smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cnc(Cl)nc4)C3)C2)n1 ZINC001164663437 719358081 /nfs/dbraw/zinc/35/80/81/719358081.db2.gz FMFWXXBLDPPXFE-LJQANCHMSA-N 0 0 434.878 3.065 20 30 IGEDRN Cn1ncc2c1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)C[C@H]2COc1cccnc1 ZINC001164688588 719595326 /nfs/dbraw/zinc/59/53/26/719595326.db2.gz XZCPPCULENBHDF-AWEZNQCLSA-N 0 0 430.846 3.463 20 30 IGEDRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)cc1C#N)C[C@H]2COc1cccnc1 ZINC001164684603 719599142 /nfs/dbraw/zinc/59/91/42/719599142.db2.gz IKKRYYFVFOSKNK-AWEZNQCLSA-N 0 0 430.846 3.463 20 30 IGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](OCC)[C@H]2OCCC[C@@H]21 ZINC001164711013 720061653 /nfs/dbraw/zinc/06/16/53/720061653.db2.gz GVXPZCKRDIQFBU-KKUMJFAQSA-N 0 0 429.851 3.101 20 30 IGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766967 721271947 /nfs/dbraw/zinc/27/19/47/721271947.db2.gz PPTOBCCKYNDPMB-CQSZACIVSA-N 0 0 430.846 3.458 20 30 IGEDRN C=CCOc1cc(C)nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776734 721351344 /nfs/dbraw/zinc/35/13/44/721351344.db2.gz CFCWFPOTICMVBC-QHCPKHFHSA-N 0 0 427.549 3.074 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@@H](C(=O)NCC3CC3)C[C@@H]21 ZINC001164886052 721454745 /nfs/dbraw/zinc/45/47/45/721454745.db2.gz GGNVSDIIIORPIJ-MELADBBJSA-N 0 0 431.270 3.067 20 30 IGEDRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164897970 721501185 /nfs/dbraw/zinc/50/11/85/721501185.db2.gz PEVSXHYWBUKKOT-OAHLLOKOSA-N 0 0 426.895 3.299 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164803074 721545344 /nfs/dbraw/zinc/54/53/44/721545344.db2.gz HVEKRCCQICVIQD-QWFCFKBJSA-N 0 0 433.890 3.415 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)c1 ZINC001165023814 721780872 /nfs/dbraw/zinc/78/08/72/721780872.db2.gz VJKJSCLDLRBQLH-BXWFABGCSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)cnc1Cl ZINC001164946942 721974295 /nfs/dbraw/zinc/97/42/95/721974295.db2.gz MHVFSASRPZQWHW-UHFFFAOYSA-N 0 0 445.901 3.123 20 30 IGEDRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C2)C1 ZINC001164955015 722007717 /nfs/dbraw/zinc/00/77/17/722007717.db2.gz RESWIPCWHZVMGG-APPDUMDISA-N 0 0 448.301 3.204 20 30 IGEDRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cc(-c4cccc(C#N)c4)nnc3Cl)C[C@H]21 ZINC001164960243 722040165 /nfs/dbraw/zinc/04/01/65/722040165.db2.gz JUCMIIKWBVORTA-HWWDLCQESA-N 0 0 431.874 3.420 20 30 IGEDRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164992969 722187487 /nfs/dbraw/zinc/18/74/87/722187487.db2.gz WUSMROSUGFOMPY-INIZCTEOSA-N 0 0 426.895 3.253 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)cnc1Cl ZINC001165000797 722247807 /nfs/dbraw/zinc/24/78/07/722247807.db2.gz LLXDWVMMTWUXNF-UHFFFAOYSA-N 0 0 430.802 3.350 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001165006728 722264474 /nfs/dbraw/zinc/26/44/74/722264474.db2.gz LRQUJAWBLCOACU-HXUWFJFHSA-N 0 0 434.302 3.327 20 30 IGEDRN CC(C)CN1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001164657632 719337197 /nfs/dbraw/zinc/33/71/97/719337197.db2.gz VLDFWQDLVMPXGZ-QFIPXVFZSA-N 0 0 449.580 3.446 20 30 IGEDRN Cc1nc(Cl)cc(C(F)(F)N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)n1 ZINC001164664897 719358051 /nfs/dbraw/zinc/35/80/51/719358051.db2.gz RSFOSTOODDSUPM-HXUWFJFHSA-N 0 0 448.905 3.373 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164715109 720088612 /nfs/dbraw/zinc/08/86/12/720088612.db2.gz YOVFNRUVRCJNCA-UHFFFAOYSA-N 0 0 438.269 3.309 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)nc1Cl ZINC001164833530 720497389 /nfs/dbraw/zinc/49/73/89/720497389.db2.gz PRJZXSAJWSQYOZ-ZACQAIPSSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@]2(C(=O)Nc2cccnc2)C1 ZINC001164724823 720501184 /nfs/dbraw/zinc/50/11/84/720501184.db2.gz IFPDJVJZQGGGIR-LPHOPBHVSA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)c1 ZINC001164724390 720501469 /nfs/dbraw/zinc/50/14/69/720501469.db2.gz FVZFTWDYGDMJEO-APWZRJJASA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2OCC[C@]2(C(=O)Nc2cccnc2)C1 