smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000022044975 1081112285 /nfs/dbraw/zinc/11/22/85/1081112285.db2.gz JEIUBYBENRHCFQ-UHFFFAOYSA-N 0 1 353.293 4.263 50 10 FICAMN CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000022044975 1081112289 /nfs/dbraw/zinc/11/22/89/1081112289.db2.gz JEIUBYBENRHCFQ-UHFFFAOYSA-N 0 1 353.293 4.263 50 10 FICAMN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003377730 204096772 /nfs/dbraw/zinc/09/67/72/204096772.db2.gz ZQZXYEBVKQVDPD-UHFFFAOYSA-N 0 1 360.460 4.010 50 10 FICAMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000005947744 204232872 /nfs/dbraw/zinc/23/28/72/204232872.db2.gz BOYUQHUXWNNWSQ-LDADJPATSA-N 0 1 373.412 4.012 50 10 FICAMN CCCCCCN1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008973970 204350450 /nfs/dbraw/zinc/35/04/50/204350450.db2.gz ZDPRYNJCWZZJCW-VBKFSLOCSA-N 0 1 353.422 4.061 50 10 FICAMN CN(C)c1ccc(CN2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1 ZINC000065270427 205332901 /nfs/dbraw/zinc/33/29/01/205332901.db2.gz PPGMBRZBOAXGFF-UHFFFAOYSA-N 0 1 364.468 4.161 50 10 FICAMN CC(C)(C)OC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2O)CC1 ZINC000025759800 570999634 /nfs/dbraw/zinc/99/96/34/570999634.db2.gz WFSYGBQBDFJAIJ-HXUWFJFHSA-N 0 1 368.477 4.034 50 10 FICAMN CN(C)c1ccc(/C=C/CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004980746 571072823 /nfs/dbraw/zinc/07/28/23/571072823.db2.gz UCLMSDMQRMSBKB-SNAWJCMRSA-N 0 1 355.913 4.241 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000001072013 571144967 /nfs/dbraw/zinc/14/49/67/571144967.db2.gz DBRHOUVMVWFLEM-SFQUDFHCSA-N 0 1 364.788 4.061 50 10 FICAMN COc1ccc(CC[N@H+](C)Cc2c([O-])ccc3ccccc32)cc1OC ZINC000003371116 204095005 /nfs/dbraw/zinc/09/50/05/204095005.db2.gz OUXULLHIHLVVNG-UHFFFAOYSA-N 0 1 351.446 4.237 50 10 FICAMN COc1ccc(CC[N@@H+](C)Cc2c([O-])ccc3ccccc32)cc1OC ZINC000003371116 204095008 /nfs/dbraw/zinc/09/50/08/204095008.db2.gz OUXULLHIHLVVNG-UHFFFAOYSA-N 0 1 351.446 4.237 50 10 FICAMN CC(=O)c1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000006503519 204250719 /nfs/dbraw/zinc/25/07/19/204250719.db2.gz RKSDIWGGYKQFPK-UHFFFAOYSA-N 0 1 359.838 4.150 50 10 FICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100922875 570800655 /nfs/dbraw/zinc/80/06/55/570800655.db2.gz MOORQSLDDMPHRU-GDNBJRDFSA-N 0 1 370.796 4.275 50 10 FICAMN CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 ZINC000019362651 570887273 /nfs/dbraw/zinc/88/72/73/570887273.db2.gz RLJFTICUTYVZDG-GOSISDBHSA-N 0 1 356.560 4.404 50 10 world FICAMN CCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802289 570903312 /nfs/dbraw/zinc/90/33/12/570903312.db2.gz QAWPLLCAZZUCCZ-LJQANCHMSA-N 0 1 356.510 4.384 50 10 FICAMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(O)c(Cl)c1 ZINC000024207627 