 10 FICDMM COCc1ccc([C@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000137070995 1093776130 /nfs/dbraw/zinc/77/61/30/1093776130.db2.gz NRUYMHZKJDXLNO-CQSZACIVSA-N -1 1 366.801 4.030 20 10 FICDMM CN(C)c1ccc(CN(C)Cn2c(CCC3CCCC3)n[n-]c2=S)cc1 ZINC000058205138 1115139226 /nfs/dbraw/zinc/13/92/26/1115139226.db2.gz SUSFEENWIUWJTJ-UHFFFAOYSA-N -1 1 373.570 4.219 20 10 FICDMM Cc1c(Cl)cccc1-n1ccnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000914528207 1120334461 /nfs/dbraw/zinc/33/44/61/1120334461.db2.gz YJFNGAITFATNOB-UHFFFAOYSA-N -1 1 374.849 4.220 20 10 FICDMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(F)c(F)c1F ZINC000914786287 1120537090 /nfs/dbraw/zinc/53/70/90/1120537090.db2.gz CJXUPCDPUWMVLX-WUXMJOGZSA-N -1 1 368.405 4.000 20 10 FICDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000765767041 1121426345 /nfs/dbraw/zinc/42/63/45/1121426345.db2.gz ZAKWXLAGOQKOPF-JTQLQIEISA-N -1 1 368.658 4.228 20 10 FICDMM Cc1cc(Cl)cc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765770253 1121590848 /nfs/dbraw/zinc/59/08/48/1121590848.db2.gz NJHMVZPGDHYTTL-UHFFFAOYSA-N -1 1 354.631 4.047 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000765771268 1121612534 /nfs/dbraw/zinc/61/25/34/1121612534.db2.gz YHJCFFCYCCXRQR-UHFFFAOYSA-N -1 1 371.234 4.080 20 10 FICDMM O=C1[N-]C(=S)S/C1=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000255696700 1083421746 /nfs/dbraw/zinc/42/17/46/1083421746.db2.gz YDJIFZNZWSTHIY-BAQGIRSFSA-N -1 1 357.300 4.213 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000708147233 1085891307 /nfs/dbraw/zinc/89/13/07/1085891307.db2.gz WHECRYBSPLBTIA-MRVPVSSYSA-N -1 1 358.585 4.192 20 10 FICDMM CC[C@@H](c1cc(Cl)cc(Cl)c1[O-])N1CCc2sc(CN)nc2C1 ZINC000925749944 1086061215 /nfs/dbraw/zinc/06/12/15/1086061215.db2.gz BIEGFBRFGNPBRO-ZDUSSCGKSA-N -1 1 372.321 4.124 20 10 FICDMM COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cc1OC ZINC000756794675 1086094480 /nfs/dbraw/zinc/09/44/80/1086094480.db2.gz KSHLMLAMQPABQN-VIFPVBQESA-N -1 1 370.218 4.484 20 10 FICDMM [O-]c1c(Cl)cccc1CNc1cc2c(cc1Br)OCCO2 ZINC000159736969 1113230392 /nfs/dbraw/zinc/23/03/92/1113230392.db2.gz ODZWIGQUWFLCLZ-UHFFFAOYSA-N -1 1 370.630 4.191 20 10 FICDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(Cl)cc(Cl)c1F ZINC001649026265 1121265499 /nfs/dbraw/zinc/26/54/99/1121265499.db2.gz VRERAMSSKNUDRI-LURJTMIESA-N -1 1 362.159 4.174 20 10 FICDMM O=C(/C=C\c1ccccc1Cl)NCc1cccc(Br)c1[O-] ZINC000765765167 1121316259 /nfs/dbraw/zinc/31/62/59/1121316259.db2.gz OSHLCOVVNDXAKM-HJWRWDBZSA-N -1 1 366.642 4.138 20 10 FICDMM C[C@]1(C(=O)NCc2cccc(Br)c2[O-])CCCc2ccccc21 ZINC000765766491 1121348855 /nfs/dbraw/zinc/34/88/55/1121348855.db2.gz YGYCYBUADVXTOC-IBGZPJMESA-N -1 1 374.278 4.065 20 10 FICDMM O=C1/C(=C/c2cc(F)c([O-])c(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000255413173 1083465685 /nfs/dbraw/zinc/46/56/85/1083465685.db2.gz IMHCWGWNYAYCJG-QPEQYQDCSA-N -1 1 367.373 4.215 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000708147235 1085890744 /nfs/dbraw/zinc/89/07/44/1085890744.db2.gz WHECRYBSPLBTIA-QMMMGPOBSA-N -1 1 358.585 4.192 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001141373101 1086452136 /nfs/dbraw/zinc/45/21/36/1086452136.db2.gz NFOAGJQQEATBLB-GFCCVEGCSA-N -1 1 352.606 4.039 20 10 FICDMM Cc1ccccc1C1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765766465 1121350114 /nfs/dbraw/zinc/35/01/14/1121350114.db2.gz WXZARCBSQQYNQR-UHFFFAOYSA-N -1 1 374.278 4.201 20 10 FICDMM O=C(CSc1nc(-c2ccc(F)cc2)cs1)c1ccc([O-])c(O)c1 ZINC000916615881 1121562968 /nfs/dbraw/zinc/56/29/68/1121562968.db2.gz REYGFJAUOVIOLK-UHFFFAOYSA-N -1 1 361.419 4.335 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(C(F)F)cc1 ZINC000765770993 1121613851 /nfs/dbraw/zinc/61/38/51/1121613851.db2.gz UVRITISQGFJPMX-UHFFFAOYSA-N -1 1 356.166 4.022 20 10 FICDMM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000180792174 1124430747 /nfs/dbraw/zinc/43/07/47/1124430747.db2.gz FSPGBALQLQRKQG-UHFFFAOYSA-N -1 1 368.186 4.083 20 10 FICDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000070333951 1125490440 /nfs/dbraw/zinc/49/04/40/1125490440.db2.gz VPERUIISSGTONT-UHFFFAOYSA-N -1 1 352.626 4.153 20 10 FICDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCc2ccccc21 ZINC000728193727 1079942823 /nfs/dbraw/zinc/94/28/23/1079942823.db2.gz ANIPDSBXXYBIQG-OAQYLSRUSA-N -1 1 373.452 4.448 20 10 FICDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCc2ccccc21 ZINC000728193727 1079942824 /nfs/dbraw/zinc/94/28/24/1079942824.db2.gz ANIPDSBXXYBIQG-OAQYLSRUSA-N -1 1 373.452 4.448 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000892316454 1085883431 /nfs/dbraw/zinc/88/34/31/1085883431.db2.gz UVELOKJGDCDJHO-VQIMIIECSA-N -1 1 374.868 4.013 20 10 FICDMM CN(C(=O)OC(C)(C)C)c1ccc(NCc2cccc(Cl)c2[O-])cn1 ZINC000328016878 1088987858 /nfs/dbraw/zinc/98/78/58/1088987858.db2.gz RKBIROPQNFDYQA-UHFFFAOYSA-N -1 1 363.845 4.424 20 10 FICDMM [O-]c1c(Br)cccc1CNc1cc2c(cc1Cl)OCO2 ZINC000048796027 