smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)cnc2Cl)cc1 ZINC001164409816 718849989 /nfs/dbraw/zinc/84/99/89/718849989.db2.gz XGFNSTWJODQLHU-SFTDATJTSA-N 0 0 435.861 5.235 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@H]3CC(F)(F)[C@@H]3C2)c(Cl)nn1 ZINC001164412018 718872090 /nfs/dbraw/zinc/87/20/90/718872090.db2.gz SUISXBBANVUMOU-NOZJJQNGSA-N 0 0 439.762 5.452 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@@H]2CC ZINC001164703502 719823085 /nfs/dbraw/zinc/82/30/85/719823085.db2.gz VSDZRIXJKFNOKZ-KNQAVFIVSA-N 0 0 433.930 5.359 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164830920 720496071 /nfs/dbraw/zinc/49/60/71/720496071.db2.gz CKULWNBAGVMZIS-YADHBBJMSA-N 0 0 439.893 5.001 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164771998 721058216 /nfs/dbraw/zinc/05/82/16/721058216.db2.gz OCRSJALYQZMKHW-FOIQADDNSA-N 0 0 438.305 5.348 20 30 IKEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC001165048020 721979830 /nfs/dbraw/zinc/97/98/30/721979830.db2.gz CMJRSIHPSMKOFB-UHFFFAOYSA-N 0 0 447.791 5.098 20 30 IKEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001164980135 722170211 /nfs/dbraw/zinc/17/02/11/722170211.db2.gz WSRXBTNOYHXXBB-KKSFZXQISA-N 0 0 438.902 5.118 20 30 IKEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001164980131 722170253 /nfs/dbraw/zinc/17/02/53/722170253.db2.gz WSRXBTNOYHXXBB-IERDGZPVSA-N 0 0 438.902 5.118 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)cc2c1Cl ZINC001164410048 718850319 /nfs/dbraw/zinc/85/03/19/718850319.db2.gz YLUJAZXQWZCSLO-SJORKVTESA-N 0 0 444.268 5.374 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@@H]2CC ZINC001164700717 719821842 /nfs/dbraw/zinc/82/18/42/719821842.db2.gz LUDFWJPQHUKTEY-DENIHFKCSA-N 0 0 433.930 5.359 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@@H]2CC ZINC001164703968 719822453 /nfs/dbraw/zinc/82/24/53/719822453.db2.gz WNIWQIKRPRMJFW-GCJKJVERSA-N 0 0 433.930 5.359 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@@H]2CC ZINC001164703490 719822926 /nfs/dbraw/zinc/82/29/26/719822926.db2.gz VSDZRIXJKFNOKZ-DENIHFKCSA-N 0 0 433.930 5.359 20 30 IKEDRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)cs1 ZINC001164749036 720865769 /nfs/dbraw/zinc/86/57/69/720865769.db2.gz GKNLIIMZUQFHFY-LJQANCHMSA-N 0 0 446.910 5.161 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)cc1 ZINC001164409814 718849862 /nfs/dbraw/zinc/84/98/62/718849862.db2.gz XGFNSTWJODQLHU-NHCUHLMSSA-N 0 0 435.861 5.235 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)cnc2Cl)cc1 ZINC001164409812 718849987 /nfs/dbraw/zinc/84/99/87/718849987.db2.gz XGFNSTWJODQLHU-LEWJYISDSA-N 0 0 435.861 5.235 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@H]3CC(F)(F)[C@@H]3C2)cnc1Cl ZINC001164412273 718871690 /nfs/dbraw/zinc/87/16/90/718871690.db2.gz VBCYADQQWGIVDN-MEBBXXQBSA-N 0 0 438.774 6.057 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@H]2CC ZINC001164703967 719822653 /nfs/dbraw/zinc/82/26/53/719822653.db2.gz WNIWQIKRPRMJFW-AVRDEDQJSA-N 0 0 433.930 5.359 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164830917 720496207 /nfs/dbraw/zinc/49/62/07/720496207.db2.gz CKULWNBAGVMZIS-FCHUYYIVSA-N 0 0 439.893 5.001 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)cc1 ZINC001164832706 720496357 /nfs/dbraw/zinc/49/63/57/720496357.db2.gz KNGYUJOZACZLLF-FCHUYYIVSA-N 0 0 439.893 5.001 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@H]3Cc3ccccc3)cnc2Cl)cc1 ZINC001164832711 720496468 /nfs/dbraw/zinc/49/64/68/720496468.db2.gz KNGYUJOZACZLLF-YADHBBJMSA-N 0 0 439.893 5.001 20 30 IKEDRN COC[C@]12CCC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164849604 