570973245 /nfs/dbraw/zinc/97/32/45/570973245.db2.gz XAVWDHFQCSTCQY-UHFFFAOYSA-N 0 1 358.869 4.308 50 10 FICAMN O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1 ZINC000028821265 571034576 /nfs/dbraw/zinc/03/45/76/571034576.db2.gz XOLMRFUGOINFDQ-YBEGLDIGSA-N 0 1 351.456 4.056 50 10 in-vitro FICAMN Cc1ccc(O)c(CN2CCc3nc[nH]c3[C@@H]2c2ccc3occc3c2)c1 ZINC000072148199 571173664 /nfs/dbraw/zinc/17/36/64/571173664.db2.gz FAGGCLVYDRLEIY-QFIPXVFZSA-N 0 1 359.429 4.318 50 10 FICAMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000170618140 571268437 /nfs/dbraw/zinc/26/84/37/571268437.db2.gz TXYALZNAXHNXPN-UHFFFAOYSA-N 0 1 371.845 4.372 50 10 FICAMN CCC(Nc1ccc(OC)cc1OC)=C1C(C)=NN(c2ccccc2)C1=O ZINC000004982752 204182557 /nfs/dbraw/zinc/18/25/57/204182557.db2.gz MKGLVNNJLQTJSJ-JZJYNLBNSA-N 0 1 365.433 4.203 50 10 FICAMN Cc1nc2cc(NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)ccc2[nH]1 ZINC000006300087 204243814 /nfs/dbraw/zinc/24/38/14/204243814.db2.gz KZNKNYYQDRCCPZ-YBEGLDIGSA-N 0 1 365.824 4.243 50 10 FICAMN Oc1ccccc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000055165813 205207714 /nfs/dbraw/zinc/20/77/14/205207714.db2.gz ZVBGSYBENTVYQI-UHFFFAOYSA-N 0 1 353.443 4.221 50 10 FICAMN CN(Cc1ccccc1)Cc1c(O)ccc2oc(-c3ccco3)cc(=O)c21 ZINC000004387305 206174925 /nfs/dbraw/zinc/17/49/25/206174925.db2.gz KXWMQSOQPUQDRO-UHFFFAOYSA-N 0 1 361.397 4.391 50 10 FICAMN COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000058158258 206392859 /nfs/dbraw/zinc/39/28/59/206392859.db2.gz WNDYAYSGNRZTKA-GFCCVEGCSA-N 0 1 350.256 4.323 50 10 FICAMN CN(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055543876 136127035 /nfs/dbraw/zinc/12/70/35/136127035.db2.gz LEBYIRXAXHLNAZ-UHFFFAOYSA-N 0 1 363.427 4.094 50 10 FICAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000001175127 570488114 /nfs/dbraw/zinc/48/81/14/570488114.db2.gz WURBBPCVWCWEIH-WOJGMQOQSA-N 0 1 365.433 4.149 50 10 FICAMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000014254164 570816911 /nfs/dbraw/zinc/81/69/11/570816911.db2.gz CLMIBXSRBIFLLK-UHFFFAOYSA-N 0 1 359.429 4.461 50 10 FICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000101346588 570819391 /nfs/dbraw/zinc/81/93/91/570819391.db2.gz GTFCHLYSHSBTGU-GDNBJRDFSA-N 0 1 370.796 4.275 50 10 FICAMN CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccc(O)cc1S2 ZINC000022865462 570945219 /nfs/dbraw/zinc/94/52/19/570945219.db2.gz LFESIFMFSVSVLR-GOSISDBHSA-N 0 1 372.559 4.110 50 10 FICAMN O=C1NC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1 ZINC000001277880 203998428 /nfs/dbraw/zinc/99/84/28/203998428.db2.gz OIMMVQODRBOBEN-UHFFFAOYSA-N 0 1 364.835 4.142 50 10 FICAMN CCN(CC)c1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004980779 204181864 /nfs/dbraw/zinc/18/18/64/204181864.db2.gz