ZINC001164722413 720501899 /nfs/dbraw/zinc/50/18/99/720501899.db2.gz AGVXZYSWLFQCPS-LPHOPBHVSA-N 0 0 433.846 3.171 20 30 IGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001164846333 720826749 /nfs/dbraw/zinc/82/67/49/720826749.db2.gz DNIDMUBGBCUOES-KXBFYZLASA-N 0 0 443.878 3.350 20 30 IGEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(OC)nc(Cl)c4C#N)C[C@@H]32)N=C1C ZINC001164873137 721230520 /nfs/dbraw/zinc/23/05/20/721230520.db2.gz QBTFFZCMCHRXML-VRHCTWJESA-N 0 0 437.878 3.026 20 30 IGEDRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164898952 721500236 /nfs/dbraw/zinc/50/02/36/721500236.db2.gz VRTWEJICSFOWMJ-INIZCTEOSA-N 0 0 426.895 3.299 20 30 IGEDRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164895298 721501328 /nfs/dbraw/zinc/50/13/28/721501328.db2.gz BOHOTNGJBWRQBR-INIZCTEOSA-N 0 0 426.895 3.299 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)[C@H]2CCCO[C@@H]12 ZINC001164810088 721551895 /nfs/dbraw/zinc/55/18/95/721551895.db2.gz WYADJCGHGUJLKI-NLWGTHIKSA-N 0 0 433.890 3.415 20 30 IGEDRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@@H]2C1=O ZINC001164901349 721577207 /nfs/dbraw/zinc/57/72/07/721577207.db2.gz FFTNBGBMCNSNNQ-LPHOPBHVSA-N 0 0 446.885 3.360 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@H]32)nc1Cl ZINC001165016920 721778955 /nfs/dbraw/zinc/77/89/55/721778955.db2.gz FQYOQPOLWKBFRH-NUJGCVRESA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCCCn4cccn4)CC[C@@H]32)nc1Cl ZINC001165016917 721779270 /nfs/dbraw/zinc/77/92/70/721779270.db2.gz FQYOQPOLWKBFRH-BQFCYCMXSA-N 0 0 437.878 3.191 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164924425 721835074 /nfs/dbraw/zinc/83/50/74/721835074.db2.gz MLLOWLFLJINKRT-KXBFYZLASA-N 0 0 434.878 3.206 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164928112 721836409 /nfs/dbraw/zinc/83/64/09/721836409.db2.gz WEKGQVLRAFCGON-KXBFYZLASA-N 0 0 434.878 3.206 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)cc(Cl)n1 ZINC001164944110 721973825 /nfs/dbraw/zinc/97/38/25/721973825.db2.gz GIQZHJWCKHAYHQ-UHFFFAOYSA-N 0 0 445.901 3.123 20 30 IGEDRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C2)C1 ZINC001164955018 722007698 /nfs/dbraw/zinc/00/76/98/722007698.db2.gz RESWIPCWHZVMGG-PIGZYNQJSA-N 0 0 448.301 3.204 20 30 IGEDRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]2c2ccccc21 ZINC001164976645 722090062 /nfs/dbraw/zinc/09/00/62/722090062.db2.gz SFHWAMQJXSYFCZ-HIFRSBDPSA-N 0 0 438.887 3.151 20 30 IGEDRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]2c2ccccc21 ZINC001164977660 722090437 /nfs/dbraw/zinc/09/04/37/722090437.db2.gz VHVZAOMPGJOEDD-UKRRQHHQSA-N 0 0 438.887 3.151 20 30 IGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)c(C#N)cc4C#N)CC[C@H]32)cs1 ZINC001164985898 722181322 /nfs/dbraw/zinc/18/13/22/722181322.db2.gz CDLCBYWEZXANQS-QZTJIDSGSA-N 0 0 428.949 3.113 20 30 IGEDRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164992947 722187423 /nfs/dbraw/zinc/18/74/23/722187423.db2.gz WQRHTWKJWBWSFB-INIZCTEOSA-N 0 0 426.895 3.253 20 30 IGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2onc(C(=O)Nc3cccnc3)c2C1 ZINC001165002097 722247963 /nfs/dbraw/zinc/24/79/63/722247963.db2.gz WCOKUHJLTHWYHD-UHFFFAOYSA-N 0 0 430.802 3.350 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001164648071 719302180 /nfs/dbraw/zinc/30/21/80/719302180.db2.gz FRQZPGQDNIBFOL-KHIZAZIESA-N 0 0 445.297 3.411 20 30 IGEDRN CC(C)CN1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001164657631 719337278 /nfs/dbraw/zinc/33/72/78/719337278.db2.gz VLDFWQDLVMPXGZ-JOCHJYFZSA-N 0 0 449.580 3.446 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN([C@@H](F)Oc4cccc(Cl)n4)C3)C2)n1 ZINC001164665912 719358605 /nfs/dbraw/zinc/35/86/05/719358605.db2.gz ZKJHQDJAMPJBSW-RTWAWAEBSA-N 0 0 431.899 3.253 20 30 IGEDRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]21 ZINC001164822064 720415914 /nfs/dbraw/zinc/41/59/14/720415914.db2.gz ATVBTMPSGXIUEF-YRGRVCCFSA-N 0 0 447.313 