720796907 /nfs/dbraw/zinc/79/69/07/720796907.db2.gz RZTRIWXUSPEABN-ORAYPTAESA-N 0 0 426.294 5.211 20 30 IKEDRN COC[C@@]12CCC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164849605 720797455 /nfs/dbraw/zinc/79/74/55/720797455.db2.gz RZTRIWXUSPEABN-YJYMSZOUSA-N 0 0 426.294 5.211 20 30 IKEDRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N(CCC#N)C2CCCC2)cc1 ZINC001165019135 721835852 /nfs/dbraw/zinc/83/58/52/721835852.db2.gz WCOZPFPLLJBMMQ-UHFFFAOYSA-N 0 0 433.886 5.396 20 30 IKEDRN N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCN(CCc2ccccn2)CC1 ZINC001165054862 722020206 /nfs/dbraw/zinc/02/02/06/722020206.db2.gz GODCGTQZBCIULO-UHFFFAOYSA-N 0 0 445.570 5.047 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)cc2c1Cl ZINC001164410044 718850197 /nfs/dbraw/zinc/85/01/97/718850197.db2.gz YLUJAZXQWZCSLO-IAGOWNOFSA-N 0 0 444.268 5.374 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@H]3[C@H](CC3(F)F)C2)cnc1Cl ZINC001164412264 718871670 /nfs/dbraw/zinc/87/16/70/718871670.db2.gz VBCYADQQWGIVDN-BMIGLBTASA-N 0 0 438.774 6.057 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@H]2CC ZINC001164703969 719822650 /nfs/dbraw/zinc/82/26/50/719822650.db2.gz WNIWQIKRPRMJFW-PGRDOPGGSA-N 0 0 433.930 5.359 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@H]2CC ZINC001164703508 719823081 /nfs/dbraw/zinc/82/30/81/719823081.db2.gz VSDZRIXJKFNOKZ-UGKGYDQZSA-N 0 0 433.930 5.359 20 30 IKEDRN COC[C@]12CCC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164849602 720797448 /nfs/dbraw/zinc/79/74/48/720797448.db2.gz RZTRIWXUSPEABN-BFUOFWGJSA-N 0 0 426.294 5.211 20 30 IKEDRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)cs1 ZINC001164751505 720865696 /nfs/dbraw/zinc/86/56/96/720865696.db2.gz KNLVFLFIQHCSND-LJQANCHMSA-N 0 0 446.910 5.161 20 30 IKEDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)cs1 ZINC001164751503 720865835 /nfs/dbraw/zinc/86/58/35/720865835.db2.gz KNLVFLFIQHCSND-IBGZPJMESA-N 0 0 446.910 5.161 20 30 IKEDRN CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001165017365 721837504 /nfs/dbraw/zinc/83/75/04/721837504.db2.gz KSOKMLVPCCOVLL-UHFFFAOYSA-N 0 0 428.826 5.363 20 30 IKEDRN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000016407681 556810730 /nfs/dbraw/zinc/81/07/30/556810730.db2.gz HRJLIQNJSLIURR-ZRDIBKRKSA-N 0 0 434.488 5.196 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)cnc2Cl)c1 ZINC001164409352 718849882 /nfs/dbraw/zinc/84/98/82/718849882.db2.gz VCUHDHWHIABKMM-LEWJYISDSA-N 0 0 435.861 5.235 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@H]3C2)cnc1Cl ZINC001164412271 718871765 /nfs/dbraw/zinc/87/17/65/718871765.db2.gz VBCYADQQWGIVDN-BONVTDFDSA-N 0 0 438.774 6.057 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)nn1 ZINC001164412019 718871981 /nfs/dbraw/zinc/87/19/81/718871981.db2.gz SUISXBBANVUMOU-RNCFNFMXSA-N 0 0 439.762 5.452 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@H]3C2)c(Cl)nn1 ZINC001164412021 718872561 /nfs/dbraw/zinc/87/25/61/718872561.db2.gz SUISXBBANVUMOU-ZANVPECISA-N 0 0 439.762 5.452 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@@H]2CC ZINC001164700718 719821775 /nfs/dbraw/zinc/82/17/75/719821775.db2.gz LUDFWJPQHUKTEY-KNQAVFIVSA-N 0 0 433.930 5.359 20 30 IKEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@H]2CC ZINC001164700720 719821782 /nfs/dbraw/zinc/82/17/82/719821782.db2.gz LUDFWJPQHUKTEY-UGKGYDQZSA-N 0 0 433.930 5.359 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164772000 721057890 /nfs/dbraw/zinc/05/78/90/721057890.db2.gz OCRSJALYQZMKHW-MGPUTAFESA-N 0 0 438.305 5.348 