MPTZXKXMHRFMIX-UHFFFAOYSA-N 0 1 354.494 4.108 50 10 FICAMN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000002940858 206157658 /nfs/dbraw/zinc/15/76/58/206157658.db2.gz QUXNTLCQMWQBGC-UHFFFAOYSA-N 0 1 366.461 4.191 50 10 FICAMN CSc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001268587 132381510 /nfs/dbraw/zinc/38/15/10/132381510.db2.gz GNCMZNVHBFEIIX-JLHYYAGUSA-N 0 1 372.446 4.219 50 10 FICAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100044376 570485108 /nfs/dbraw/zinc/48/51/08/570485108.db2.gz UUYMATCIACNZEX-XNTDXEJSSA-N 0 1 370.796 4.275 50 10 FICAMN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[N@H+]1CCCC[C@H]1CO ZINC000011982333 570713581 /nfs/dbraw/zinc/71/35/81/570713581.db2.gz VNMHNPGWSNREHO-INIZCTEOSA-N 0 1 354.475 4.016 50 10 FICAMN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[N@@H+]1CCCC[C@H]1CO ZINC000011982333 570713582 /nfs/dbraw/zinc/71/35/82/570713582.db2.gz VNMHNPGWSNREHO-INIZCTEOSA-N 0 1 354.475 4.016 50 10 FICAMN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[N@H+]1CCCC[C@@H]1CO ZINC000011982334 570713628 /nfs/dbraw/zinc/71/36/28/570713628.db2.gz VNMHNPGWSNREHO-MRXNPFEDSA-N 0 1 354.475 4.016 50 10 FICAMN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000011982334 570713629 /nfs/dbraw/zinc/71/36/29/570713629.db2.gz VNMHNPGWSNREHO-MRXNPFEDSA-N 0 1 354.475 4.016 50 10 FICAMN CCCC[N@@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000019634509 570896232 /nfs/dbraw/zinc/89/62/32/570896232.db2.gz QWYNTJLPUSFKMB-UHFFFAOYSA-N 0 1 351.082 4.149 50 10 FICAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCCC4)C1 ZINC000019912152 570906270 /nfs/dbraw/zinc/90/62/70/570906270.db2.gz UUEGAQAXSCEANP-GFCCVEGCSA-N 0 1 361.869 4.263 50 10 FICAMN Cc1cc(C(=O)CSc2nc(C3CC3)n[nH]2)c(C)n1-c1ccccc1 ZINC000011275385 571220315 /nfs/dbraw/zinc/22/03/15/571220315.db2.gz MXOOJOQDWIRJLO-UHFFFAOYSA-N 0 1 352.463 4.065 50 10 FICAMN Cc1cc(C(=O)CSc2n[nH]c(C3CC3)n2)c(C)n1-c1ccccc1 ZINC000011275385 571220317 /nfs/dbraw/zinc/22/03/17/571220317.db2.gz MXOOJOQDWIRJLO-UHFFFAOYSA-N 0 1 352.463 4.065 50 10 FICAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccccc1O ZINC000000819087 568296912 /nfs/dbraw/zinc/29/69/12/568296912.db2.gz YVIVXUHTHBRSKQ-UHFFFAOYSA-N 0 1 358.239 4.167 50 10 FICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100031292 570483039 /nfs/dbraw/zinc/48/30/39/570483039.db2.gz YQFUFYAAGTVVII-XNTDXEJSSA-N 0 1 370.796 4.275 50 10 FICAMN CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccc(O)cc1S2 ZINC000022865489 570945205 /nfs/dbraw/zinc/94/52/05/570945205.db2.gz LFESIFMFSVSVLR-SFHVURJKSA-N 0 1 372.559 4.110 50 10 FICAMN CC(C)c1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)on1 ZINC000006907235 571254133 /nfs/dbraw/zinc/25/41/33/571254133.db2.gz MGGYFOVCRBNBTK-UHFFFAOYSA-N 0 