smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000182514208 1125544217 /nfs/dbraw/zinc/54/42/17/1125544217.db2.gz SVFWRRVBQIBMGK-UHFFFAOYSA-N 0 0 373.330 4.112 20 10 FICDRN CCc1cncc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)c1 ZINC001128385362 1125558387 /nfs/dbraw/zinc/55/83/87/1125558387.db2.gz VNMQIWMSPBEXEI-OAHLLOKOSA-N 0 0 371.912 4.464 20 10 FICDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC000763562150 1125560218 /nfs/dbraw/zinc/56/02/18/1125560218.db2.gz AGRWVIDFMPVOLX-ZDUSSCGKSA-N 0 0 374.868 4.146 20 10 FICDRN O=C1CCCCN1CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000182691029 1125599291 /nfs/dbraw/zinc/59/92/91/1125599291.db2.gz DELUVNVVDKKNHV-UHFFFAOYSA-N 0 0 367.474 4.254 20 10 FICDRN Cc1cc(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1N(C)C ZINC000182852401 1125656267 /nfs/dbraw/zinc/65/62/67/1125656267.db2.gz NBVGOQCERGAVAW-MRXNPFEDSA-N 0 0 357.473 4.210 20 10 FICDRN C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183074037 1125736035 /nfs/dbraw/zinc/73/60/35/1125736035.db2.gz PMHGNAIARVICRY-OAHLLOKOSA-N 0 0 356.441 4.160 20 10 FICDRN Cc1cc(CCNC(=O)[C@@H]2CCOc3ccccc32)c(C)n1-c1ccccc1 ZINC000728187385 1079753308 /nfs/dbraw/zinc/75/33/08/1079753308.db2.gz HHSAYCZRYMQYJO-JOCHJYFZSA-N 0 0 374.484 4.319 20 10 FICDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2(C)CCCCC2)CCCC1 ZINC001125290935 1079936365 /nfs/dbraw/zinc/93/63/65/1079936365.db2.gz WBGVACWRVKJNCI-UHFFFAOYSA-N 0 0 354.494 4.368 20 10 FICDRN C[N@H+](Cc1ccc(F)cc1)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196418 1079945318 /nfs/dbraw/zinc/94/53/18/1079945318.db2.gz YDOYKAHOANTFLI-UHFFFAOYSA-N 0 0 365.404 4.100 20 10 FICDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC001625797923 1079948075 /nfs/dbraw/zinc/94/80/75/1079948075.db2.gz OZJZZUOBGLWZAD-GOSISDBHSA-N 0 0 368.521 4.379 20 10 FICDRN Cc1ccc(Cl)c(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000120649692 1080359664 /nfs/dbraw/zinc/35/96/64/1080359664.db2.gz KOETYSHIXYJRMS-HNNXBMFYSA-N 0 0 373.884 4.368 20 10 FICDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1coc2cc(F)ccc12 ZINC000471221993 1080384544 /nfs/dbraw/zinc/38/45/44/1080384544.db2.gz ZEXVXBFLAMONIR-UHFFFAOYSA-N 0 0 350.393 4.231 20 10 FICDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000471229033 1080428997 /nfs/dbraw/zinc/42/89/97/1080428997.db2.gz ZIJDZQHYNPECRF-HZPDHXFCSA-N 0 0 354.400 4.185 20 10 FICDRN COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)cc1OC(F)F ZINC000471234261 1080461290 /nfs/dbraw/zinc/46/12/90/1080461290.db2.gz ICDVQXWQKWSCRE-UHFFFAOYSA-N 0 0 374.387 4.027 20 10 FICDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)ccc21 ZINC001625851754 1080643071 /nfs/dbraw/zinc/64/30/71/1080643071.db2.gz FSBHCRIGNDUQEX-VQTJNVASSA-N 0 0 352.453 4.018 20 10 FICDRN Cc1cc(CC(=O)Nc2ccc(OC(C)C)nc2)c(C)n1-c1ccccc1 ZINC001125326066 1080814020 /nfs/dbraw/zinc/81/40/20/1080814020.db2.gz GAPFFPFVLUACMQ-UHFFFAOYSA-N 0 0 363.461 4.458 20 10 FICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007210834 1080871291 /nfs/dbraw/zinc/87/12/91/1080871291.db2.gz