1102864408 /nfs/dbraw/zinc/86/44/08/1102864408.db2.gz GMMMIMQKPXKANF-UHFFFAOYSA-N -1 1 356.603 4.149 20 10 FICDMM CC[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765764438 1121298252 /nfs/dbraw/zinc/29/82/52/1121298252.db2.gz KCKXIMPFYJOQOE-CYBMUJFWSA-N -1 1 362.267 4.355 20 10 FICDMM CCSc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765764098 1121309390 /nfs/dbraw/zinc/30/93/90/1121309390.db2.gz IAJSTVDJHWRGIQ-UHFFFAOYSA-N -1 1 366.280 4.197 20 10 FICDMM Cn1c(=O)c(NCc2cc(Cl)c3cccnc3c2[O-])cc2ccccc21 ZINC001168523678 1122624069 /nfs/dbraw/zinc/62/40/69/1122624069.db2.gz RFULRCDUJKIDNT-UHFFFAOYSA-N -1 1 365.820 4.058 20 10 FICDMM Cc1cc(Br)c([O-])c(CN2CC(F)(F)C[C@@]2(C)CF)c1 ZINC001236663441 1124825619 /nfs/dbraw/zinc/82/56/19/1124825619.db2.gz OGKIJMPFMIQSDE-ZDUSSCGKSA-N -1 1 352.194 4.032 20 10 FICDMM CC(C)Cn1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1=O ZINC001168526472 1125781557 /nfs/dbraw/zinc/78/15/57/1125781557.db2.gz WPPYARQFIZHHFE-UHFFFAOYSA-N -1 1 357.841 4.024 20 10 FICDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000728199424 1079950046 /nfs/dbraw/zinc/95/00/46/1079950046.db2.gz UQCZLHFDZDEPHV-LJQANCHMSA-N -1 1 373.452 4.318 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000728199424 1079950053 /nfs/dbraw/zinc/95/00/53/1079950053.db2.gz UQCZLHFDZDEPHV-LJQANCHMSA-N -1 1 373.452 4.318 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000728199424 1079950057 /nfs/dbraw/zinc/95/00/57/1079950057.db2.gz UQCZLHFDZDEPHV-LJQANCHMSA-N -1 1 373.452 4.318 20 10 FICDMM C[C@H](Nc1ccc2c(c1)ncn2C)c1cc(Br)cc(F)c1[O-] ZINC000757609983 1101936769 /nfs/dbraw/zinc/93/67/69/1101936769.db2.gz DSQBCOPSRVPPDX-VIFPVBQESA-N -1 1 364.218 4.354 20 10 FICDMM Cc1nc(-c2ccc(N[C@H](C)c3ccc(N(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000302477872 1107372904 /nfs/dbraw/zinc/37/29/04/1107372904.db2.gz XLRLGBPRJRCQCQ-OAHLLOKOSA-N -1 1 363.465 4.100 20 10 FICDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c2ccccc12 ZINC000915186043 1120859358 /nfs/dbraw/zinc/85/93/58/1120859358.db2.gz DWMOWNDLVRZUFR-UHFFFAOYSA-N -1 1 357.431 4.133 20 10 FICDMM Cc1ccc(C(C)(C)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765763530 1121265543 /nfs/dbraw/zinc/26/55/43/1121265543.db2.gz CTPDCWLSLSGJEB-UHFFFAOYSA-N -1 1 362.267 4.057 20 10 FICDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000765767049 1121426372 /nfs/dbraw/zinc/42/63/72/1121426372.db2.gz ZAKWXLAGOQKOPF-SNVBAGLBSA-N -1 1 368.658 4.228 20 10 FICDMM COc1cc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cc(OC)c1 ZINC000756866287 1086477928 /nfs/dbraw/zinc/47/79/28/1086477928.db2.gz ZFDKJBHQNTVGPT-SECBINFHSA-N -1 1 370.218 4.484 20 10 FICDMM COc1ccc(-n2c(C)cc(C(=O)Nc3c([O-])cccc3F)c2C)cc1 ZINC000760196757 1101622844 /nfs/dbraw/zinc/62/28/44/1101622844.db2.gz SSOKKOCQFDOYEI-UHFFFAOYSA-N -1 1 354.381 4.200 20 10 FICDMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cccc(Br)c1[O-] ZINC000054683097 1114210932 /nfs/dbraw/zinc/21/09/32/1114210932.db2.gz RRVGEUGGSPCDBL-AWEZNQCLSA-N -1 1 367.630 4.004 20 10 FICDMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cccc(Br)c1[O-] ZINC000054683093 1114211061 /nfs/dbraw/zinc/21/10/61/1114211061.db2.gz RRVGEUGGSPCDBL-CQSZACIVSA-N -1 1 367.630 4.004 20 10 FICDMM CCOc1cc(C(=O)Nc2cccc(N3CCCC3)c2)cc(Cl)c1[O-] ZINC000762583203 1120933484 /nfs/dbraw/zinc/93/34/84/1120933484.db2.gz SJPVMHHWBJUVRU-UHFFFAOYSA-N -1 1 360.841 4.297 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC000728197969 1079946922 /nfs/dbraw/zinc/94/69/22/1079946922.db2.gz JXEGIPHTBOUCLJ-FQEVSTJZSA-N -1 1 374.440 4.061 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2c2ccccn2)c1[O-] ZINC000728197969 1079946925 /nfs/dbraw/zinc/94/69/25/1079946925.db2.gz JXEGIPHTBOUCLJ-FQEVSTJZSA-N -1 1 374.440 4.061 20 10 FICDMM Cc1nc2ccc(Nc3cc4c(cc3[O-])C(=O)c3ccccc3C4=O)cc2o1 ZINC001213067520 1093562498 /nfs/dbraw/zinc/56/24/98/1093562498.db2.gz GFMPTUVOAYLSCE-UHFFFAOYSA-N -1 1 370.364 4.361 20 10 FICDMM CC[C@](C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc(C)cs1 ZINC000174506225 1116138028 /nfs/dbraw/zinc/13/80/28/1116138028.db2.gz KPROIFILFNYKRB-HNNXBMFYSA-N -1 1 355.847 4.134 20 10 FICDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cc(Cl)cc(Cl)c1F ZINC001649026266 1121265376 /nfs/dbraw/zinc/26/53/76/1121265376.db2.gz VRERAMSSKNUDRI-ZCFIWIBFSA-N -1 1 362.159 4.174 20 10 FICDMM C[C@@]1(C(=O)NCc2cccc(Br)c2[O-])CCCc2ccccc21 ZINC000765766492 1121348719 /nfs/dbraw/zinc/34/87/19/1121348719.db2.gz YGYCYBUADVXTOC-LJQANCHMSA-N -1 1 374.278 4.065 20 10 FICDMM O=C(COC(=O)c1c2ccccc2cc2ccccc21)c1ccc([O-])c(O)c1 ZINC000916590250 1121553977 /nfs/dbraw/zinc/55/39/77/1121553977.db2.gz SHJFSQGEWGJNAJ-UHFFFAOYSA-N -1 1 372.376 4.444 20 10 FICDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(-n2ccnc2)cc1 ZINC001648864742 1081327030 /nfs/dbraw/zinc/32/70/30/1081327030.db2.gz XJCRZTHNYUUNEX-UHFFFAOYSA-N -1 1 362.202 4.092 20 10 FICDMM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC1(F)F