1 350.831 4.059 50 10 FICAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCC1 ZINC000005182598 204195645 /nfs/dbraw/zinc/19/56/45/204195645.db2.gz GGVZXUCRTPGXMI-AWEZNQCLSA-N 0 1 370.493 4.351 50 10 FICAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCC1 ZINC000005182598 204195651 /nfs/dbraw/zinc/19/56/51/204195651.db2.gz GGVZXUCRTPGXMI-AWEZNQCLSA-N 0 1 370.493 4.351 50 10 FICAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCC3)c2c1C(=O)NC1CCCC1 ZINC000005182508 204196192 /nfs/dbraw/zinc/19/61/92/204196192.db2.gz BXRZVANGNYJYAM-UHFFFAOYSA-N 0 1 356.466 4.105 50 10 FICAMN O=C1C(=CNc2ccccc2)C(Nc2ccccc2)=NN1c1ccccc1 ZINC000006816354 204273972 /nfs/dbraw/zinc/27/39/72/204273972.db2.gz NJYVFQXZZAJUNJ-SILNSSARSA-N 0 1 354.413 4.455 50 10 FICAMN CCOc1ccccc1N1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000055292154 136126379 /nfs/dbraw/zinc/12/63/79/136126379.db2.gz GCMRIIIOEDXKIO-UHFFFAOYSA-N 0 1 367.537 4.254 50 10 FICAMN Cc1ccsc1C=C1C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000033286673 571230053 /nfs/dbraw/zinc/23/00/53/571230053.db2.gz HOTIQEVENVZZOO-ZROIWOOFSA-N 0 1 356.472 4.345 50 10 FICAMN Cc1cccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)NC2=S)c1 ZINC000034234578 1125268518 /nfs/dbraw/zinc/26/85/18/1125268518.db2.gz WISGVMVZTXSKOA-YBEGLDIGSA-N 0 1 361.426 4.148 50 10 FICAMN COc1cccc(-c2ccc([O-])c(C[NH2+]CCc3ccccc3Cl)c2)n1 ZINC000299772700 203762106 /nfs/dbraw/zinc/76/21/06/203762106.db2.gz ANRBTKJFXUFDNM-UHFFFAOYSA-N 0 1 368.864 4.449 50 10 FICAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004109189 204122261 /nfs/dbraw/zinc/12/22/61/204122261.db2.gz JQJYTJFBEJJJDU-GOSISDBHSA-N 0 1 370.522 4.010 50 10 FICAMN Cc1c(C=C2C(=O)NC(=O)NC2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000008741184 204342724 /nfs/dbraw/zinc/34/27/24/204342724.db2.gz JXOLYCLABYTQMN-UHFFFAOYSA-N 0 1 371.396 4.042 50 10 FICAMN Oc1ccc2c3nc4n[nH]cc4c(-c4ccc5ncccc5c4)c3oc2c1O ZINC000218247198 206369375 /nfs/dbraw/zinc/36/93/75/206369375.db2.gz SVVMBKKVHNCPDW-UHFFFAOYSA-N 0 1 368.352 4.484 50 10 FICAMN Cc1ccsc1C=C1C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000096476666 132225332 /nfs/dbraw/zinc/22/53/32/132225332.db2.gz XCJZJTNOYYEQFW-LCYFTJDESA-N 0 1 356.472 4.345 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000033298382 568484959 /nfs/dbraw/zinc/48/49/59/568484959.db2.gz DBRHOUVMVWFLEM-ATVHPVEESA-N 0 1 364.788 4.061 50 10 FICAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000100502266 570504749 /nfs/dbraw/zinc/50/47/49/570504749.db2.gz OXQGKUBXWSZDRY-YBEGLDIGSA-N 0 1 370.796 4.275 50 10 FICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000100502266 570504754 /nfs/dbraw/zinc/50/47/54/570504754.db2.gz OXQGKUBXWSZDRY-YBEGLDIGSA-N 0 1 370.796 4.275 50 10 FICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1F ZINC000044827003 570900004 /nfs/dbraw/zinc/90/00/04/570900004.db2.gz HIALCZFZWWLQHC-UVTDQMKNSA-N 0 1 374.213 4.307 50 10 FICAMN Cc1noc(C)c1[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000021720200 570933343 /nfs/dbraw/zinc/93/33/43/570933343.db2.gz AKDDFPNKKLVULS-CQSZACIVSA-N 0 1 351.244 4.097 50 10 FICAMN CCc1cccc2c(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c[nH]c21 ZINC000033922920 1087606890 /nfs/dbraw/zinc/60/68/90/1087606890.db2.gz OYJBAYNNOVCJJM-WOJGMQOQSA-N 0 1 373.412 4.233 50 10 FICAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000001185876 219386604 /nfs/dbraw/zinc/38/66/04/219386604.db2.gz RPXVYVLXKDYYER-ATVHPVEESA-N 0 1 364.788 4.061 50 10 FICAMN CCc1sc(NS(=O)(=O)c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000006316318 204244965 /nfs/dbraw/zinc/24/49/65/204244965.db2.gz WDFSLSSMBOVMES-UHFFFAOYSA-N 0 1 374.487 4.182 50 10 FICAMN Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2cccc(F)c2)C1 ZINC000012321825 568161036 /nfs/dbraw/zinc/16/10/36/568161036.db2.gz NMQZNCYOTLTMFN-HNNXBMFYSA-N 0 1 366.392 4.002 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)c(Oc2ccccc2)c1 ZINC000000683607 570450187 /nfs/dbraw/zinc/45/01/87/570450187.db2.gz CHRWDRNRRWEKGF-QGOAFFKASA-N 0 1 374.371 4.079 50 10 FICAMN CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012078920 570717088 /nfs/dbraw/zinc/71/70/88/570717088.db2.gz DKDBRQAEHVSRBV-IBGZPJMESA-N 0 1 357.425 4.116 50 10 FICAMN COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1C ZINC000012759140 570759992 /nfs/dbraw/zinc/75/99/92/570759992.db2.gz CRUJRDAYYBTVOD-SFHVURJKSA-N 0 1 353.462 4.113 50 10 FICAMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000018043503 570874678 /nfs/dbraw/zinc/87/46/78/570874678.db2.gz LDQLSUHARPCHJF-UHFFFAOYSA-N 0 1 371.845 4.372 50 10 FICAMN CCOc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802295 570903386 /nfs/dbraw/zinc/90/33/86/570903386.db2.gz JLIBHWZRKUAMOT-LJQANCHMSA-N 0 1 372.509 4.220 50 10 FICAMN Oc1cc2c(cc1CN1CCc3sccc3[C@@H]1c1cccs1)OCO2 ZINC000023855514 570968477 /nfs/dbraw/zinc/96/84/77/570968477.db2.gz VHCAVKGBYQWCOO-LJQANCHMSA-N 0 1 371.483 4.392 50 10 FICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1 ZINC000033334667 571235972 /nfs/dbraw/zinc/23/59/72/571235972.db2.gz NIBGIMGUGKGCIU-QSJINSDNSA-N 0 1 352.390 4.054 50 10 FICAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000017027620 570864979 /nfs/dbraw/zinc/86/49/79/570864979.db2.gz FQMDECHUGXFJEX-XDHOZWIPSA-N 0 1 374.371 4.481 50 10 FICAMN Cc1noc(C)c1[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000021720198 570933323 /nfs/dbraw/zinc/93/33/23/570933323.db2.gz AKDDFPNKKLVULS-AWEZNQCLSA-N 0 1 351.244 4.097 50 10 FICAMN Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1[O-] ZINC000100499923 