QCZHIJUBJQOBAV-AEFFLSMTSA-N 0 0 369.534 4.360 20 10 FICDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000007210850 1080871320 /nfs/dbraw/zinc/87/13/20/1080871320.db2.gz QCZHIJUBJQOBAV-FUHWJXTLSA-N 0 0 369.534 4.360 20 10 FICDRN COc1ccc(Nc2cccc(NC(=O)c3cccc(O)c3O)c2)cc1 ZINC001167256843 1080915710 /nfs/dbraw/zinc/91/57/10/1080915710.db2.gz DVLJGPRNIPZPKR-UHFFFAOYSA-N 0 0 350.374 4.102 20 10 FICDRN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCc1ccccn1 ZINC000255058758 1081045966 /nfs/dbraw/zinc/04/59/66/1081045966.db2.gz BRGDTXLJPDQDJD-PTNGSMBKSA-N 0 0 360.891 4.179 20 10 FICDRN CC[C@@H](CSC)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255072016 1081094261 /nfs/dbraw/zinc/09/42/61/1081094261.db2.gz HSNSCIOGPFSUKS-AWEZNQCLSA-N 0 0 370.478 4.298 20 10 FICDRN CSC[C@@](C)(O)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255087334 1081137327 /nfs/dbraw/zinc/13/73/27/1081137327.db2.gz VBNGTYGMEGFKLH-SFHVURJKSA-N 0 0 358.467 4.338 20 10 FICDRN C[C@H](O)C[C@H](C)CNC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255104181 1081183495 /nfs/dbraw/zinc/18/34/95/1081183495.db2.gz NYVMMNQUNWVDJF-HOTGVXAUSA-N 0 0 368.481 4.305 20 10 FICDRN COc1cc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc(OC)c1OC ZINC001648814377 1081217848 /nfs/dbraw/zinc/21/78/48/1081217848.db2.gz KIICLSZMXHWJTE-JTQLQIEISA-N 0 0 369.820 4.061 20 10 FICDRN C[C@@H](NC(=O)c1ccc(Cl)cc1Br)c1ccccc1O ZINC001648889639 1081344560 /nfs/dbraw/zinc/34/45/60/1081344560.db2.gz GBNAKODPTUIJFI-SECBINFHSA-N 0 0 354.631 4.299 20 10 FICDRN C[C@H](NC(=O)c1ccc(F)c(NC(=O)OC(C)(C)C)c1)c1ccccc1O ZINC001648892306 1081355083 /nfs/dbraw/zinc/35/50/83/1081355083.db2.gz VFJDMIWZMWTKMH-LBPRGKRZSA-N 0 0 374.412 4.369 20 10 FICDRN O=C1/C(=C/c2coc3ccccc23)SC(=S)N1CCc1cccnc1 ZINC000160321776 1081377946 /nfs/dbraw/zinc/37/79/46/1081377946.db2.gz GBSMDQCOAXDXQH-YVLHZVERSA-N 0 0 366.467 4.272 20 10 FICDRN COc1ccc2c(c1)CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC001167325549 1081405658 /nfs/dbraw/zinc/40/56/58/1081405658.db2.gz CZJSUKYMGZVGAN-UHFFFAOYSA-N 0 0 359.853 4.205 20 10 FICDRN COC(=O)CCCCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000275736620 1081514221 /nfs/dbraw/zinc/51/42/21/1081514221.db2.gz SXHPKRSPIQPJQH-QGZVFWFLSA-N 0 0 369.461 4.215 20 10 FICDRN CCn1c(C)cc(/C=C2/NC(=S)N(Cc3ccccc3Cl)C2=O)c1C ZINC000728287150 1081739113 /nfs/dbraw/zinc/73/91/13/1081739113.db2.gz PEIBZINMQHRHRT-LICLKQGHSA-N 0 0 373.909 4.036 20 10 FICDRN C[C@@H](NC(=O)Nc1cnc(-c2ccc(Cl)s2)nc1)c1ccccc1O ZINC001625867655 1082055959 /nfs/dbraw/zinc/05/59/59/1082055959.db2.gz SECDKPKCLACAQC-SNVBAGLBSA-N 0 0 374.853 4.447 20 10 FICDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1OC(F)(F)F ZINC001125468433 1082099996 /nfs/dbraw/zinc/09/99/96/1082099996.db2.gz CYGVIVDGOGUUBR-UHFFFAOYSA-N 0 0 370.346 4.029 20 10 FICDRN Cc1cc(C(=O)Nc2cnc3nccn3c2)c(C)n1-c1cccc(Cl)c1 ZINC001167436443 1082176144 /nfs/dbraw/zinc/17/61/44/1082176144.db2.gz NMDVPFDXSQOGND-UHFFFAOYSA-N 0 0 365.824 4.043 20 10 FICDRN Cc1cnc(F)c(Nc2ccc(OCCOc3ccc(N)cc3)cc2)c1 ZINC001211508406 1082306646 /nfs/dbraw/zinc/30/66/46/1082306646.db2.gz OFVFNJWOVFJGTE-UHFFFAOYSA-N 0 0 353.397 4.313 20 10 FICDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-c2cccnc2)cc1 ZINC000588405125 1082423208 /nfs/dbraw/zinc/42/32/08/1082423208.db2.gz JMWSAZHNMFTFNW-NVWZYQMFSA-N 0 0 360.413 4.050 20 10 FICDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000588405009 1082425711 /nfs/dbraw/zinc/42/57/11/1082425711.db2.gz FSUVQMVCBZBAKC-YWEYNIOJSA-N 0 0 358.825 4.003 20 10 FICDRN C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)o1 ZINC000255388194 1083046442 /nfs/dbraw/zinc/04/64/42/1083046442.db2.gz HCVUGDBGCLBJGP-OSMMRYEZSA-N 0 0 370.499 4.242 20 10 FICDRN CC1(C)CCCN1C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000728409117 1083408092 /nfs/dbraw/zinc/40/80/92/1083408092.db2.gz GMVUCMGQFIMOOP-UHFFFAOYSA-N 0 0 350.422 4.442 20 10 FICDRN CC(=O)c1cc(Cl)cc(CN2CCC(OC3CCCC3)CC2)c1O ZINC000177087672 1083535343 /nfs/dbraw/zinc/53/53/43/1083535343.db2.gz MRIZVWHHJOSDCX-UHFFFAOYSA-N 0 0 351.874 4.172 20 10 FICDRN COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc(OC)c1OC ZINC000276995284 1083706813 /nfs/dbraw/zinc/70/68/13/1083706813.db2.gz YDYDGNNIDOLOQI-MNOVXSKESA-N 0 0 367.392 4.108 20 10 FICDRN Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000326665257 1083725597 /nfs/dbraw/zinc/72/55/97/1083725597.db2.gz GXOYMNCQRJIGKQ-UHFFFAOYSA-N 0 0 358.507 4.001 20 10 FICDRN O=[N+]([O-])c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)c2ncccc12 ZINC000024061307 1083729594 /nfs/dbraw/zinc/72/95/94/1083729594.db2.gz IFTSJPIZPLJPPO-UHFFFAOYSA-N 0 0 371.400 4.313 20 10 FICDRN CC[C@H](C)[C@H]([NH2+]Cc1ccc(N(CC)Cc2ccccc2)cc1)C(=O)[O-] ZINC000277115330 1083740997 /nfs/dbraw/zinc/74/09/97/1083740997.db2.gz AQXHZMCNHZQWLJ-UWJYYQICSA-N 0 0 354.494 4.302 20 10 FICDRN C[C@@H](O)C[C@@H]1COCCN1C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588473650 1083747882 /nfs/dbraw/zinc/74/78/82/1083747882.db2.gz ZBKGHMJPRISEFQ-DNVCBOLYSA-N 0 0 368.437 4.106 20 10 FICDRN COc1cc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)ccc1SC ZINC000177270002 1083800098 /nfs/dbraw/zinc/80/00/98/1083800098.db2.gz BWSAGZRZJAZUDS-UHFFFAOYSA-N 0 0 363.454 4.096 20 10 FICDRN CC[C@@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)[C@H]1CCCO1 ZINC001267006630 1083853248 /nfs/dbraw/zinc/85/32/48/1083853248.db2.gz JNNBEXCNOGGZCV-WOJBJXKFSA-N 0 0 374.912 4.364 20 10 FICDRN O=C1OCC[C@@H]1CCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000177575118 1084101081 /nfs/dbraw/zinc/10/10/81/1084101081.db2.gz OJCUQDOZERNPFT-MRXNPFEDSA-N 0 0 368.458 4.237 20 10 FICDRN COCCn1c(C)c(C)c2cc(C(=O)OCCCc3ccncc3)ccc21 ZINC000728455295 1084352263 /nfs/dbraw/zinc/35/22/63/1084352263.db2.gz NVIMSKFMMNHSIP-UHFFFAOYSA-N 0 0 366.461 4.089 20 10 FICDRN CCn1cc(-c2n[nH]cc2C(=O)N(C)c2ccc(-c3ccccc3)cc2)cn1 ZINC000548633820 1084385758 /nfs/dbraw/zinc/38/57/58/1084385758.db2.gz QREBUYXSCBVGOU-UHFFFAOYSA-N 0 0 371.444 4.237 20 10 FICDRN Cc1cc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)c(C)c(C)c1O ZINC000588512274 1084857153 /nfs/dbraw/zinc/85/71/53/1084857153.db2.gz