3.418 20 30 IGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2OCC[C@]2(C(=O)Nc2cccnc2)C1 ZINC001164729591 720498324 /nfs/dbraw/zinc/49/83/24/720498324.db2.gz RUOLKJPGJCIBQD-LPHOPBHVSA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)N2CCCCC2)C1 ZINC001164835127 720499238 /nfs/dbraw/zinc/49/92/38/720499238.db2.gz WZWOLJXBGJXDKX-IIDMSEBBSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)cnc1Cl ZINC001164835649 720500440 /nfs/dbraw/zinc/50/04/40/720500440.db2.gz ZJABPQJTFBLVFX-NXHRZFHOSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)c1 ZINC001164724393 720501357 /nfs/dbraw/zinc/50/13/57/720501357.db2.gz FVZFTWDYGDMJEO-VQIMIIECSA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770044 721274780 /nfs/dbraw/zinc/27/47/80/721274780.db2.gz SWDMTZPFDVXKGU-AWEZNQCLSA-N 0 0 430.846 3.458 20 30 IGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[C@@]2(CCN(CC)C2=O)C1 ZINC001164779007 721319622 /nfs/dbraw/zinc/31/96/22/721319622.db2.gz SWNZORILRDWQSI-HXPMCKFVSA-N 0 0 440.878 3.023 20 30 IGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)CC2 ZINC001164781994 721445876 /nfs/dbraw/zinc/44/58/76/721445876.db2.gz HXWXUFKPOPKVFA-UHFFFAOYSA-N 0 0 426.851 3.065 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164807150 721533393 /nfs/dbraw/zinc/53/33/93/721533393.db2.gz PQCMXWPPNJKXNZ-IPMKNSEASA-N 0 0 433.890 3.415 20 30 IGEDRN CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165008436 721729818 /nfs/dbraw/zinc/72/98/18/721729818.db2.gz OBLSARJEPIFERR-UHFFFAOYSA-N 0 0 446.329 3.328 20 30 IGEDRN Cn1ccc(CN2CCOCC23CCN(c2nc4ccccc4c(Cl)c2C#N)CC3)n1 ZINC001164936642 721907771 /nfs/dbraw/zinc/90/77/71/721907771.db2.gz SWCXPNSDEXQBCA-UHFFFAOYSA-N 0 0 436.947 3.365 20 30 IGEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C[C@@H]21 ZINC001164942673 721936977 /nfs/dbraw/zinc/93/69/77/721936977.db2.gz MNNUUCLXQQHXPR-NKKJXINNSA-N 0 0 444.539 3.135 20 30 IGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946909 721970058 /nfs/dbraw/zinc/97/00/58/721970058.db2.gz YVYARDPZYONZCT-UHFFFAOYSA-N 0 0 445.901 3.123 20 30 IGEDRN N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164949410 721981044 /nfs/dbraw/zinc/98/10/44/721981044.db2.gz PNXSPYRTPFQFNT-UHFFFAOYSA-N 0 0 430.339 3.231 20 30 IGEDRN 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CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164803068 721544812 /nfs/dbraw/zinc/54/48/12/721544812.db2.gz HVEKRCCQICVIQD-GGPKGHCWSA-N 0 0 433.890 3.415 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164798219 721557678 /nfs/dbraw/zinc/55/76/78/721557678.db2.gz AZIUWJKDVRNCGQ-QWFCFKBJSA-N 0 0 433.890 3.415 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)cc(Cl)n1 ZINC001165019268 721780612 /nfs/dbraw/zinc/78/06/12/721780612.db2.gz JWBRZXYGUVELHN-SCTDSRPQSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)cnc1Cl ZINC001165017417 721780802 /nfs/dbraw/zinc/78/08/02/721780802.db2.gz GTOZJQUZVSYRDQ-SQNIBIBYSA-N 0 0 437.878 3.191 20 30 IGEDRN Cc1cnc2n1CCN(C)C21CCN(c2ccc([C@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001164918277 721812935 /nfs/dbraw/zinc/81/29/35/721812935.db2.gz QHURZAAMIYZHKI-OAQYLSRUSA-N 0 0 427.556 3.387 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164923411 721836176 /nfs/dbraw/zinc/83/61/76/721836176.db2.gz KDVZJSSOYYPLQO-KXBFYZLASA-N 0 0 434.878 3.206 20 30 IGEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)C[C@@H]21 ZINC001164941120 721937016 /nfs/dbraw/zinc/93/70/16/721937016.db2.gz GECSCORCYGBMFZ-GOTSBHOMSA-N 0 0 433.487 3.454 20 30 IGEDRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]2c2ccccc21 ZINC001164971833 722089485 /nfs/dbraw/zinc/08/94/85/722089485.db2.gz FHCZDGNSLCNPIV-IUODEOHRSA-N 0 0 438.887 3.151 20 30 IGEDRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]2c2ccccc21 ZINC001164971326 722090030 /nfs/dbraw/zinc/09/00/30/722090030.db2.gz BFVUTDJNHLZLEN-XJKSGUPXSA-N 0 0 438.887 3.151 20 30 IGEDRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164991834 722187537 /nfs/dbraw/zinc/18/75/37/722187537.db2.gz QBWSFAMYHAUPEY-HNNXBMFYSA-N 0 0 426.895 3.253 20 30 IGEDRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164993328 722187549 /nfs/dbraw/zinc/18/75/49/722187549.db2.gz YHYQDKPXJNNMLW-OAHLLOKOSA-N 0 0 426.895 3.253 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)c1 ZINC001165001456 722249401 /nfs/dbraw/zinc/24/94/01/722249401.db2.gz RLGGYCXSGAFHRA-IBGZPJMESA-N 0 0 436.846 3.256 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001165005281 722266418 /nfs/dbraw/zinc/26/64/18/722266418.db2.gz AAAOYCRLQAHVDL-HXUWFJFHSA-N 0 0 449.864 3.218 20 30 IGEDRN COc1cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164651267 719299819 /nfs/dbraw/zinc/29/98/19/719299819.db2.gz LNVRUDZJGYZZOA-LERXQTSPSA-N 0 0 425.823 3.208 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)n4)C3)C2)n1 ZINC001164663322 719357609 /nfs/dbraw/zinc/35/76/09/719357609.db2.gz CTNPCMFHXWPCEO-LJQANCHMSA-N 0 0 434.878 3.065 20 30 IGEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)[C@@H]2CC ZINC001164697255 719823314 /nfs/dbraw/zinc/82/33/14/719823314.db2.gz AXNIUJXNHXKPNB-DNVCBOLYSA-N 0 0 426.895 3.305 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H](CO[C@H]3CC(=O)N3CCCCC3)C2)cc(Cl)n1 ZINC001164835089 720499894 /nfs/dbraw/zinc/49/98/94/720499894.db2.gz WPJOAPSAHMDQQM-QGTPRVQTSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CC[C@@H]3OCC[C@@]3(C(=O)Nc3cccnc3)C2)cnc1Cl ZINC001164726802 720500598 /nfs/dbraw/zinc/50/05/98/720500598.db2.gz MAPAKSZUHUIZBR-QFBILLFUSA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770703 721274468 /nfs/dbraw/zinc/27/44/68/721274468.db2.gz XEPWZKMOVTUOKH-CQSZACIVSA-N 0 0 430.846 3.458 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001164887502 721340108 /nfs/dbraw/zinc/34/01/08/721340108.db2.gz VAAJHHQZFNRUNT-KBXCAEBGSA-N 0 0 445.297 3.317 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)ccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164801414 721575565 /nfs/dbraw/zinc/57/55/65/721575565.db2.gz GNKBHNDILSHKNT-RBZQAINGSA-N 0 0 426.524 3.278 20 30 IGEDRN Cc1c(Cl)c(Cl)nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1C#N ZINC001164912889 721774123 /nfs/dbraw/zinc/77/41/23/721774123.db2.gz RLSJWXGIZPBWFW-NRFANRHFSA-N 0 0 448.354 3.071 20 30 IGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@H]21 ZINC001165016229 721780849 /nfs/dbraw/zinc/78/08/49/721780849.db2.gz BXGJLHNJZPYTLH-NUJGCVRESA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165024684 721780962 /nfs/dbraw/zinc/78/09/62/721780962.db2.gz YQKITRKIRRNYIE-LNLFQRSKSA-N 0 0 437.878 3.191 20 30 IGEDRN Cc1cnc2n1CCN(C)C21CCN(c2ccc([C@@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001164918276 721813020 /nfs/dbraw/zinc/81/30/20/721813020.db2.gz QHURZAAMIYZHKI-NRFANRHFSA-N 0 0 427.556 3.387 20 30 IGEDRN Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C)c(Cl)c(C)c4C#N)CCO3)C2)cs1 ZINC001164918842 721823499 /nfs/dbraw/zinc/82/34/99/721823499.db2.gz IDKAIFOFDOFNCV-NRFANRHFSA-N 0 0 447.992 3.096 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164922761 721835580 /nfs/dbraw/zinc/83/55/80/721835580.db2.gz IJVHGYYKWZJBPR-LIRRHRJNSA-N 0 0 434.878 3.206 20 30 IGEDRN CCOC(=O)C[C@H]1C(=O)NCCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001165033930 721876453 /nfs/dbraw/zinc/87/64/53/721876453.db2.gz ZEDZRUHIERBKMU-KRWDZBQOSA-N 0 0 448.857 3.077 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1Cl ZINC001164946922 721969421 /nfs/dbraw/zinc/96/94/21/721969421.db2.gz ZGWXIFCSVHTTHX-UHFFFAOYSA-N 0 0 445.901 3.123 20 30 IGEDRN COc1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3C(=O)c2cscn2)c(C#N)c(Cl)n1 ZINC001164966735 722064841 /nfs/dbraw/zinc/06/48/41/722064841.db2.gz XRQDZZKDCSRVGP-KGLIPLIRSA-N 0 0 439.875 3.110 20 30 IGEDRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164989688 722187614 /nfs/dbraw/zinc/18/76/14/722187614.db2.gz IYEUZUCBWKTQTK-MRXNPFEDSA-N 0 0 426.895 3.253 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)cc(Cl)n1 ZINC001165002457 