209214442 /nfs/dbraw/zinc/21/44/42/209214442.db2.gz KZNAGJJLGIUXCZ-YBEGLDIGSA-N 0 1 355.825 4.381 50 10 FICAMN 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CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000004982676 570571991 /nfs/dbraw/zinc/57/19/91/570571991.db2.gz OXQGKUBXWSZDRY-MHWRWJLKSA-N 0 1 370.796 4.275 50 10 FICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000004982676 570571993 /nfs/dbraw/zinc/57/19/93/570571993.db2.gz OXQGKUBXWSZDRY-MHWRWJLKSA-N 0 1 370.796 4.275 50 10 FICAMN Oc1cc2c(cc1CN1CCc3sccc3[C@H]1c1ccccc1)OCO2 ZINC000024527512 570977053 /nfs/dbraw/zinc/97/70/53/570977053.db2.gz CTTJNMORWXQSSX-OAQYLSRUSA-N 0 1 365.454 4.330 50 10 FICAMN COc1ccc(N=CC2C(C)=NN(c3ccccc3)C2=S)c([N+](=O)[O-])c1 ZINC000004719839 571168244 /nfs/dbraw/zinc/16/82/44/571168244.db2.gz CRTAVHIBRPEUQQ-PTNGSMBKSA-N 0 1 368.418 4.123 50 10 FICAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000013575713 220075842 /nfs/dbraw/zinc/07/58/42/220075842.db2.gz PRDWOOKTOZLGDD-AQTBWJFISA-N 0 1 372.428 4.001 50 10 FICAMN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccccc1O)CCO2 ZINC000067867411 221296844 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COc1ccc([N+](=O)[O-])cc1NC=C1C(C)=NN(c2ccccc2)C1=S ZINC000013590188 211042332 /nfs/dbraw/zinc/04/23/32/211042332.db2.gz FDRXODQFYSDOMG-PTNGSMBKSA-N 0 1 368.418 4.123 50 10 FICAMN Oc1ccc2c3nc4n[nH]cc4c(-c4cc(F)c(F)c(F)c4)c3oc2c1O ZINC000218127001 568218004 /nfs/dbraw/zinc/21/80/04/568218004.db2.gz FTMDLEOIMHTMHP-UHFFFAOYSA-N 0 1 371.274 4.353 50 10 FICAMN Cc1oc2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCC1 ZINC000005182600 570630109 /nfs/dbraw/zinc/63/01/09/570630109.db2.gz GGVZXUCRTPGXMI-CQSZACIVSA-N 0 1 370.493 4.351 50 10 FICAMN Cc1oc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)NC1CCCC1 ZINC000005182600 570630112 /nfs/dbraw/zinc/63/01/12/570630112.db2.gz GGVZXUCRTPGXMI-CQSZACIVSA-N 0 1 370.493 4.351 50 10 FICAMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CO)(CCc2ccccc2)CC1 ZINC000012302150 570733780 /nfs/dbraw/zinc/73/37/80/570733780.db2.gz XXOUKAQMQKDUCV-UHFFFAOYSA-N 0 1 359.897 4.253 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(F)c(Oc2ccccc2)c1 ZINC000012492326 220000939 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Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1C ZINC000004579451 570848128 /nfs/dbraw/zinc/84/81/28/570848128.db2.gz JRYYIEYLVMEOJA-NVNXTCNLSA-N 0 1 361.228 4.072 50 10 FICAMN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(C(C)C)c(C)cc1O ZINC000008983335 571088643 /nfs/dbraw/zinc/08/86/43/571088643.db2.gz JWRNQTDOWRRQCP-UHFFFAOYSA-N 0 1 372.484 4.101 50 10 FICAMN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(C(C)C)c(C)cc1O ZINC000008983335 571088645 /nfs/dbraw/zinc/08/86/45/571088645.db2.gz