CPIVTOYOIVNRBE-FPLPWBNLSA-N 0 0 351.855 4.383 20 10 FICDRN CC(C)(C)SCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000161271006 1084992241 /nfs/dbraw/zinc/99/22/41/1084992241.db2.gz IGGQCCZXRFSNPW-QGZVFWFLSA-N 0 0 365.539 4.212 20 10 FICDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000472225000 1084996241 /nfs/dbraw/zinc/99/62/41/1084996241.db2.gz RXEFYVCTEIGZCI-UHFFFAOYSA-N 0 0 372.472 4.236 20 10 FICDRN CC(C)CCn1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000782788586 1085060522 /nfs/dbraw/zinc/06/05/22/1085060522.db2.gz DKIKZSMTYJIIDZ-UHFFFAOYSA-N 0 0 371.529 4.438 20 10 FICDRN CN(C)C(=O)CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255515103 1085157910 /nfs/dbraw/zinc/15/79/10/1085157910.db2.gz NHBDQUOFIBWRCE-UHFFFAOYSA-N 0 0 353.426 4.092 20 10 FICDRN Cc1cc(Br)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000837540699 1085202255 /nfs/dbraw/zinc/20/22/55/1085202255.db2.gz CVOZQSWBGOKBCN-LLVKDONJSA-N 0 0 367.312 4.376 20 10 FICDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1 ZINC001125608898 1085208732 /nfs/dbraw/zinc/20/87/32/1085208732.db2.gz HAKGZWPQKKKBIM-UHFFFAOYSA-N 0 0 361.489 4.133 20 10 FICDRN C[C@@H]1CN(C(=O)c2ccccc2N=Nc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000588531014 1085216765 /nfs/dbraw/zinc/21/67/65/1085216765.db2.gz IEHADBBJPNCXSA-FOIQADDNSA-N 0 0 366.465 4.011 20 10 FICDRN Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255524340 1085423233 /nfs/dbraw/zinc/42/32/33/1085423233.db2.gz QTZUVJWISIBQGH-UHFFFAOYSA-N 0 0 363.421 4.470 20 10 FICDRN CC/C(=C\C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000728818270 1085495095 /nfs/dbraw/zinc/49/50/95/1085495095.db2.gz HFYFQGIIBONXCG-SELCWUDQSA-N 0 0 364.489 4.194 20 10 FICDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cc(Br)cc(F)c1[O-] ZINC000756760956 1085789287 /nfs/dbraw/zinc/78/92/87/1085789287.db2.gz SITHRGIQBRZNCO-MQIPJXDCSA-N 0 0 374.294 4.276 20 10 FICDRN COc1ccccc1[C@@H](C)N(C)C(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759928548 1085890391 /nfs/dbraw/zinc/89/03/91/1085890391.db2.gz MEPXQGXRZXIYBF-QGZVFWFLSA-N 0 0 370.493 4.138 20 10 FICDRN Cc1ccc(N2C(=O)/C(=C\c3cccc4c3OCCO4)SC2=S)cc1 ZINC000207256607 1085893220 /nfs/dbraw/zinc/89/32/20/1085893220.db2.gz UMFRWBJXOINEDM-LFIBNONCSA-N 0 0 369.467 4.172 20 10 FICDRN c1cc(N2CCOCC2)ccc1CNc1ccc(N2CCCCC2)cc1 ZINC000121985017 1085923692 /nfs/dbraw/zinc/92/36/92/1085923692.db2.gz HNSBJKWVDOSCIG-UHFFFAOYSA-N 0 0 351.494 4.126 20 10 FICDRN O=C1/C(=C\c2cccnc2Cl)SC(=S)N1c1ccc(F)cc1 ZINC000255558814 1085970648 /nfs/dbraw/zinc/97/06/48/1085970648.db2.gz MTPNBEMCPAREBE-XYOKQWHBSA-N 0 0 350.827 4.280 20 10 FICDRN COCCOc1cccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c1 ZINC000208325426 1085972997 /nfs/dbraw/zinc/97/29/97/1085972997.db2.gz WCJORTHBGBMTNN-QGOAFFKASA-N 0 0 368.458 4.103 20 10 FICDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000472277683 1086048775 /nfs/dbraw/zinc/04/87/75/1086048775.db2.gz MRRDKGOPXHGKGY-YWZLYKJASA-N 0 0 362.477 4.174 20 10 FICDRN CCOc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC001625905681 