ZINC001141367931 1086399990 /nfs/dbraw/zinc/39/99/90/1086399990.db2.gz XKIBEOUHRGYQNF-MRVPVSSYSA-N -1 1 354.622 4.285 20 10 FICDMM CCCOC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373232 1086450573 /nfs/dbraw/zinc/45/05/73/1086450573.db2.gz SRIIQWSMXSUGET-UHFFFAOYSA-N -1 1 362.695 4.199 20 10 FICDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2c2ccccc2)c1 ZINC000781908572 1091044015 /nfs/dbraw/zinc/04/40/15/1091044015.db2.gz JYCHUMQIBXWUFW-QGZVFWFLSA-N -1 1 362.267 4.037 20 10 FICDMM CC[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765764440 1121298097 /nfs/dbraw/zinc/29/80/97/1121298097.db2.gz KCKXIMPFYJOQOE-ZDUSSCGKSA-N -1 1 362.267 4.355 20 10 FICDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000917114290 1122163116 /nfs/dbraw/zinc/16/31/16/1122163116.db2.gz ZTHLWZDRTWARQJ-UHFFFAOYSA-N -1 1 372.428 4.442 20 10 FICDMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000120822097 1080723578 /nfs/dbraw/zinc/72/35/78/1080723578.db2.gz MMQWJHQTLQFGPZ-UHFFFAOYSA-N -1 1 357.793 4.187 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(C(F)F)CC1 ZINC000708216955 1086275242 /nfs/dbraw/zinc/27/52/42/1086275242.db2.gz XCMVKJQLEMZXPY-UHFFFAOYSA-N -1 1 354.622 4.285 20 10 FICDMM CC(C)Cn1cc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000756855020 1086454945 /nfs/dbraw/zinc/45/49/45/1086454945.db2.gz JRPRBNLYSLSIHP-SNVBAGLBSA-N -1 1 356.239 4.319 20 10 FICDMM O=[N+]([O-])c1ccc([O-])c(CNC2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000759828386 1091252351 /nfs/dbraw/zinc/25/23/51/1091252351.db2.gz NJGKTUJAVBKCEW-UHFFFAOYSA-N -1 1 353.205 4.386 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000893823079 1092728259 /nfs/dbraw/zinc/72/82/59/1092728259.db2.gz URAYXBBQPJIBKO-KBXCAEBGSA-N -1 1 374.868 4.013 20 10 FICDMM C[C@@H](N[C@@H](C)c1ncccc1F)c1cc(Br)cc(F)c1[O-] ZINC000528036393 1109890039 /nfs/dbraw/zinc/89/00/39/1109890039.db2.gz QXXFEKPYMSIQIY-BDAKNGLRSA-N -1 1 357.198 4.240 20 10 FICDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(F)cc3[O-])ccc21 ZINC000533970596 1116090620 /nfs/dbraw/zinc/09/06/20/1116090620.db2.gz ODBSCGSTCDGEET-UHFFFAOYSA-N -1 1 356.397 4.002 20 10 FICDMM CC[C@@](C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc(C)cs1 ZINC000174506236 1116138018 /nfs/dbraw/zinc/13/80/18/1116138018.db2.gz KPROIFILFNYKRB-OAHLLOKOSA-N -1 1 355.847 4.134 20 10 FICDMM [O-]c1c(Br)cccc1CNc1cc2c(cc1Cl)OCCO2 ZINC000048795759 1085006133 /nfs/dbraw/zinc/00/61/33/1085006133.db2.gz FUROPAJXSSQTSS-UHFFFAOYSA-N -1 1 370.630 4.191 20 10 FICDMM CC[C@@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000154906607 1086451395 /nfs/dbraw/zinc/45/13/95/1086451395.db2.gz NERQDHUBNXHMNX-CYBMUJFWSA-N -1 1 369.296 4.258 20 10 FICDMM Cc1c2cc(C)ccc2[nH]c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765765487 1121316840 /nfs/dbraw/zinc/31/68/40/1121316840.db2.gz SPZNZYYVZWCYCX-UHFFFAOYSA-N -1 1 373.250 4.183 20 10 FICDMM O=C(C/C=C/c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765765203 1121317837 /nfs/dbraw/zinc/31/78/37/1121317837.db2.gz PREOYMQZAVEEIR-GORDUTHDSA-N -1 1 364.214 4.014 20 10 FICDMM [O-]c1c(Br)cccc1CNc1nc2ccccc2n1C1CC1 ZINC000763425653 1122539440 /nfs/dbraw/zinc/53/94/40/1122539440.db2.gz MBBHXPFKEMGWMZ-UHFFFAOYSA-N -1 1 358.239 4.451 20 10 FICDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000728279956 1081513974 /nfs/dbraw/zinc/51/39/74/1081513974.db2.gz NGBFVLSOXPUQJH-UHFFFAOYSA-N -1 1 358.869 4.308 20 10 FICDMM C[C@]1(c2ccc(Cl)cc2)CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142527173 1102157231 /nfs/dbraw/zinc/15/72/31/1102157231.db2.gz NDCNBPFIURRDSU-GOSISDBHSA-N -1 1 353.796 4.071 20 10 FICDMM Cc1c2ccccc2n(C)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000480522278 1112457158 /nfs/dbraw/zinc/45/71/58/1112457158.db2.gz MVTGIVITFFXNPB-UHFFFAOYSA-N -1 1 373.460 4.273 20 10 FICDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000174728504 1118948557 /nfs/dbraw/zinc/94/85/57/1118948557.db2.gz ZBOUACQDAZWISC-UHFFFAOYSA-N -1 1 363.382 4.113 20 10 FICDMM O=C1CCCc2cc(NCc3cccc(Br)c3[O-])ccc2N1 ZINC000130413082 1121078495 /nfs/dbraw/zinc/07/84/95/1121078495.db2.gz IOSXJGVRAVOZMQ-UHFFFAOYSA-N -1 1 361.239 4.042 20 10 FICDMM O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2[O-])N1CC(F)(F)F ZINC000917500415 1122330597 /nfs/dbraw/zinc/33/05/97/1122330597.db2.gz BYINXJKOADOXGQ-CQSZACIVSA-N -1 1 356.731 4.174 20 10 FICDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000728199423 1079950202 /nfs/dbraw/zinc/95/02/02/1079950202.db2.gz UQCZLHFDZDEPHV-IBGZPJMESA-N -1 1 373.452 4.318 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000728199423 1079950205 /nfs/dbraw/zinc/95/02/05/1079950205.db2.gz UQCZLHFDZDEPHV-IBGZPJMESA-N -1 1 373.452 4.318 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[O-] ZINC000728199423 1079950208 /nfs/dbraw/zinc/95/02/08/1079950208.db2.gz UQCZLHFDZDEPHV-IBGZPJMESA-N -1 1 373.452 4.318 20 10 FICDMM Cc1nc(Br)ccc1NCc1cccc(Br)c1[O-] ZINC000230721885 1115967855 /nfs/dbraw/zinc/96/78/55/1115967855.db2.gz CTBUGLNWLPMOHR-UHFFFAOYSA-N -1 1 372.060 4.233 20 10 FICDMM Cc1ccccc1C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765117 1121319483 /nfs/dbraw/zinc/31/94/83/1121319483.db2.gz NLWOKOQWDDJRIE-UHFFFAOYSA-N -1 1 362.267 4.057 20 10 FICDMM O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccc([O-])c(O)c1 ZINC000916590162 1121553822 /nfs/dbraw/zinc/55/38/22/1121553822.db2.gz DIPQTYSDTKJFAS-UHFFFAOYSA-N -1 1 362.790 4.006 20 10 FICDMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1[O-] ZINC000917500363 1122330615 /nfs/dbraw/zinc/33/06/15/1122330615.db2.gz AMQSSZDDKOELMS-LJQANCHMSA-N -1 1 368.820 4.430 20 10 FICDMM O=c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1C1CCC1 ZINC001168525393 1123792585 /nfs/dbraw/zinc/79/25/85/1123792585.db2.gz CBIHSFYCMDQECP-UHFFFAOYSA-N -1 1 355.825 4.093 20 10 FICDMM COc1ccc(CN(C)Cc2ccccc2Br)c([O-])c1Cl ZINC001236801674 1125076957 /nfs/dbraw/zinc/07/69/57/1125076957.db2.gz LFVXQZQFOULHAU-UHFFFAOYSA-N -1 1 370.674 4.449 20 10 FICDMM Cc1ccccc1C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194294 1079943759 /nfs/dbraw/zinc/94/37/59/1079943759.db2.gz JGJCLPGRJFJXGC-UHFFFAOYSA-N -1 1 361.441 4.269 20 10 FICDMM Cc1ccccc1C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194294 1079943761 /nfs/dbraw/zinc/94/37/61/1079943761.db2.gz JGJCLPGRJFJXGC-UHFFFAOYSA-N -1 1 361.441 4.269 20 10 FICDMM CC[C@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000154906489 1086451372 /nfs/dbraw/zinc/45/13/72/1086451372.db2.gz NERQDHUBNXHMNX-ZDUSSCGKSA-N -1 1 369.296 4.258 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001141373102 1086452475 /nfs/dbraw/zinc/45/24/75/1086452475.db2.gz NFOAGJQQEATBLB-LBPRGKRZSA-N -1 1 352.606 4.039 20 10 FICDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(F)c3[O-])ccc21 ZINC000530006526 1106747404 /nfs/dbraw/zinc/74/74/04/1106747404.db2.gz QACYZRHOHGLDFU-UHFFFAOYSA-N -1 1 356.397 4.002 20 10 FICDMM Cc1cc(C(=O)N2CCCC2)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000840952311 1107926288 /nfs/dbraw/zinc/92/62/88/1107926288.db2.gz LJTQRUSGRMVCJM-UHFFFAOYSA-N -1 1 362.832 4.341 20 10 FICDMM O=C1[N-]C(=S)S/C1=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000151359270 1114350335 /nfs/dbraw/zinc/35/03/35/1114350335.db2.gz YDJIFZNZWSTHIY-FPYGCLRLSA-N -1 1 357.300 4.213 20 10 FICDMM O=C(/C=C/Sc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765754953 1121033436 /nfs/dbraw/zinc/03/34/36/1121033436.db2.gz YPAZPVFCOCJRNC-MDZDMXLPSA-N -1 1 364.264 4.077 20 10 FICDMM O=C(C/C=C\c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765765201 1121318024 /nfs/dbraw/zinc/31/80/24/1121318024.db2.gz PREOYMQZAVEEIR-DJWKRKHSSA-N -1 1 364.214 4.014 20 10 FICDMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000214268229 1122214788 /nfs/dbraw/zinc/21/47/88/1122214788.db2.gz PDMXVRPYZRFNAA-VGOFMYFVSA-N -1 1 366.364 4.437 20 10 FICDMM Cc1ccnc(NCc2cccc(Br)c2[O-])c1Br ZINC000804654089 1079527242 /nfs/dbraw/zinc/52/72/42/1079527242.db2.gz GUEFNDJGRRSJLT-UHFFFAOYSA-N -1 1 372.060 4.233 20 10 FICDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000728196569 1079941672 /nfs/dbraw/zinc/94/16/72/1079941672.db2.gz UWVINGUAEPUUSX-HXUWFJFHSA-N -1 1 359.425 4.276 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000728196569 1079941674 /nfs/dbraw/zinc/94/16/74/1079941674.db2.gz UWVINGUAEPUUSX-HXUWFJFHSA-N -1 1 359.425 4.276 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]2c2ccccc2)c1[O-] ZINC000728196569 1079941675 /nfs/dbraw/zinc/94/16/75/1079941675.db2.gz UWVINGUAEPUUSX-HXUWFJFHSA-N -1 1 359.425 4.276 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001141367805 1086395863 /nfs/dbraw/zinc/39/58/63/1086395863.db2.gz RAAMOKXYEIIDMB-AOOOYVTPSA-N -1 1 366.633 4.285 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH2+]C2(c3ccccc3)CCC2)c1[O-] ZINC000728706925 1089694816 /nfs/dbraw/zinc/69/48/16/1089694816.db2.gz JFOZMNPILGFHRS-UHFFFAOYSA-N -1 1 373.452 4.498 20 10 FICDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189130556 1090966076 /nfs/dbraw/zinc/96/60/76/1090966076.db2.gz NRAGUIOZJIEESU-INIZCTEOSA-N -1 1 372.424 4.373 20 10 FICDMM C[C@@]1(c2ccc(Cl)cc2)CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142527174 1102157388 /nfs/dbraw/zinc/15/73/88/1102157388.db2.gz NDCNBPFIURRDSU-SFHVURJKSA-N -1 1 353.796 4.071 20 10 FICDMM CCc1onc(C)c1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000927135254 1112298305 /nfs/dbraw/zinc/29/83/05/1112298305.db2.gz RFCZZKMWLMIHGE-QMMMGPOBSA-N -1 1 357.223 4.003 20 10 FICDMM CC(C)c1nn(-c2ccccc2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000255768109 1083487763 /nfs/dbraw/zinc/48/77/63/1083487763.db2.gz HARHFWNDVRVGTG-XYOKQWHBSA-N -1 1 363.895 4.138 20 10 FICDMM CC(=O)Nc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cc1 ZINC000756864961 1086477795 /nfs/dbraw/zinc/47/77/95/1086477795.db2.gz NZHQTGRURTXJHN-VIFPVBQESA-N -1 1 367.218 4.425 20 10 FICDMM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)s2)cc1 