JWRNQTDOWRRQCP-UHFFFAOYSA-N 0 1 372.484 4.101 50 10 FICAMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc21 ZINC000007317459 571264286 /nfs/dbraw/zinc/26/42/86/571264286.db2.gz XRQYKHCTVAQOMX-UHFFFAOYSA-N 0 1 362.473 4.014 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000013897078 211063230 /nfs/dbraw/zinc/06/32/30/211063230.db2.gz IJEIOYCUDMECBQ-FOWTUZBSSA-N 0 1 364.788 4.061 50 10 FICAMN COc1cccc(O)c1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000067788878 221285793 /nfs/dbraw/zinc/28/57/93/221285793.db2.gz ATLOZORZXMPBBS-UHFFFAOYSA-N 0 1 369.852 4.003 50 10 FICAMN Cc1oc2ccc([O-])c(C[NH+]3CCCCCC3)c2c1C(=O)NC1CCCC1 ZINC000005182719 570629887 /nfs/dbraw/zinc/62/98/87/570629887.db2.gz ZWJGNJBSNCMSQE-UHFFFAOYSA-N 0 1 370.493 4.495 50 10 FICAMN Cc1nc2cc(NC=C3C(C)=NN(c4ccc(C)cc4C)C3=O)ccc2[nH]1 ZINC000105486187 570872788 /nfs/dbraw/zinc/87/27/88/570872788.db2.gz LCPPOJRYYICCIE-BOPFTXTBSA-N 0 1 359.433 4.207 50 10 FICAMN CC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2O)CC1 ZINC000025759796 570999654 /nfs/dbraw/zinc/99/96/54/570999654.db2.gz WFSYGBQBDFJAIJ-FQEVSTJZSA-N 0 1 368.477 4.034 50 10 FICAMN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)c1 ZINC000036347322 571248541 /nfs/dbraw/zinc/24/85/41/571248541.db2.gz XNEGLLIINOFOBU-NRFANRHFSA-N 0 1 363.417 4.097 50 10 FICAMN CCc1onc(C)c1[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000021720848 220364794 /nfs/dbraw/zinc/36/47/94/220364794.db2.gz YDUIBDIZSJQILL-CQSZACIVSA-N 0 1 365.271 4.351 50 10 FICAMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065376463 221206621 /nfs/dbraw/zinc/20/66/21/221206621.db2.gz YSLGDHLGTDUAFF-PZJWPPBQSA-N 0 1 351.421 4.035 50 10 FICAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccccc2)C1)CCCC3 ZINC000012322174 568156355 /nfs/dbraw/zinc/15/63/55/568156355.db2.gz LLZZTEKIOYKZFM-KRWDZBQOSA-N 0 1 374.440 4.125 50 10 FICAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(SC2CCCCC2)o1 ZINC000005025766 570576244 /nfs/dbraw/zinc/57/62/44/570576244.db2.gz BXJZMKFEFQJTOV-GHRIWEEISA-N 0 1 368.458 4.166 50 10 FICAMN [O-]c1ccc(-c2cnccn2)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000012134813 570720633 /nfs/dbraw/zinc/72/06/33/570720633.db2.gz RSNJNYDFUIGQNA-UHFFFAOYSA-N 0 1 361.420 4.278 50 10 FICAMN [O-]c1ccc(-c2cnccn2)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000012134813 570720636 /nfs/dbraw/zinc/72/06/36/570720636.db2.gz RSNJNYDFUIGQNA-UHFFFAOYSA-N 0 1 361.420 4.278 50 10 FICAMN [O-]c1c(C[NH+]2CCN(c3ccccc3O)CC2)cc(Cl)c2ccccc12 ZINC000015250741 570836426 /nfs/dbraw/zinc/83/64/26/570836426.db2.gz VBBHFYJJZZVBSP-UHFFFAOYSA-N 0 1 368.864 4.227 50 10 FICAMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000016671945 220191262 /nfs/dbraw/zinc/19/12/62/220191262.db2.gz MJWKPVYFGAPWAW-WOJGMQOQSA-N 