1086200592 /nfs/dbraw/zinc/20/05/92/1086200592.db2.gz YYYDPWVXTUZLFT-UHFFFAOYSA-N 0 0 367.493 4.179 20 10 FICDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCC(C)(C)C)cc1 ZINC000728863528 1086442362 /nfs/dbraw/zinc/44/23/62/1086442362.db2.gz VQFWZAAUYZGBQD-HXUWFJFHSA-N 0 0 360.542 4.477 20 10 FICDRN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1F ZINC000005175036 1086551001 /nfs/dbraw/zinc/55/10/01/1086551001.db2.gz PUBSFJKEQYWXLQ-UHFFFAOYSA-N 0 0 355.438 4.265 20 10 FICDRN C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278227064 1086631140 /nfs/dbraw/zinc/63/11/40/1086631140.db2.gz JSMHJUMQLHXTCN-NSHDSACASA-N 0 0 367.276 4.252 20 10 FICDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000127979588 1086772559 /nfs/dbraw/zinc/77/25/59/1086772559.db2.gz HIOCXQNOHIDVQO-OAHLLOKOSA-N 0 0 370.522 4.039 20 10 FICDRN COc1ccc(CNc2cccc(-c3nc(C)c(C)o3)c2)c(O)c1OC ZINC000892345128 1086851209 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CC(C)n1nc(-c2ccco2)cc1NC(=O)N(C)Cc1ccccc1O ZINC000278880255 1086518672 /nfs/dbraw/zinc/51/86/72/1086518672.db2.gz CXYUWFBTBWHCRA-UHFFFAOYSA-N 0 0 354.410 4.094 20 10 FICDRN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000053984905 1086604711 /nfs/dbraw/zinc/60/47/11/1086604711.db2.gz CSZGGIKPJABEFB-AWEZNQCLSA-N 0 0 368.506 4.265 20 10 FICDRN C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000053984907 1086605368 /nfs/dbraw/zinc/60/53/68/1086605368.db2.gz CSZGGIKPJABEFB-CQSZACIVSA-N 0 0 368.506 4.265 20 10 FICDRN CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)c1ccc(OC)cc1 ZINC001167835000 1086696018 /nfs/dbraw/zinc/69/60/18/1086696018.db2.gz LZJYZQIIVOUOIM-UHFFFAOYSA-N 0 0 362.857 4.131 20 10 FICDRN O=C(/C=C\c1cncc(F)c1)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000255573120 1086875790 /nfs/dbraw/zinc/87/57/90/1086875790.db2.gz XBUZAPZAFMFJPU-BAQGIRSFSA-N 0 0 351.356 4.001 20 10 FICDRN CC(C)(C)S(=O)(=O)Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000132457303 1087084514 /nfs/dbraw/zinc/08/45/14/1087084514.db2.gz SJWBSMZYYULASS-UHFFFAOYSA-N 0 0 367.898 4.371 20 10 FICDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000161996445 1087129824 /nfs/dbraw/zinc/12/98/24/1087129824.db2.gz NLZLCVRHGRVBDN-ZWKOTPCHSA-N 0 0 372.559 4.030 20 10 FICDRN O=c1nc(CSc2nccs2)[nH]c2scc(-c3ccccc3)c21 ZINC000052913841 1087235236 /nfs/dbraw/zinc/23/52/36/1087235236.db2.gz IKIBRWCJMRSLBN-UHFFFAOYSA-N 0 0 357.485 4.400 20 10 FICDRN O=C(NC[C@@]1(O)CCSC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255631263 1087700142 /nfs/dbraw/zinc/70/01/42/1087700142.db2.gz JDXNPGAJSABARU-SFHVURJKSA-N 0 0 356.451 4.092 20 10 FICDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c2ccc(F)cc2n1 ZINC001269588274 1087738161 /nfs/dbraw/zinc/73/81/61/1087738161.db2.gz PLJYASNZPNVOGI-CQSZACIVSA-N 0 0 351.425 4.239 20 10 FICDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1cccs1)Cc1cccs1 ZINC000167343803 1088655633 /nfs/dbraw/zinc/65/56/33/1088655633.db2.gz ZBWOTAJOTDTMQO-SOFGYWHQSA-N 0 0 371.483 4.463 20 10 FICDRN CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)Cc1ccc(O)c(O)c1 