ZINC000728697636 1089281853 /nfs/dbraw/zinc/28/18/53/1089281853.db2.gz UKLWNBCMCWAMEZ-QGOAFFKASA-N -1 1 360.438 4.185 20 10 FICDMM C[C@H](NCc1nc2c(s1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000927120303 1112142125 /nfs/dbraw/zinc/14/21/25/1112142125.db2.gz HZSMBOSJUIYELB-QMMMGPOBSA-N -1 1 359.278 4.079 20 10 FICDMM Cc1ccc(C[N@@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000728196526 1079945912 /nfs/dbraw/zinc/94/59/12/1079945912.db2.gz LTNNWHHWLRJKRB-UHFFFAOYSA-N -1 1 367.470 4.331 20 10 FICDMM Cc1ccc(C[N@H+](C)Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])s1 ZINC000728196526 1079945913 /nfs/dbraw/zinc/94/59/13/1079945913.db2.gz LTNNWHHWLRJKRB-UHFFFAOYSA-N -1 1 367.470 4.331 20 10 FICDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])c1cccc(C(F)(F)F)n1 ZINC000890762825 1080768988 /nfs/dbraw/zinc/76/89/88/1080768988.db2.gz JZMQKFAYUQXSSB-UHFFFAOYSA-N -1 1 372.774 4.053 20 10 FICDMM CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)c3ccccc3)CC2)c1[O-] ZINC000177247340 1083781421 /nfs/dbraw/zinc/78/14/21/1083781421.db2.gz UYTRLJOIFSEPIZ-UHFFFAOYSA-N -1 1 371.864 4.343 20 10 FICDMM CC(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1Cl ZINC000048796061 1102864115 /nfs/dbraw/zinc/86/41/15/1102864115.db2.gz SJKJWBVWPKECJU-UHFFFAOYSA-N -1 1 369.646 4.379 20 10 FICDMM O=C(/C=C\Sc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765754951 1121033536 /nfs/dbraw/zinc/03/35/36/1121033536.db2.gz YPAZPVFCOCJRNC-KTKRTIGZSA-N -1 1 364.264 4.077 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(s1)CCCC2 ZINC000765768171 1121462248 /nfs/dbraw/zinc/46/22/48/1121462248.db2.gz HNTRPQCKUBOENA-UHFFFAOYSA-N -1 1 366.280 4.025 20 10 FICDMM Cc1ccccc1[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765771248 1121612239 /nfs/dbraw/zinc/61/22/39/1121612239.db2.gz XEQJBGKLUAEQID-CYBMUJFWSA-N -1 1 362.267 4.273 20 10 FICDMM O=C(Nc1cccc(N2CCCC2)c1)c1cc(Br)ccc1[O-] ZINC000917697792 1122405123 /nfs/dbraw/zinc/40/51/23/1122405123.db2.gz PIVUZCXDPXFZCG-UHFFFAOYSA-N -1 1 361.239 4.007 20 10 FICDMM CC(C)O[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708076231 1085208682 /nfs/dbraw/zinc/20/86/82/1085208682.db2.gz UNJCRRDBPBZWOP-ZDUSSCGKSA-N -1 1 362.695 4.198 20 10 FICDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)nc1 ZINC000896318578 1094524298 /nfs/dbraw/zinc/52/42/98/1094524298.db2.gz XGAIWORTWIXTCW-VIFPVBQESA-N -1 1 373.762 4.020 20 10 FICDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)nc1 ZINC000896318577 1094524480 /nfs/dbraw/zinc/52/44/80/1094524480.db2.gz XGAIWORTWIXTCW-SECBINFHSA-N -1 1 373.762 4.020 20 10 FICDMM CCc1onc(C)c1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000927135253 1112298336 /nfs/dbraw/zinc/29/83/36/1112298336.db2.gz RFCZZKMWLMIHGE-MRVPVSSYSA-N -1 1 357.223 4.003 20 10 FICDMM Cc1cc(C)c2c(n1)sc1c2N[C@H](c2cccc(Cl)c2[O-])NC1=O ZINC000917502456 1122331387 /nfs/dbraw/zinc/33/13/87/1122331387.db2.gz YGCYPQHLQLUAKK-HNNXBMFYSA-N -1 1 359.838 4.126 20 10 FICDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920432018 1123461223 /nfs/dbraw/zinc/46/12/23/1123461223.db2.gz BGVZCGWXEWETEI-UHFFFAOYSA-N -1 1 358.869 4.308 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCC(F)(F)CC1 ZINC000708214492 1086273151 /nfs/dbraw/zinc/27/31/51/1086273151.db2.gz ASQOIEYJTAYZEZ-UHFFFAOYSA-N -1 1 354.622 4.429 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000893823082 1092727762 /nfs/dbraw/zinc/72/77/62/1092727762.db2.gz URAYXBBQPJIBKO-RDTXWAMCSA-N -1 1 374.868 4.013 20 10 FICDMM COCCn1c(C)c(C)c2cc(C(=O)Nc3c([O-])cccc3F)ccc21 ZINC000608367487 1093201948 /nfs/dbraw/zinc/20/19/48/1093201948.db2.gz RTGUDGDTZIIRNN-UHFFFAOYSA-N -1 1 356.397 4.002 20 10 FICDMM Cc1ccccc1-c1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000729644203 1102853097 /nfs/dbraw/zinc/85/30/97/1102853097.db2.gz RYRPVWHZDNTMMU-RCCKNPSSSA-N -1 1 354.409 4.123 20 10 FICDMM CCCc1c(NCc2cccc(Cl)c2[O-])cnn1-c1cc(C)ccn1 ZINC000761228142 1115675427 /nfs/dbraw/zinc/67/54/27/1115675427.db2.gz HNNLGTWLIWNYCW-UHFFFAOYSA-N -1 1 356.857 4.499 20 10 FICDMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cccc(Br)c1[O-] ZINC000054683219 1122191370 /nfs/dbraw/zinc/19/13/70/1122191370.db2.gz KNJLFDCKXMEJSZ-CQSZACIVSA-N -1 1 367.630 4.004 20 10 FICDMM CC1(C)CCc2sc(NC(=O)NCc3cccc(Cl)c3[O-])nc21 ZINC001625790227 1079799231 /nfs/dbraw/zinc/79/92/31/1079799231.db2.gz YHNQVMZISVHIQY-UHFFFAOYSA-N -1 1 351.859 4.048 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+](C2CC2)C2CCCC2)c1[O-] ZINC000728195751 1079944851 /nfs/dbraw/zinc/94/48/51/1079944851.db2.gz ODXAWBCLZHXQFH-UHFFFAOYSA-N -1 1 351.446 4.236 20 10 FICDMM [O-]c1c(F)cc(Br)cc1CNc1ccc2c(c1)OCCCO2 ZINC001648859140 1081319984 /nfs/dbraw/zinc/31/99/84/1081319984.db2.gz GVCGUOAVPIHLQL-UHFFFAOYSA-N -1 1 368.202 4.067 20 10 FICDMM O=[N+]([O-])c1ccc(NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000048796031 1085006177 /nfs/dbraw/zinc/00/61/77/1085006177.db2.gz JAGGZRHOWYZRMJ-UHFFFAOYSA-N -1 1 357.591 