722249219 /nfs/dbraw/zinc/24/92/19/722249219.db2.gz YSJIEOWYKLOKLW-IBGZPJMESA-N 0 0 436.846 3.256 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(C#N)c(Cl)cc1Cl)C2 ZINC001165004549 722270101 /nfs/dbraw/zinc/27/01/01/722270101.db2.gz BJZPQLLVWRDSAK-HXUWFJFHSA-N 0 0 434.302 3.327 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164648074 719302143 /nfs/dbraw/zinc/30/21/43/719302143.db2.gz FRQZPGQDNIBFOL-YLVFBTJISA-N 0 0 445.297 3.411 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(Cl)ncn4)C3)C2)n1 ZINC001164664619 719357807 /nfs/dbraw/zinc/35/78/07/719357807.db2.gz PLINMRHHOWMJQE-IBGZPJMESA-N 0 0 434.878 3.065 20 30 IGEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)[C@H]2CC ZINC001164697258 719823284 /nfs/dbraw/zinc/82/32/84/719823284.db2.gz AXNIUJXNHXKPNB-KXBFYZLASA-N 0 0 426.895 3.305 20 30 IGEDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164700810 719879834 /nfs/dbraw/zinc/87/98/34/719879834.db2.gz MAIPYQNNEGVTOX-QRQCRPRQSA-N 0 0 446.910 3.132 20 30 IGEDRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2C#N)cn1 ZINC001164760838 721033155 /nfs/dbraw/zinc/03/31/55/721033155.db2.gz DTBRBLFQUBMTAT-UONOGXRCSA-N 0 0 441.269 3.032 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164763797 721272379 /nfs/dbraw/zinc/27/23/79/721272379.db2.gz GHOQEFFVAXZOQI-AWEZNQCLSA-N 0 0 430.846 3.458 20 30 IGEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001164779005 721319518 /nfs/dbraw/zinc/31/95/18/721319518.db2.gz SWNZORILRDWQSI-BUXKBTBVSA-N 0 0 440.878 3.023 20 30 IGEDRN COc1cc(C(F)(F)N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164784016 721416600 /nfs/dbraw/zinc/41/66/00/721416600.db2.gz JUIXXYFQBYSRMX-TXEJJXNPSA-N 0 0 425.892 3.185 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(C#N)c2)[C@H]2CCCO[C@H]12 ZINC001164810089 721551595 /nfs/dbraw/zinc/55/15/95/721551595.db2.gz WYADJCGHGUJLKI-NSHGMRRFSA-N 0 0 433.890 3.415 20 30 IGEDRN COCCN1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@@H]2C1=O ZINC001164901347 721577232 /nfs/dbraw/zinc/57/72/32/721577232.db2.gz FFTNBGBMCNSNNQ-APWZRJJASA-N 0 0 446.885 3.360 20 30 IGEDRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@@H]2C1=O ZINC001164901917 721577375 /nfs/dbraw/zinc/57/73/75/721577375.db2.gz HHTNMIPLXZJGAL-LPHOPBHVSA-N 0 0 446.885 3.360 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)nc1Cl ZINC001165016922 721779196 /nfs/dbraw/zinc/77/91/96/721779196.db2.gz FQYOQPOLWKBFRH-RYRKJORJSA-N 0 0 437.878 3.191 20 30 IGEDRN CCCc1cc(C#N)c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1Cl ZINC001164914083 721786903 /nfs/dbraw/zinc/78/69/03/721786903.db2.gz BDSKUORKUVNMJO-QHCPKHFHSA-N 0 0 441.963 3.062 20 30 IGEDRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164923407 721836038 /nfs/dbraw/zinc/83/60/38/721836038.db2.gz KDVZJSSOYYPLQO-DNVCBOLYSA-N 0 0 434.878 3.206 20 30 IGEDRN Cn1ccc(CN2CCOCC23CCN(c2nc(-c4ccc(F)cc4)ccc2C#N)CC3)n1 ZINC001164929737 721902908 /nfs/dbraw/zinc/90/29/08/721902908.db2.gz HBKURCSLDMWBNC-UHFFFAOYSA-N 0 0 446.530 3.364 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001165003497 722260954 /nfs/dbraw/zinc/26/09/54/722260954.db2.gz GVZURYIXNIYBCH-HXUWFJFHSA-N 0 0 449.864 3.218 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001165007317 722265079 /nfs/dbraw/zinc/26/50/79/722265079.db2.gz RLDBBWJHWBKMGY-FQEVSTJZSA-N 0 0 449.864 3.218 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001165008124 722265087 /nfs/dbraw/zinc/26/50/87/722265087.db2.gz VKILNDVMLSDVHY-FQEVSTJZSA-N 0 0 449.864 3.218 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(C#N)c(Cl)cc1Cl)C2 ZINC001165004547 722270016 /nfs/dbraw/zinc/27/00/16/722270016.db2.gz BJZPQLLVWRDSAK-FQEVSTJZSA-N 0 0 434.302 3.327 20 30 IGEDRN Cc1cc(C)c(C)c(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C ZINC000030335631 259085418 /nfs/dbraw/zinc/08/54/18/259085418.db2.gz OMYLVAHPOHHQFC-UHFFFAOYSA-N 0 0 437.569 3.471 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cncc(Cl)n4)C3)C2)n1 ZINC001164665836 719358856 /nfs/dbraw/zinc/35/88/56/719358856.db2.gz ZCYLLAIOBRWCBF-IBGZPJMESA-N 0 0 434.878 3.065 20 30 IGEDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1c(C#N)c(Cl)nc2cccc(C)c21 ZINC001164700787 719881016 /nfs/dbraw/zinc/88/10/16/719881016.db2.gz LOSXGEFGDXULEP-HJPURHCSSA-N 0 0 442.947 3.301 20 30 IGEDRN N#Cc1ccc(C(F)(F)N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@@H]3C2)nc1Cl ZINC001164833529 720497324 /nfs/dbraw/zinc/49/73/24/720497324.db2.gz PRJZXSAJWSQYOZ-GVDBMIGSSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@@H]2C1 ZINC001164830607 720501616 /nfs/dbraw/zinc/50/16/16/720501616.db2.gz CDCLRMYLWDGAGZ-LZLYRXPVSA-N 0 0 438.906 3.395 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001164855199 720817993 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430.850 3.160 20 30 IGEDRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164897967 721501082 /nfs/dbraw/zinc/50/10/82/721501082.db2.gz PEVSXHYWBUKKOT-HNNXBMFYSA-N 0 0 426.895 3.299 20 30 IGEDRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164895300 721501193 /nfs/dbraw/zinc/50/11/93/721501193.db2.gz BOHOTNGJBWRQBR-MRXNPFEDSA-N 0 0 426.895 3.299 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164798216 721557192 /nfs/dbraw/zinc/55/71/92/721557192.db2.gz AZIUWJKDVRNCGQ-GGPKGHCWSA-N 0 0 433.890 3.415 20 30 IGEDRN COc1cc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)c(C#N)c(Cl)n1 ZINC001165016424 721771018 /nfs/dbraw/zinc/77/10/18/721771018.db2.gz PRKWFQGUXUPESN-SWLSCSKDSA-N 0 0 436.846 3.494 20 30 IGEDRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164921715 721836180 /nfs/dbraw/zinc/83/61/80/721836180.db2.gz FHTXBEJYXQLLAK-BEFAXECRSA-N 0 0 434.878 3.206 20 30 IGEDRN COc1cc(OC)nc(CN2CCN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC2)n1 ZINC001165029138 721851951 /nfs/dbraw/zinc/85/19/51/721851951.db2.gz GSVVONMHCQXNDR-UHFFFAOYSA-N 0 0 438.919 3.198 20 30 IGEDRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]2c2ccccc21 ZINC001164976653 722090041 /nfs/dbraw/zinc/09/00/41/722090041.db2.gz SFHWAMQJXSYFCZ-ZFWWWQNUSA-N 0 0 438.887 3.151 20 30 IGEDRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]2c2ccccc21 ZINC001164974895 722090074 /nfs/dbraw/zinc/09/00/74/722090074.db2.gz OFAYWFKZDOZYAU-MLGOLLRUSA-N 0 0 438.887 3.151 20 30 IGEDRN Cc1cccc2nc(Cl)c(C#N)c(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)c12 ZINC001165004726 722240526 /nfs/dbraw/zinc/24/05/26/722240526.db2.gz QGOURPNFETUSNA-UHFFFAOYSA-N 0 0 447.974 3.215 20 30 IGEDRN COCCCn1c2nn(CN(CCC#N)CC(C)C)c(=S)n2c2ccccc2c1=O ZINC000057995751 523502427 /nfs/dbraw/zinc/50/24/27/523502427.db2.gz OHJSLZJPGSACCV-UHFFFAOYSA-N 0 0 428.562 3.046 20 30 IGEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)COCC(=O)N4)cnc2Cl)c1 ZINC001164424032 718936756 /nfs/dbraw/zinc/93/67/56/718936756.db2.gz NBPCXDPYTJIEOO-UHFFFAOYSA-N 0 0 432.858 3.304 20 30 IGEDRN COc1cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164651265 719299564 /nfs/dbraw/zinc/29/95/64/719299564.db2.gz LNVRUDZJGYZZOA-HONMWMINSA-N 0 0 425.823 3.208 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4nccc(Cl)n4)C3)C2)n1 ZINC001164665854 719358216 /nfs/dbraw/zinc/35/82/16/719358216.db2.gz ZGGAQZOXCRAJNY-IBGZPJMESA-N 0 0 434.878 3.065 20 30 IGEDRN Cn1ncc2c1CN(C(F)(F)c1ccnc(Cl)c1C#N)C[C@@H]2COc1cccnc1 ZINC001164684891 719595168 /nfs/dbraw/zinc/59/51/68/719595168.db2.gz KSDQSKRFZVQBTN-CYBMUJFWSA-N 0 0 430.846 3.463 20 30 IGEDRN COc1cc(C(F)(F)N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c(C#N)c(Cl)n1 ZINC001164696806 719825961 /nfs/dbraw/zinc/82/59/61/719825961.db2.gz KRXQLRWYSZQYAM-ZDUSSCGKSA-N 0 0 437.878 3.437 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)cc(Cl)n1 ZINC001164835088 720500190 /nfs/dbraw/zinc/50/01/90/720500190.db2.gz 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IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001164887458 721349881 /nfs/dbraw/zinc/34/98/81/721349881.db2.gz UMIISKZECMFJJP-FUHWJXTLSA-N 0 0 432.858 3.129 