ZINC001143492070 1089214707 /nfs/dbraw/zinc/21/47/07/1089214707.db2.gz WJQQDCRQNNTXMT-IBGZPJMESA-N 0 0 355.478 4.290 20 10 FICDRN COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc(F)c3[O-])CC2)c1 ZINC000802659521 1089328835 /nfs/dbraw/zinc/32/88/35/1089328835.db2.gz IKVZBUVVDNMYMZ-UHFFFAOYSA-N 0 0 363.404 4.009 20 10 FICDRN Cc1onc(-c2cccnc2)c1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000377571676 1089518251 /nfs/dbraw/zinc/51/82/51/1089518251.db2.gz MFFJOMAXNZICJT-UHFFFAOYSA-N 0 0 370.412 4.287 20 10 FICDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)c(OCCOC)c2)cc1 ZINC000179809771 1090115426 /nfs/dbraw/zinc/11/54/26/1090115426.db2.gz OFSFYGMYNOLYEX-MRXNPFEDSA-N 0 0 358.482 4.350 20 10 FICDRN CCCc1c(NC(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1 ZINC000783088448 1090194659 /nfs/dbraw/zinc/19/46/59/1090194659.db2.gz LPBQOAVGAXITSL-UHFFFAOYSA-N 0 0 364.449 4.194 20 10 FICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000181889485 1090315510 /nfs/dbraw/zinc/31/55/10/1090315510.db2.gz ZPAYIDCVQWDURV-UHFFFAOYSA-N 0 0 353.344 4.250 20 10 FICDRN 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370.902 4.240 20 10 FICDRN COc1cc(Cl)cc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)c1O ZINC000761201235 1115618719 /nfs/dbraw/zinc/61/87/19/1115618719.db2.gz FKZMOTLSWWSMTM-IFXJQAMLSA-N 0 0 361.869 4.325 20 10 FICDRN CCn1nc(C)c(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)c1C ZINC000060370869 1115623015 /nfs/dbraw/zinc/62/30/15/1115623015.db2.gz KNPSHQCTNPMXAK-YVLHZVERSA-N 0 0 354.479 4.219 20 10 FICDRN Cn1nc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)c2ccccc21 ZINC000761227311 1115674842 /nfs/dbraw/zinc/67/48/42/1115674842.db2.gz ZVVVZJLKUVSHBE-UHFFFAOYSA-N 0 0 373.456 4.148 20 10 FICDRN CN(Cc1ccccc1O)C(=O)CCCc1cccc(Br)c1 ZINC000761230595 1115675317 /nfs/dbraw/zinc/67/53/17/1115675317.db2.gz ISGGDHYMGKBETE-UHFFFAOYSA-N 0 0 362.267 4.136 20 10 FICDRN COc1ccc(N2CCN(C(=O)/C=C(\C)c3ccccc3Cl)CC2)cc1 ZINC001127188816 1115726816 /nfs/dbraw/zinc/72/68/16/1115726816.db2.gz CSZSRUCHOFRMTM-FOCLMDBBSA-N 0 0 370.880 4.101 20 10 FICDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170997258 1115815596 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CCN(CC)c1ccc(CNC(=O)N(CC)[C@H](C)c2cccnc2)cc1 ZINC000172065575 1115910722 /nfs/dbraw/zinc/91/07/22/1115910722.db2.gz KYIOUPLRJKRUSH-QGZVFWFLSA-N 0 0 354.498 4.221 20 10 FICDRN C/C(=C\C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000172229518 1115925362 /nfs/dbraw/zinc/92/53/62/1115925362.db2.gz ZCNAGADWLFVZPX-QMEWPPBRSA-N 0 0 351.446 4.003 20 10 FICDRN O=C(c1cccc(C(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172229513 1115925484 /nfs/dbraw/zinc/92/54/84/1115925484.db2.gz XPZDBQURXLSIOF-QGZVFWFLSA-N 0 0 361.388 4.151 20 10 FICDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000173131029 1116030920 /nfs/dbraw/zinc/03/09/20/1116030920.db2.gz IUFALMFYZNFGSW-LLVKDONJSA-N 0 0 372.808 4.200 20 10 FICDRN O=C([C@H]1CSc2ccccc21)N(Cc1ccco1)Cc1ccccc1O ZINC000173673068 1116080847 /nfs/dbraw/zinc/08/08/47/1116080847.db2.gz AVAVSUUIAGGPHH-SFHVURJKSA-N 0 0 365.454 4.404 20 10 FICDRN CN(Cc1ccccc1O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174078849 1116112219 /nfs/dbraw/zinc/11/22/19/1116112219.db2.gz HDNGDJPGNKMQCU-UHFFFAOYSA-N 0 0 371.181 4.097 20 10 FICDRN O=C(N[C@@H](c1nc(-c2ccc(O)c(O)c2)cs1)C1CC1)c1ccccc1 ZINC000174102351 1116113517 /nfs/dbraw/zinc/11/35/17/1116113517.db2.gz GQHCTZYYFKZWRC-GOSISDBHSA-N 0 0 366.442 4.102 20 10 FICDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccccc1F ZINC000174264254 1116125280 /nfs/dbraw/zinc/12/52/80/1116125280.db2.gz WVIQGWLXODWXPZ-UHFFFAOYSA-N 0 0 367.218 4.348 20 10 FICDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(Br)c2)c1 ZINC000088318190 1116304882 /nfs/dbraw/zinc/30/48/82/1116304882.db2.gz UKKDIYVHKQXYPR-JTQLQIEISA-N 0 0 352.228 4.345 20 10 FICDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS[C@H](C)C1 ZINC000171572633 1117876413 /nfs/dbraw/zinc/87/64/13/1117876413.db2.gz JEKDLKRYUCHDBN-GFCCVEGCSA-N 0 0 362.520 4.161 20 10 FICDRN Cc1nn(C(C)C)cc1/C=C1/CCn2c1nc1cc(Cl)ccc1c2=O ZINC000540732197 1118211287 /nfs/dbraw/zinc/21/12/87/1118211287.db2.gz NPJUPGRXNSIIKO-JYRVWZFOSA-N 0 0 354.841 4.080 20 10 FICDRN Cc1ccc2sc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2c1 ZINC000463958549 1118389479 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FICDRN CC(C)Sc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437003171 1099505883 /nfs/dbraw/zinc/50/58/83/1099505883.db2.gz BBCJFGQZWQASMI-UHFFFAOYSA-N 0 0 356.491 4.292 20 10 FICDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000437018419 1099529325 /nfs/dbraw/zinc/52/93/25/1099529325.db2.gz LXYGKDDJKACYOD-RTWAWAEBSA-N 0 0 372.468 4.435 20 10 FICDRN Cc1cc(-c2csc(CCN3CCCC3=O)n2)c(C)n1-c1ccccc1 ZINC000127432364 1101321040 /nfs/dbraw/zinc/32/10/40/1101321040.db2.gz DDXJBSUPYWGPOH-UHFFFAOYSA-N 0 0 365.502 4.383 20 10 FICDRN COc1cc2c(cc1NCC(=O)N1CCC[C@@H](C)C1)oc1ccccc12 ZINC000140294581 1101530251 /nfs/dbraw/zinc/53/02/51/1101530251.db2.gz FXGSLSWBOYDCNI-CQSZACIVSA-N 0 0 352.434 4.265 20 10 FICDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000178565913 1101535812 /nfs/dbraw/zinc/53/58/12/1101535812.db2.gz DIVOUNOMVQAAFG-OAQYLSRUSA-N 0 0 364.493 4.037 20 10 FICDRN C[C@H](C[C@H]1CCOC1)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000760194591 1101615632 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CCC(CC)N(CCOC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483062720 1113433460 /nfs/dbraw/zinc/43/34/60/1113433460.db2.gz RYKALZMBTOZWRH-UHFFFAOYSA-N 0 0 374.525 4.182 20 10 FICDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000174812756 1113801412 /nfs/dbraw/zinc/80/14/12/1113801412.db2.gz BHWXWJVXFGIPFV-UHFFFAOYSA-N 0 0 355.438 4.103 20 10 FICDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CNc2ccccc21 ZINC000911633680 1114008058 /nfs/dbraw/zinc/00/80/58/1114008058.db2.gz UMURQOUPICYSTC-IBGZPJMESA-N 0 0 363.505 4.235 20 10 FICDRN CCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000150923454 1114173315 /nfs/dbraw/zinc/17/33/15/1114173315.db2.gz ORKPYLBIXNSUGZ-OAQYLSRUSA-N 