0 1 364.405 4.239 50 10 FICAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000016671945 220191264 /nfs/dbraw/zinc/19/12/64/220191264.db2.gz MJWKPVYFGAPWAW-WOJGMQOQSA-N 0 1 364.405 4.239 50 10 FICAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000001175117 570488185 /nfs/dbraw/zinc/48/81/85/570488185.db2.gz YPKPNKHFHNAMLB-XDHOZWIPSA-N 0 1 373.412 4.179 50 10 FICAMN CCc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000006316314 570645490 /nfs/dbraw/zinc/64/54/90/570645490.db2.gz HAKMEAGFXJQBOZ-UHFFFAOYSA-N 0 1 358.488 4.482 50 10 FICAMN Cc1oc2ccc([O-])c(C[NH+]3CCCC3)c2c1C(=O)NC1CCCCC1 ZINC000006811151 570654879 /nfs/dbraw/zinc/65/48/79/570654879.db2.gz WHQVYPPPTVSKSI-UHFFFAOYSA-N 0 1 356.466 4.105 50 10 FICAMN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000016309487 571161130 /nfs/dbraw/zinc/16/11/30/571161130.db2.gz INBUFJJNLBDPLT-WJDWOHSUSA-N 0 1 361.426 4.148 50 10 FICAMN CCc1cc2c(C)cc(=O)oc2c(C[N@@H+](C)Cc2ccc(F)cc2)c1[O-] ZINC000007141677 571262514 /nfs/dbraw/zinc/26/25/14/571262514.db2.gz MGNIJWJWLGUNQR-UHFFFAOYSA-N 0 1 355.409 4.141 50 10 FICAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004109188 571355383 /nfs/dbraw/zinc/35/53/83/571355383.db2.gz JQJYTJFBEJJJDU-SFHVURJKSA-N 0 1 370.522 4.010 50 10 FICAMN Cc1ccc(N2NC(=O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1C ZINC000005942606 570638924 /nfs/dbraw/zinc/63/89/24/570638924.db2.gz SNLSNFRKOXXBQB-ZROIWOOFSA-N 0 1 361.228 4.072 50 10 FICAMN CC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(N2CCOCC2)cc1 ZINC000013466751 570778029 /nfs/dbraw/zinc/77/80/29/570778029.db2.gz NZTHPWCZWGUMLZ-QURGRASLSA-N 0 1 363.421 4.138 50 10 FICAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100962128 570801315 /nfs/dbraw/zinc/80/13/15/570801315.db2.gz GTGMMBHRLFZLDV-GXDHUFHOSA-N 0 1 370.796 4.275 50 10 FICAMN CN(C)c1ccc([C@H]2NC[C@@H](COc3cc(Cl)ccc3Cl)O2)cc1 ZINC000034803491 571074554 /nfs/dbraw/zinc/07/45/54/571074554.db2.gz BZWGDJNCFMUGBZ-YJBOKZPZSA-N 0 1 367.276 4.125 50 10 FICAMN CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1 ZINC000004678860 571158468 /nfs/dbraw/zinc/15/84/68/571158468.db2.gz ZWJOUFVEYOYGER-UHFFFAOYSA-N 0 1 357.841 4.457 50 10 FICAMN CCOC(=O)c1c2c(ccc([O-])c2C[NH+](C)C)n(CC)c1-c1ccccc1 ZINC000075283973 571159631 /nfs/dbraw/zinc/15/96/31/571159631.db2.gz HEAJGOBWPCDSIK-UHFFFAOYSA-N 0 1 366.461 4.272 50 10 FICAMN Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000012391019 219988730 /nfs/dbraw/zinc/98/87/30/219988730.db2.gz DNIDQDPWWHGYJG-CQSZACIVSA-N 0 1 368.820 4.208 50 10 FICAMN C[N@H+](Cc1ccc(Br)cc1)Cc1c([O-])ccc2ccncc21 ZINC000014202059 220117124 /nfs/dbraw/zinc/11/71/24/220117124.db2.gz CKEDNFLEFPFMCU-UHFFFAOYSA-N 0 1 357.251 4.335 50 10 FICAMN 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