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001164886054 721454837 /nfs/dbraw/zinc/45/48/37/721454837.db2.gz GGNVSDIIIORPIJ-RDBSUJKOSA-N 0 0 431.270 3.067 20 30 IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164789925 721475065 /nfs/dbraw/zinc/47/50/65/721475065.db2.gz PDZXWZDHCPHCEE-UHFFFAOYSA-N 0 0 430.850 3.160 20 30 IGEDRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164896687 721500668 /nfs/dbraw/zinc/50/06/68/721500668.db2.gz JHKLUGMFIQGCDG-MRXNPFEDSA-N 0 0 426.895 3.299 20 30 IGEDRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164897524 721501673 /nfs/dbraw/zinc/50/16/73/721501673.db2.gz NFBQWDBMAWFZQQ-MRXNPFEDSA-N 0 0 426.895 3.299 20 30 IGEDRN COc1cc(C(F)(F)N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c(C#N)c(Cl)n1 ZINC001164899409 721504204 /nfs/dbraw/zinc/50/42/04/721504204.db2.gz YGHGHUIESMNGSA-CQSZACIVSA-N 0 0 447.873 3.198 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164803070 721545302 /nfs/dbraw/zinc/54/53/02/721545302.db2.gz HVEKRCCQICVIQD-NLWGTHIKSA-N 0 0 433.890 3.415 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164802950 721557274 /nfs/dbraw/zinc/55/72/74/721557274.db2.gz IWZROHQPNSCKFN-YQVWRLOYSA-N 0 0 433.890 3.415 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccncc3)ccc2C#N)[C@H]2CCCO[C@H]12 ZINC001164801428 721575317 /nfs/dbraw/zinc/57/53/17/721575317.db2.gz GNKBHNDILSHKNT-VXNXHJTFSA-N 0 0 426.524 3.278 20 30 IGEDRN COCCN1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]2C1=O ZINC001164901353 721577265 /nfs/dbraw/zinc/57/72/65/721577265.db2.gz FFTNBGBMCNSNNQ-VQIMIIECSA-N 0 0 446.885 3.360 20 30 IGEDRN COCCN1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)C[C@H]2C1=O ZINC001164901351 721577313 /nfs/dbraw/zinc/57/73/13/721577313.db2.gz FFTNBGBMCNSNNQ-QFBILLFUSA-N 0 0 446.885 3.360 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164922655 721835333 /nfs/dbraw/zinc/83/53/33/721835333.db2.gz HMYDOFCXJUQKPL-LIRRHRJNSA-N 0 0 434.878 3.206 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164921357 721835748 /nfs/dbraw/zinc/83/57/48/721835748.db2.gz DOOFYYPYSCDIQX-QFBILLFUSA-N 0 0 434.878 3.206 20 30 IGEDRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164921354 721835818 /nfs/dbraw/zinc/83/58/18/721835818.db2.gz DOOFYYPYSCDIQX-APWZRJJASA-N 0 0 434.878 3.206 20 30 IGEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C[C@H]21 ZINC001164942681 721936951 /nfs/dbraw/zinc/93/69/51/721936951.db2.gz MNNUUCLXQQHXPR-TUACAJSNSA-N 0 0 444.539 3.135 20 30 IGEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001164973569 722088762 /nfs/dbraw/zinc/08/87/62/722088762.db2.gz KZTFDLFAVDWLLC-UHFFFAOYSA-N 0 0 439.257 3.052 20 30 IGEDRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(C#N)c3)C[C@H]2c2ccccc21 ZINC001164971325 722090046 /nfs/dbraw/zinc/09/00/46/722090046.db2.gz BFVUTDJNHLZLEN-CZUORRHYSA-N 0 0 438.887 3.151 20 30 IGEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC)CCO2 ZINC001164980189 722166611 /nfs/dbraw/zinc/16/66/11/722166611.db2.gz WZIRGYDFTRYOIO-KUHUBIRLSA-N 0 0 445.894 3.430 20 30 IGEDRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164992970 722187492 /nfs/dbraw/zinc/18/74/92/722187492.db2.gz WUSMROSUGFOMPY-MRXNPFEDSA-N 0 0 426.895 3.253 20 30 IGEDRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164989685 722187613 /nfs/dbraw/zinc/18/76/13/722187613.db2.gz IYEUZUCBWKTQTK-INIZCTEOSA-N 0 0 426.895 3.253 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001165008128 722265025 /nfs/dbraw/zinc/26/50/25/722265025.db2.gz VKILNDVMLSDVHY-HXUWFJFHSA-N 0 0 449.864 3.218 20 30 IGEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(-c3ccncc3)ccc1C#N)C2 ZINC001165006440 722267717 /nfs/dbraw/zinc/26/77/17/722267717.db2.gz JDVFYUBAGJLOIE-VWLOTQADSA-N 0 0 442.498 3.082 20 30 IGEDRN C=CCn1c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n2c2ccccc2c1=O ZINC000003256994 519274308 /nfs/dbraw/zinc/27/43/08/519274308.db2.gz ULWSXCUQLUUZNE-OAHLLOKOSA-N 0 0 431.521 3.300 20 30 IGEDRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000008881179 