4.328 20 10 FICDMM Cc1cc(C)cc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)c1 ZINC000765771272 1121612707 /nfs/dbraw/zinc/61/27/07/1121612707.db2.gz YPHXGWGLCRCSMN-UHFFFAOYSA-N -1 1 374.278 4.120 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(OC2CCC2)CC1 ZINC001141367828 1086396921 /nfs/dbraw/zinc/39/69/21/1086396921.db2.gz SBJVCZLADCRSBC-UHFFFAOYSA-N -1 1 374.706 4.342 20 10 FICDMM Cc1ccc(-c2nnc(NCc3cccc(Br)c3[O-])o2)s1 ZINC000195008343 1091442584 /nfs/dbraw/zinc/44/25/84/1091442584.db2.gz YKWMTEKVJAPNPQ-UHFFFAOYSA-N -1 1 366.240 4.187 20 10 FICDMM Cc1cc(C)c(/C=C\C(=O)NCc2cccc(Br)c2[O-])cc1C ZINC001626822831 1102399740 /nfs/dbraw/zinc/39/97/40/1102399740.db2.gz WXDCAEZLQXLCRJ-FPLPWBNLSA-N -1 1 374.278 4.410 20 10 FICDMM COc1cc(NCc2cccc(Br)c2[O-])c(OC)cc1Cl ZINC000048794659 1102814037 /nfs/dbraw/zinc/81/40/37/1102814037.db2.gz MKUYCAOGKYUFLR-UHFFFAOYSA-N -1 1 372.646 4.437 20 10 FICDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000732525681 1121066782 /nfs/dbraw/zinc/06/67/82/1121066782.db2.gz BKEYPUXCCHIEKW-UHFFFAOYSA-N -1 1 371.289 4.394 20 10 FICDMM CC[C@H](c1cc(Cl)cc(Cl)c1[O-])N1CCc2sc(CN)nc2C1 ZINC000925749942 1086062043 /nfs/dbraw/zinc/06/20/43/1086062043.db2.gz BIEGFBRFGNPBRO-CYBMUJFWSA-N -1 1 372.321 4.124 20 10 FICDMM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)s2)cc1 ZINC000728697635 1089281578 /nfs/dbraw/zinc/28/15/78/1089281578.db2.gz UKLWNBCMCWAMEZ-AQTBWJFISA-N -1 1 360.438 4.185 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000893823081 1092727976 /nfs/dbraw/zinc/72/79/76/1092727976.db2.gz URAYXBBQPJIBKO-KSSFIOAISA-N -1 1 374.868 4.013 20 10 FICDMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000059137463 1115445954 /nfs/dbraw/zinc/44/59/54/1115445954.db2.gz PDMXVRPYZRFNAA-AUWJEWJLSA-N -1 1 366.364 4.437 20 10 FICDMM Cc1cc(NCc2cccc(Br)c2[O-])cnc1Br ZINC000228493477 1115685278 /nfs/dbraw/zinc/68/52/78/1115685278.db2.gz GYQKYVXWWKWBNI-UHFFFAOYSA-N -1 1 372.060 4.233 20 10 FICDMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC000172675289 1115971847 /nfs/dbraw/zinc/97/18/47/1115971847.db2.gz OLYUZJDNDNXOEX-UHFFFAOYSA-N -1 1 374.506 4.014 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1cc2sccc2s1 ZINC000765754679 1121049993 /nfs/dbraw/zinc/04/99/93/1121049993.db2.gz VTWKBTCJDBXDFH-UHFFFAOYSA-N -1 1 368.277 4.361 20 10 FICDMM Cc1ccc2oc(C(=O)NCc3cccc(Br)c3[O-])cc2c1 ZINC000765764473 1121299404 /nfs/dbraw/zinc/29/94/04/1121299404.db2.gz KTWUEKSLVCHZNC-UHFFFAOYSA-N -1 1 360.207 4.139 20 10 FICDMM O=C(CCc1ccc(Cl)cc1)NCc1cccc(Br)c1[O-] ZINC000765766838 1121432981 /nfs/dbraw/zinc/43/29/81/1121432981.db2.gz CRTWCMKQVSEIQN-UHFFFAOYSA-N -1 1 368.658 4.057 20 10 FICDMM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(N(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000302477871 1107373378 /nfs/dbraw/zinc/37/33/78/1107373378.db2.gz XLRLGBPRJRCQCQ-HNNXBMFYSA-N -1 1 363.465 4.100 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2sccc2c1 ZINC000765771336 1121612402 /nfs/dbraw/zinc/61/24/02/1121612402.db2.gz ZZCAZFYLVILELM-UHFFFAOYSA-N -1 1 362.248 4.299 20 10 FICDMM CC(C)Cn1cccc(NCc2cc(Cl)c3cccnc3c2[O-])c1=O ZINC001168525844 1124591460 /nfs/dbraw/zinc/59/14/60/1124591460.db2.gz MQSSZZXSRMRXJH-UHFFFAOYSA-N -1 1 357.841 4.024 20 10 FICDMM C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCc2ccccc21 ZINC000728193725 1079941577 /nfs/dbraw/zinc/94/15/77/1079941577.db2.gz ANIPDSBXXYBIQG-NRFANRHFSA-N -1 1 373.452 4.448 20 10 FICDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCc2ccccc21 ZINC000728193725 1079941581 /nfs/dbraw/zinc/94/15/81/1079941581.db2.gz ANIPDSBXXYBIQG-NRFANRHFSA-N -1 1 373.452 4.448 20 10 FICDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCc2ccccc21 ZINC000728193725 1079941585 /nfs/dbraw/zinc/94/15/85/1079941585.db2.gz ANIPDSBXXYBIQG-NRFANRHFSA-N -1 1 373.452 4.448 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000892316452 1085884096 /nfs/dbraw/zinc/88/40/96/1085884096.db2.gz UVELOKJGDCDJHO-LPHOPBHVSA-N -1 1 374.868 4.013 20 10 FICDMM Cc1ccccc1-c1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000729644202 1102852575 /nfs/dbraw/zinc/85/25/75/1102852575.db2.gz RYRPVWHZDNTMMU-QNGOZBTKSA-N -1 1 354.409 4.123 20 10 FICDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000303835539 1107771599 /nfs/dbraw/zinc/77/15/99/1107771599.db2.gz PJVCYIGBEHXTIM-UHFFFAOYSA-N -1 1 364.898 4.377 20 10 FICDMM O=C(CCc1ccc(Cl)s1)NCc1cccc(Br)c1[O-] ZINC000765764596 1121345741 /nfs/dbraw/zinc/34/57/41/1121345741.db2.gz MPSGYOZUWCRKNV-UHFFFAOYSA-N -1 1 374.687 4.119 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000728197970 1079946967 /nfs/dbraw/zinc/94/69/67/1079946967.db2.gz JXEGIPHTBOUCLJ-HXUWFJFHSA-N -1 1 374.440 4.061 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000728197970 1079946973 /nfs/dbraw/zinc/94/69/73/1079946973.db2.gz JXEGIPHTBOUCLJ-HXUWFJFHSA-N -1 1 374.440 4.061 20 10 FICDMM O=C1[N-]C(=S)S/C1=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000124778944 1085183232 /nfs/dbraw/zinc/18/32/32/1085183232.db2.gz XZEAWNIJCFSFDD-BJMVGYQFSA-N -1 1 372.418 4.318 20 10 FICDMM CC(C)Cn1cc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756856502 1086456629 /nfs/dbraw/zinc/45/66/29/1086456629.db2.gz RCCSEYOMSHYONG-JTQLQIEISA-N -1 1 356.239 4.319 20 10 FICDMM Cc1cc(CC(=O)Nc2cc([O-])c(F)cc2F)c(C)n1-c1ccccc1 ZINC001625896683 1090942809 /nfs/dbraw/zinc/94/28/09/1090942809.db2.gz QCKATFYWQJTARG-UHFFFAOYSA-N -1 1 356.372 4.259 20 10 FICDMM Cc1sc2nc(C)nc(SCC(=O)c3ccc([O-])c(O)c3)c2c1C ZINC000007832786 1101338575 /nfs/dbraw/zinc/33/85/75/1101338575.db2.gz ZGJUZTYYKQZTKK-UHFFFAOYSA-N -1 1 360.460 4.003 20 10 FICDMM C[C@H](N[C@@H](C)c1ncccc1F)c1cc(Br)cc(F)c1[O-] ZINC000528036394 1109890115 /nfs/dbraw/zinc/89/01/15/1109890115.db2.gz QXXFEKPYMSIQIY-IUCAKERBSA-N -1 1 357.198 4.240 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2ccccc2c1 ZINC000765766401 1121361918 /nfs/dbraw/zinc/36/19/18/1121361918.db2.gz WAGRHKAIOKZIPL-UHFFFAOYSA-N -1 1 356.219 4.238 20 10 FICDMM Cc1ccccc1[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765771249 1121612577 /nfs/dbraw/zinc/61/25/77/1121612577.db2.gz XEQJBGKLUAEQID-ZDUSSCGKSA-N -1 1 362.267 4.273 20 10 FICDMM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1[O-] ZINC000917500362 1122330866 /nfs/dbraw/zinc/33/08/66/1122330866.db2.gz AMQSSZDDKOELMS-IBGZPJMESA-N -1 1 368.820 4.430 20 10 FICDMM COc1cc(OC)c(CNCc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000101593521 1083021494 /nfs/dbraw/zinc/02/14/94/1083021494.db2.gz NYRYRKRUIOGXGE-UHFFFAOYSA-N -1 1 372.248 4.015 20 10 FICDMM CC(C)OC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708074747 1085210405 /nfs/dbraw/zinc/21/04/05/1085210405.db2.gz DNIVZYJIILTQRW-UHFFFAOYSA-N -1 1 362.695 4.198 20 10 FICDMM COCc1ccc([C@@H]2CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000137070968 1093776191 /nfs/dbraw/zinc/77/61/91/1093776191.db2.gz NRUYMHZKJDXLNO-AWEZNQCLSA-N -1 1 366.801 4.030 20 10 FICDMM Nc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1Cl ZINC001212119539 1103452570 /nfs/dbraw/zinc/45/25/70/1103452570.db2.gz UWKTUYRHSPWBKY-UHFFFAOYSA-N -1 1 364.788 4.147 20 10 FICDMM CC(C)(C)c1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765766201 1121376246 /nfs/dbraw/zinc/37/62/46/1121376246.db2.gz VSQYEZAAJUDCJG-UHFFFAOYSA-N -1 1 362.267 4.382 20 10 FICDMM Cc1oc2ccccc2c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765766873 1121432883 /nfs/dbraw/zinc/43/28/83/1121432883.db2.gz DGZXCXCRTQSNNP-UHFFFAOYSA-N -1 1 374.234 4.068 20 10 FICDMM CC[N@H+](CCC(F)(F)F)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728197228 1079947234 /nfs/dbraw/zinc/94/72/34/1079947234.db2.gz BFTLGCHZAMILBC-UHFFFAOYSA-N -1 1 367.367 4.103 20 10 FICDMM CC[N@@H+](CCC(F)(F)F)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728197228 1079947240 /nfs/dbraw/zinc/94/72/40/1079947240.db2.gz BFTLGCHZAMILBC-UHFFFAOYSA-N -1 1 367.367 4.103 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000892316451 1085884325 /nfs/dbraw/zinc/88/43/25/1085884325.db2.gz UVELOKJGDCDJHO-APWZRJJASA-N -1 1 374.868 4.013 20 10 FICDMM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC1(F)F ZINC001141367932 1086399614 /nfs/dbraw/zinc/39/96/14/1086399614.db2.gz XKIBEOUHRGYQNF-QMMMGPOBSA-N -1 1 354.622 4.285 20 10 FICDMM CC(C)Cn1cc(N[C@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756856504 1086457132 /nfs/dbraw/zinc/45/71/32/1086457132.db2.gz RCCSEYOMSHYONG-SNVBAGLBSA-N -1 1 356.239 4.319 20 10 FICDMM COc1cc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cc(OC)c1 ZINC000756866288 1086477715 /nfs/dbraw/zinc/47/77/15/1086477715.db2.gz ZFDKJBHQNTVGPT-VIFPVBQESA-N -1 1 370.218 4.484 20 10 FICDMM COc1cc(OC)c(NCc2cccc(Br)c2[O-])cc1Cl ZINC000048794741 1102810832 /nfs/dbraw/zinc/81/08/32/1102810832.db2.gz INOCLPOSXPNVCW-UHFFFAOYSA-N -1 1 372.646 4.437 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])C1(c2ccccc2)CCCC1 ZINC000765767947 1121470356 /nfs/dbraw/zinc/47/03/56/1121470356.db2.gz GPNZRVBRQPFRDH-UHFFFAOYSA-N -1 1 374.278 4.283 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](c1ccccc1)C1CCOCC1 ZINC000893040570 1089727857 /nfs/dbraw/zinc/72/78/57/1089727857.db2.gz GUPDULZUUNXQEY-SFHVURJKSA-N -1 1 374.868 4.013 20 10 FICDMM CCc1nc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])cs1 ZINC000756549539 1091001116 /nfs/dbraw/zinc/00/11/16/1091001116.db2.gz GKOXCWBVXNCZOH-QMMMGPOBSA-N -1 1 359.264 4.164 20 10 FICDMM C[C@@H](NCc1nc2c(s1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000927120302 1112141591 /nfs/dbraw/zinc/14/15/91/1112141591.db2.gz HZSMBOSJUIYELB-MRVPVSSYSA-N -1 1 359.278 4.079 20 10 FICDMM Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2cccc(Cl)c2[O-])NC1=O ZINC000917502471 1122331600 /nfs/dbraw/zinc/33/16/00/1122331600.db2.gz YGCYPQHLQLUAKK-OAHLLOKOSA-N -1 1 359.838 4.126 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000728195591 1079944421 /nfs/dbraw/zinc/94/44/21/1079944421.db2.gz FWNFPTCJCCUXEG-LJQANCHMSA-N -1 1 351.446 4.093 