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164772002 721058129 /nfs/dbraw/zinc/05/81/29/721058129.db2.gz OCRSJALYQZMKHW-QRWLVFNGSA-N 0 0 438.305 5.348 20 30 IKEDRN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H](Cc3ccccc3)C2)nc1C(F)(F)F ZINC001165038895 721900216 /nfs/dbraw/zinc/90/02/16/721900216.db2.gz STQNCQYIYNRGOJ-ZDUSSCGKSA-N 0 0 430.808 5.024 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCC[C@@H]3c3cccnc3)cc2c1Cl ZINC001165045812 721964283 /nfs/dbraw/zinc/96/42/83/721964283.db2.gz BCOPZAHAQVBJBH-GOSISDBHSA-N 0 0 433.289 6.085 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3c3cccnc3)c(Cl)nn2)cc1 ZINC001165045857 721964300 /nfs/dbraw/zinc/96/43/00/721964300.db2.gz CGULMDWIXDJPON-HXUWFJFHSA-N 0 0 425.870 5.340 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3c3cccnc3)c(Cl)nn2)c1 ZINC001165045838 721964371 /nfs/dbraw/zinc/96/43/71/721964371.db2.gz BZYFYJMIZDLNMT-HXUWFJFHSA-N 0 0 425.870 5.340 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3c3cccnc3)c(Cl)nn2)cc1 ZINC001165045856 721964388 /nfs/dbraw/zinc/96/43/88/721964388.db2.gz CGULMDWIXDJPON-FQEVSTJZSA-N 0 0 425.870 5.340 20 30 IKEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC001165049562 721979850 /nfs/dbraw/zinc/97/98/50/721979850.db2.gz KAYDYJIRBVHLMJ-UHFFFAOYSA-N 0 0 447.791 5.098 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@H]2CC ZINC001164700719 719821883 /nfs/dbraw/zinc/82/18/83/719821883.db2.gz LUDFWJPQHUKTEY-SIKLNZKXSA-N 0 0 433.930 5.359 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@H]2CC ZINC001164703505 719823089 /nfs/dbraw/zinc/82/30/89/719823089.db2.gz VSDZRIXJKFNOKZ-SIKLNZKXSA-N 0 0 433.930 5.359 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)cc1 ZINC001164832709 720496170 /nfs/dbraw/zinc/49/61/70/720496170.db2.gz KNGYUJOZACZLLF-VXKWHMMOSA-N 0 0 439.893 5.001 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164830919 720496610 /nfs/dbraw/zinc/49/66/10/720496610.db2.gz CKULWNBAGVMZIS-VXKWHMMOSA-N 0 0 439.893 5.001 20 30 IKEDRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N(CCC#N)C2CCCC2)c2ccccc21 ZINC001165018492 721835816 /nfs/dbraw/zinc/83/58/16/721835816.db2.gz RWTPTTOFMCXFAC-UHFFFAOYSA-N 0 0 429.902 5.496 20 30 IKEDRN N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H](Cc3ccccc3)C2)nc1C(F)(F)F ZINC001165038894 721900339 /nfs/dbraw/zinc/90/03/39/721900339.db2.gz STQNCQYIYNRGOJ-CYBMUJFWSA-N 0 0 430.808 5.024 20 30 IKEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 ZINC001165050551 721979833 /nfs/dbraw/zinc/97/98/33/721979833.db2.gz UYZXWFRSMWVILH-UHFFFAOYSA-N 0 0 447.791 5.098 20 30 IKEDRN COc1cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)c(C#N)c(Cl)n1 ZINC001165050654 721989096 /nfs/dbraw/zinc/98/90/96/721989096.db2.gz HUEURUWYSAPRRF-UHFFFAOYSA-N 0 0 434.899 5.154 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164409367 718849897 /nfs/dbraw/zinc/84/98/97/718849897.db2.gz VCUHDHWHIABKMM-NHCUHLMSSA-N 0 0 435.861 5.235 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)cnc2Cl)c1 ZINC001164409376 718849918 /nfs/dbraw/zinc/84/99/18/718849918.db2.gz VCUHDHWHIABKMM-SFTDATJTSA-N 0 0 435.861 5.235 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)cc1 ZINC001164409815 718849926 /nfs/dbraw/zinc/84/99/26/718849926.db2.gz XGFNSTWJODQLHU-RTWAWAEBSA-N 0 0 435.861 5.235 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)cc2c1Cl ZINC001164410042 718850316 /nfs/dbraw/zinc/85/03/16/718850316.db2.gz YLUJAZXQWZCSLO-DLBZAZTESA-N 0 0 444.268 5.374 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@@H]3C2)cnc1Cl ZINC001164412275 718871826 /nfs/dbraw/zinc/87/18/26/718871826.db2.gz VBCYADQQWGIVDN-ZUZCIYMTSA-N 0 0 438.774 6.057 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001164423274 718936611 /nfs/dbraw/zinc/93/66/11/718936611.db2.gz GLOPAUVPYDKZSB-UHFFFAOYSA-N 0 0 440.252 5.069 20 30 IKEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@@H]2CC ZINC001164703970 719822627 /nfs/dbraw/zinc/82/26/27/719822627.db2.gz WNIWQIKRPRMJFW-XMSQKQJNSA-N 0 0 433.930 5.359 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@H]3Cc3ccccc3)cnc2Cl)c1 ZINC001164830918 720496023 /nfs/dbraw/zinc/49/60/23/720496023.db2.gz CKULWNBAGVMZIS-FGZHOGPDSA-N 0 0 439.893 5.001 20 30 IKEDRN COC[C@@]12CCC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164849603 720797033 /nfs/dbraw/zinc/79/70/33/720797033.db2.gz RZTRIWXUSPEABN-DJJJIMSYSA-N 0 0 426.294 5.211 20 30 IKEDRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(C#N)cc3)c2)cs1 ZINC001164749035 720865832 /nfs/dbraw/zinc/86/58/32/720865832.db2.gz GKNLIIMZUQFHFY-IBGZPJMESA-N 0 0 446.910 5.161 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164772004 721057912 /nfs/dbraw/zinc/05/79/12/721057912.db2.gz OCRSJALYQZMKHW-YWZLYKJASA-N 0 0 438.305 5.348 20 30 IKEDRN CN(Cc1ccc(C#N)cc1)C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001165016633 721837052 /nfs/dbraw/zinc/83/70/52/721837052.db2.gz FMUYOFCSMWAPID-UHFFFAOYSA-N 0 0 437.881 5.342 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCC[C@H]3c3cccnc3)cc2c1Cl ZINC001165045813 721964383 /nfs/dbraw/zinc/96/43/83/721964383.db2.gz BCOPZAHAQVBJBH-SFHVURJKSA-N 0 0 433.289 6.085 20 30 IKEDRN N#Cc1cc(C(F)(F)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cnc1Cl ZINC001165051167 721979727 /nfs/dbraw/zinc/97/97/27/721979727.db2.gz ZUHCTFLFJHVWEY-UHFFFAOYSA-N 0 0 447.791 5.098 20 30 IKEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001165049223 721979804 /nfs/dbraw/zinc/97/98/04/721979804.db2.gz JFMXAXBGDZCYBL-UHFFFAOYSA-N 0 0 447.791 5.098 20 30 IKEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165051783 721989009 /nfs/dbraw/zinc/98/90/09/721989009.db2.gz ZJFHOMGHOOARLF-UHFFFAOYSA-N 0 0 439.318 5.799 20 30 IKEDRN COc1cc2nccc(Oc3ccc(NC(=S)Nc4ccc(F)cc4)cc3)c2cc1OC ZINC000013610072 562997642 /nfs/dbraw/zinc/99/76/42/562997642.db2.gz CHXXFDZXNXYYOB-UHFFFAOYSA-N 0 0 449.507 6.213 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164409372 718850033 /nfs/dbraw/zinc/85/00/33/718850033.db2.gz VCUHDHWHIABKMM-RTWAWAEBSA-N 0 0 435.861 5.235 20 30 IKEDRN N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)cc2c1Cl ZINC001164410046 718850402 /nfs/dbraw/zinc/85/04/02/718850402.db2.gz YLUJAZXQWZCSLO-IRXDYDNUSA-N 0 0 444.268 5.374 20 30 IKEDRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3CC(F)(F)[C@@H]3C2)c(Cl)nn1 ZINC001164412020 718872102 /nfs/dbraw/zinc/87/21/02/718872102.db2.gz SUISXBBANVUMOU-TVQRCGJNSA-N 0 0 439.762 5.452 20 30 IKEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@H]3Cc3ccccc3)cnc2Cl)cc1 ZINC001164832707 720495766 /nfs/dbraw/zinc/49/57/66/720495766.db2.gz KNGYUJOZACZLLF-FGZHOGPDSA-N 0 0 439.893 5.001 20 30 IKEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3c3cccnc3)c(Cl)nn2)c1 ZINC001165045837 721964187 /nfs/dbraw/zinc/96/41/87/721964187.db2.gz BZYFYJMIZDLNMT-FQEVSTJZSA-N 0 0 425.870 5.340 20 30 IKEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001164980133 722170106 /nfs/dbraw/zinc/17/01/06/722170106.db2.gz WSRXBTNOYHXXBB-IIBYNOLFSA-N 0 0 438.902 5.118 20 30 IKEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CCO2 ZINC001164980129 722170136 /nfs/dbraw/zinc/17/01/36/722170136.db2.gz WSRXBTNOYHXXBB-HRAATJIYSA-N 0 0 438.902 5.118 20 30 IKEDRN