0 0 360.448 4.432 20 10 FICDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000913181489 1114306795 /nfs/dbraw/zinc/30/67/95/1114306795.db2.gz XQGMCJPWVHOFLB-UHFFFAOYSA-N 0 0 353.353 4.394 20 10 FICDRN COc1ccc(N2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)cc1 ZINC000913407919 1114346055 /nfs/dbraw/zinc/34/60/55/1114346055.db2.gz 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FICDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCC(C(F)(F)F)CC2)c1 ZINC000180735977 1124418020 /nfs/dbraw/zinc/41/80/20/1124418020.db2.gz XWXIYNFZZLSIPB-HIFPTAJRSA-N 0 0 359.388 4.337 20 10 FICDRN CCCCc1nc(C)c(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC001128135299 1124521054 /nfs/dbraw/zinc/52/10/54/1124521054.db2.gz BJAQKMHCCTXNAG-CQSZACIVSA-N 0 0 359.539 4.280 20 10 FICDRN C[C@H](NC(=O)C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(N(C)C)cc1 ZINC001128137822 1124532597 /nfs/dbraw/zinc/53/25/97/1124532597.db2.gz RHDAUIZDYFVPHS-NSHDSACASA-N 0 0 365.260 4.120 20 10 FICDRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001128138073 1124534953 /nfs/dbraw/zinc/53/49/53/1124534953.db2.gz UDMULKCCCQKCIS-RDTXWAMCSA-N 0 0 360.885 4.441 20 10 FICDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)ccc1SCC(F)F ZINC000181106110 1124537807 /nfs/dbraw/zinc/53/78/07/1124537807.db2.gz ONAHYJUGYVLZDW-QHHAFSJGSA-N 0 0 369.364 4.246 20 10 FICDRN Cc1ccc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000069436848 1124879327 /nfs/dbraw/zinc/87/93/27/1124879327.db2.gz KEHYFPLUCCDDGO-NRFANRHFSA-N 0 0 366.505 4.191 20 10 FICDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000069436931 1124879442 /nfs/dbraw/zinc/87/94/42/1124879442.db2.gz NOOMEHJLMABMTG-OAQYLSRUSA-N 0 0 366.505 4.191 20 10 FICDRN C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)o1 ZINC000069543100 1124968116 /nfs/dbraw/zinc/96/81/16/1124968116.db2.gz HCVUGDBGCLBJGP-CDKZENOQSA-N 0 0 370.499 4.242 20 10 FICDRN COc1ccccc1[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccn1 ZINC000921938737 1125030657 /nfs/dbraw/zinc/03/06/57/1125030657.db2.gz ZSEMNPWRFRTREV-HSZRJFAPSA-N 0 0 360.457 4.294 20 10 FICDRN Cc1nc(C)c(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)o1 ZINC000181581526 1125034072 /nfs/dbraw/zinc/03/40/72/1125034072.db2.gz GQEQWNHCQKOOGE-HNNXBMFYSA-N 0 0 350.418 4.401 20 10 FICDRN C[C@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)c1ccc(N(C)C)cc1 ZINC001128246478 1125121077 /nfs/dbraw/zinc/12/10/77/1125121077.db2.gz DNMSFMZKIKHHNN-LBPRGKRZSA-N 0 0 370.836 4.003 20 10 FICDRN C[C@@H](NC(=O)c1cc(=O)c2ccc(Cl)cc2o1)c1ccc(N(C)C)cc1 ZINC001128246477 1125121769 /nfs/dbraw/zinc/12/17/69/1125121769.db2.gz DNMSFMZKIKHHNN-GFCCVEGCSA-N 0 0 370.836 4.003 20 10 FICDRN C[C@@H]1CCN(C(=O)C2=CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC001626066035 1125152654 /nfs/dbraw/zinc/15/26/54/1125152654.db2.gz YDIXWYULDODJTG-MRXNPFEDSA-N 0 0 370.493 4.484 20 10 FICDRN COc1ccc(O)c([C@@H](C)Nc2cccc(I)c2)c1 ZINC000020478790 220327865 /nfs/dbraw/zinc/32/78/65/220327865.db2.gz QVXIKKKQMJWTEU-SNVBAGLBSA-N 0 0 369.202 4.179 20 10 FICDRN