562965727 /nfs/dbraw/zinc/96/57/27/562965727.db2.gz CGJAKPZCNCKKII-UHFFFAOYSA-N 0 0 448.445 3.302 20 30 IGEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN([C@H](F)Oc4ccnc(Cl)c4)C3)C2)n1 ZINC001164664664 719358487 /nfs/dbraw/zinc/35/84/87/719358487.db2.gz QJXGEGPCKDTQQK-SFTDATJTSA-N 0 0 431.899 3.253 20 30 IGEDRN Cc1cc(C(F)(F)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)c(Cl)nn1 ZINC001164664217 719358890 /nfs/dbraw/zinc/35/88/90/719358890.db2.gz MBNOIYTVSAHAFQ-FQEVSTJZSA-N 0 0 448.905 3.373 20 30 IGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2OCC[C@@]2(C(=O)Nc2cccnc2)C1 ZINC001164729593 720498468 /nfs/dbraw/zinc/49/84/68/720498468.db2.gz RUOLKJPGJCIBQD-QFBILLFUSA-N 0 0 433.846 3.171 20 30 IGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCCC2)C1 ZINC001164830609 720501297 /nfs/dbraw/zinc/50/12/97/720501297.db2.gz CDCLRMYLWDGAGZ-NUJGCVRESA-N 0 0 438.906 3.395 20 30 IGEDRN COc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c(C#N)c(Cl)n1 ZINC001164768623 721053190 /nfs/dbraw/zinc/05/31/90/721053190.db2.gz ISNQJECIOOVVGX-IAGOWNOFSA-N 0 0 447.873 3.243 20 30 IGEDRN COc1cc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)c(C#N)c(Cl)n1 ZINC001164873516 721219987 /nfs/dbraw/zinc/21/99/87/721219987.db2.gz RUHAYIZUJJJXBL-UHFFFAOYSA-N 0 0 449.889 3.431 20 30 IGEDRN Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)CC2=O)cn1 ZINC001164887951 721370028 /nfs/dbraw/zinc/37/00/28/721370028.db2.gz SKHAGBWSADKTOS-QGZVFWFLSA-N 0 0 441.269 3.172 20 30 IGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)CC2 ZINC001164787993 721446436 /nfs/dbraw/zinc/44/64/36/721446436.db2.gz YDGNNNJSJDSEMC-UHFFFAOYSA-N 0 0 426.851 3.065 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164798166 721569003 /nfs/dbraw/zinc/56/90/03/721569003.db2.gz AMWOEEQEZBUQSQ-VSKRKVRLSA-N 0 0 448.571 3.201 20 30 IGEDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800092 721589129 /nfs/dbraw/zinc/58/91/29/721589129.db2.gz BTCUMUSZNRRMHB-CQOQZXRMSA-N 0 0 444.495 3.278 20 30 IGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165020121 721779881 /nfs/dbraw/zinc/77/98/81/721779881.db2.gz LUABVPFBEUGCRS-LNLFQRSKSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165015933 721780868 /nfs/dbraw/zinc/78/08/68/721780868.db2.gz BXGJLHNJZPYTLH-JZXOWHBKSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCCCn2cccn2)c1 ZINC001165024258 721780891 /nfs/dbraw/zinc/78/08/91/721780891.db2.gz VJKJSCLDLRBQLH-GJYPPUQNSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@@H](OCCCn3cccn3)CC[C@@H]21 ZINC001165024962 721781278 /nfs/dbraw/zinc/78/12/78/721781278.db2.gz ZONVFIOGYGSQHK-LNLFQRSKSA-N 0 0 437.878 3.191 20 30 IGEDRN N#Cc1cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc2ccc(Cl)cc12 ZINC001164914973 721798862 /nfs/dbraw/zinc/79/88/62/721798862.db2.gz SISBQZDVVPOQLB-XMMPIXPASA-N 0 0 449.942 3.263 20 30 IGEDRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164923408 721836166 /nfs/dbraw/zinc/83/61/66/721836166.db2.gz KDVZJSSOYYPLQO-HNAYVOBHSA-N 0 0 434.878 3.206 20 30 IGEDRN N#Cc1nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c(Cl)cc1Cl ZINC001164946407 721980743 /nfs/dbraw/zinc/98/07/43/721980743.db2.gz FDZSQBIDDVORKU-UHFFFAOYSA-N 0 0 430.339 3.231 20 30 IGEDRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]2c2ccccc21 ZINC001164973536 722090076 /nfs/dbraw/zinc/09/00/76/722090076.db2.gz KSFFTECGKFKKMW-ZFWWWQNUSA-N 0 0 438.887 3.151 20 30 IGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1 ZINC001165001457 722249207 /nfs/dbraw/zinc/24/92/07/722249207.db2.gz RLGGYCXSGAFHRA-LJQANCHMSA-N 0 0 436.846 3.256 20 30 IGEDRN N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cnc1Cl ZINC001165002125 722249216 /nfs/dbraw/zinc/24/92/16/722249216.db2.gz WRADJDRYBGLTPP-LJQANCHMSA-N 0 0 436.846 3.256 20 30 IGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC001165001133 722249440 /nfs/dbraw/zinc/24/94/40/722249440.db2.gz MQOODZYCICKRJN-LJQANCHMSA-N 0 0 436.846 3.256 20 30 IGEDRN