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2C2CCC2)c1[O-] ZINC000728195591 1079944424 /nfs/dbraw/zinc/94/44/24/1079944424.db2.gz FWNFPTCJCCUXEG-LJQANCHMSA-N -1 1 351.446 4.093 20 10 FICDMM O=C(NCCc1ccc(C2CCCCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC001648915619 1084688059 /nfs/dbraw/zinc/68/80/59/1084688059.db2.gz HPRWSIOAMWUXDK-UHFFFAOYSA-N -1 1 357.425 4.257 20 10 FICDMM O=C1c2ccccc2N[C@H](c2cccc(Cl)c2[O-])N1CC(F)(F)F ZINC000917500414 1122330818 /nfs/dbraw/zinc/33/08/18/1122330818.db2.gz BYINXJKOADOXGQ-AWEZNQCLSA-N -1 1 356.731 4.174 20 10 FICDMM Nc1ccc(Cl)cc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212437863 1124721942 /nfs/dbraw/zinc/72/19/42/1124721942.db2.gz UQDIFVRULVJHEH-UHFFFAOYSA-N -1 1 364.788 4.147 20 10 FICDMM O=C1/C(=C\c2cc(F)c([O-])c(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000175319260 1079933891 /nfs/dbraw/zinc/93/38/91/1079933891.db2.gz IMHCWGWNYAYCJG-NTUHNPAUSA-N -1 1 367.373 4.215 20 10 FICDMM CC(C)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)cc1 ZINC000066261181 1084245437 /nfs/dbraw/zinc/24/54/37/1084245437.db2.gz NAXXSMFCUPJPDU-UHFFFAOYSA-N -1 1 370.430 4.246 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000892316453 1085883554 /nfs/dbraw/zinc/88/35/54/1085883554.db2.gz UVELOKJGDCDJHO-QFBILLFUSA-N -1 1 374.868 4.013 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](c1ccccc1)C1CCOCC1 ZINC000893040468 1089727079 /nfs/dbraw/zinc/72/70/79/1089727079.db2.gz GUPDULZUUNXQEY-GOSISDBHSA-N -1 1 374.868 4.013 20 10 FICDMM O=C(/C=C/c1ccccc1Cl)NCc1cccc(Br)c1[O-] ZINC000765765165 1121315790 /nfs/dbraw/zinc/31/57/90/1121315790.db2.gz OSHLCOVVNDXAKM-CMDGGOBGSA-N -1 1 366.642 4.138 20 10 FICDMM Cc1cc2cc(C(=O)NCc3cccc(Br)c3[O-])oc2cc1C ZINC000765769565 1121587511 /nfs/dbraw/zinc/58/75/11/1121587511.db2.gz MRWACKGPTGBHIG-UHFFFAOYSA-N -1 1 374.234 4.448 20 10 FICDMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cccc(Br)c1[O-] ZINC000054683223 1122191345 /nfs/dbraw/zinc/19/13/45/1122191345.db2.gz KNJLFDCKXMEJSZ-AWEZNQCLSA-N -1 1 367.630 4.004 20 10 FICDMM O=c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ccn1C1CCC1 ZINC001168525565 1123992486 /nfs/dbraw/zinc/99/24/86/1123992486.db2.gz GGOOSYZGHBFDAY-UHFFFAOYSA-N -1 1 355.825 4.093 20 10 FICDMM CC(C)O[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708076230 1085209538 /nfs/dbraw/zinc/20/95/38/1085209538.db2.gz UNJCRRDBPBZWOP-CYBMUJFWSA-N -1 1 362.695 4.198 20 10 FICDMM [O-]c1c(Br)cc(Cl)cc1CN1CC(CC2CCOCC2)C1 ZINC001207349160 1086064496 /nfs/dbraw/zinc/06/44/96/1086064496.db2.gz ZMQLNFZNKZVEOW-UHFFFAOYSA-N -1 1 374.706 4.057 20 10 FICDMM CC(C)n1ncc2cc(NCc3cccc(Br)c3[O-])cnc21 ZINC000314987518 1086574213 /nfs/dbraw/zinc/57/42/13/1086574213.db2.gz PVBIKFMCDMDNLE-UHFFFAOYSA-N -1 1 361.243 4.092 20 10 FICDMM COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc(Cl)c1[O-] ZINC000023776838 1088580399 /nfs/dbraw/zinc/58/03/99/1088580399.db2.gz MTPUEKRCQSDDMW-DHDCSXOGSA-N -1 1 374.849 4.445 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1C(F)(F)F ZINC000765756241 1121071764 /nfs/dbraw/zinc/07/17/64/1121071764.db2.gz LNTBRFXKUHNUPQ-UHFFFAOYSA-N -1 1 374.156 4.104 20 10 FICDMM Cc1ccc(CCCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765758559 1121164129 /nfs/dbraw/zinc/16/41/29/1121164129.db2.gz ZAKBCDGSPWSRSG-UHFFFAOYSA-N -1 1 362.267 4.102 20 10 FICDMM Cn1c(=O)cc(NCc2cc(Cl)c3cccnc3c2[O-])c2ccccc21 ZINC001168525610 1124077217 /nfs/dbraw/zinc/07/72/17/1124077217.db2.gz HKVHLOZNVHCUNJ-UHFFFAOYSA-N -1 1 365.820 4.058 20 10 FICDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)c1[O-] ZINC000728196568 1079941982 /nfs/dbraw/zinc/94/19/82/1079941982.db2.gz UWVINGUAEPUUSX-FQEVSTJZSA-N -1 1 359.425 4.276 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H]2c2ccccc2)c1[O-] ZINC000728196568 1079941984 /nfs/dbraw/zinc/94/19/84/1079941984.db2.gz UWVINGUAEPUUSX-FQEVSTJZSA-N -1 1 359.425 4.276 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H]2c2ccccc2)c1[O-] ZINC000728196568 1079941986 /nfs/dbraw/zinc/94/19/86/1079941986.db2.gz UWVINGUAEPUUSX-FQEVSTJZSA-N -1 1 359.425 4.276 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000728195589 1079944819 /nfs/dbraw/zinc/94/48/19/1079944819.db2.gz FWNFPTCJCCUXEG-IBGZPJMESA-N -1 1 351.446 4.093 20 10 FICDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2C2CCC2)c1[O-] ZINC000728195589 1079944822 /nfs/dbraw/zinc/94/48/22/1079944822.db2.gz FWNFPTCJCCUXEG-IBGZPJMESA-N -1 1 351.446 4.093 20 10 FICDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000893823080 1092728293 /nfs/dbraw/zinc/72/82/93/1092728293.db2.gz URAYXBBQPJIBKO-KDOFPFPSSA-N -1 1 374.868 4.013 20 10 FICDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212007424 1099372514 /nfs/dbraw/zinc/37/25/14/1099372514.db2.gz CNWIIEFHDUVYLY-UHFFFAOYSA-N -1 1 351.308 4.189 20 10 FICDMM O=C(NCc1cccc(Br)c1[O-])c1csc2c1CCCC2 ZINC000765771265 1121612664 /nfs/dbraw/zinc/61/26/64/1121612664.db2.gz YGEOMPSYEXQFMZ-UHFFFAOYSA-N -1 1 366.280 4.025 20 10 FICDMM